| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 31.3 | Very low | 27.9 | Very low | 247 Ų | 247 | 179.4 Ų | 179.4 | 100% | 1.217 | 87% | 0.865 | S | S | * | * | 0 | 124.4 | 0 | -74.2 | -179.9 | -165.4 | 0 | 0 | 109 | |||||
| 2 | S | 31 | Very low | 28.7 | Very low | 118 Ų | 118 | 172.8 Ų | 172.8 | 83% | 0.825 | 85% | 0.847 | S | S | * | * | trans | 30.3 | 110.3 | 165 | -150.8 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 3 | Q | 24.7 | Very low | 28.6 | Very low | 161 Ų | 161 | 174.2 Ų | 174.2 | 75% | 0.752 | 85% | 0.851 | S | S | * | * | trans | -19.9 | 136.3 | 145.3 | -61.4 | 170.3 | -2.4 | 0 | 0 | 116.9 | ||||
| 4 | K | 32.3 | Very low | 28.8 | Very low | 215 Ų | 215 | 179.6 Ų | 179.6 | 94% | 0.935 | 86% | 0.858 | S | S | * | * | trans | -140.9 | 100.9 | 136 | -93.6 | -175.3 | -178.1 | 173.3 | 0 | 110.3 | ||||
| 5 | R | 24.7 | Very low | 29.1 | Very low | 220 Ų | 220 | 175.4 Ų | 175.4 | 83% | 0.83 | 84% | 0.842 | S | S | * | * | trans | -63.3 | 137.8 | 162.6 | -75.4 | 171.3 | 164.6 | 170.3 | -5.8 | 109.8 | ||||
| 6 | K | 30.1 | Very low | 29.5 | Very low | 212 Ų | 212 | 172.9 Ų | 172.9 | 92% | 0.922 | 84% | 0.844 | S | S | * | * | trans | -137.4 | 130.3 | 145.6 | -111.4 | -177.5 | 179.9 | -178.4 | 0 | 109.3 | ||||
| 7 | I | 26.1 | Very low | 29.4 | Very low | 145 Ų | 145 | 167.9 Ų | 167.9 | 74% | 0.744 | 83% | 0.831 | S | S | * | * | trans | -79.8 | 126.3 | -167.2 | -69.3 | 154.5 | 0 | 0 | 0 | 109.1 | R9 | I7-R9 HydrophobicContact CG2-CG 4.27Š| ||
| 8 | L | 27.4 | Very low | 29.6 | Very low | 176 Ų | 176 | 167.1 Ų | 167.1 | 92% | 0.921 | 83% | 0.829 | S | S | * | * | trans | -93.8 | 115.2 | 162.8 | -88.3 | 157.2 | 0 | 0 | 0 | 107.9 | ||||
| 9 | R | 26.7 | Very low | 29.6 | Very low | 227 Ų | 227 | 169.4 Ų | 169.4 | 86% | 0.857 | 83% | 0.834 | S | S | * | * | trans | -79.5 | 142.1 | 173.6 | -78.4 | -177.6 | 171.7 | -178.8 | -2.8 | 110.1 | I7 | I7-R9 HydrophobicContact CG2-CG 4.27Š| ||
| 10 | S | 23.1 | Very low | 29.6 | Very low | 103 Ų | 103 | 172.5 Ų | 172.5 | 72% | 0.72 | 84% | 0.836 | S | S | * | * | trans | -64.6 | 148.4 | 168.1 | 47.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 11 | N | 29.7 | Very low | 29.6 | Very low | 149 Ų | 149 | 170 Ų | 170 | 80% | 0.797 | 83% | 0.834 | S | S | * | * | trans | 146.8 | 157.5 | 140.1 | -93.8 | 7.6 | 0 | 0 | 0 | 112.8 | ||||
| 12 | P | 37.1 | Very low | 29.6 | Very low | 100 Ų | 100 | 168.3 Ų | 168.3 | 65% | 0.649 | 81% | 0.814 | S | S | * | * | -129.7 | 174.8 | -69.2 | 27.5 | -4 | 0 | 0 | 0 | 112.1 | |||||
| 13 | E | 27.1 | Very low | 29.4 | Very low | 191 Ų | 191 | 169.6 Ų | 169.6 | 89% | 0.893 | 81% | 0.811 | S | S | * | * | trans | 38.4 | 99.7 | 154.1 | -66.4 | 178.1 | 175.8 | 0 | 0 | 118.8 | ||||
| 14 | R | 31.9 | Very low | 29.9 | Very low | 251 Ų | 251 | 170.6 Ų | 170.6 | 95% | 0.947 | 81% | 0.809 | S | S | * | * | trans | -113.7 | 117.1 | 160.4 | -82.8 | -174.2 | 176.7 | -176.6 | -0 | 110.3 | ||||
| 15 | D | 33.6 | Very low | 29.9 | Very low | 116 Ų | 116 | 166.5 Ų | 166.5 | 62% | 0.62 | 80% | 0.797 | S | S | * | * | trans | -54.6 | 130.1 | 173.1 | -175.1 | -28.4 | 0 | 0 | 0 | 111.9 | S17 | D15-S17 VanDerWaalsContact C-N 3.28Å; D15-S17 PolarHBondContact O-N 2.74Å; D15-S17 WeakPolarHBondContact OD1-CB 3.04Å; D15-S17 PolarHBondContact OD1-N 3.39Å; D15-S17 PolarHBondContact OD1-OG 3.08Å | ||
| 16 | P | 34.9 | Very low | 30.1 | Very low | 135 Ų | 135 | 163.9 Ų | 163.9 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | 8.7 | -177 | 19.2 | -12.9 | 0 | 0 | 0 | 115.8 | ||
| 17 | S | 28.9 | Very low | 30.3 | Very low | 88 Ų | 88 | 160.2 Ų | 160.2 | 62% | 0.615 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | 1 | -173.5 | 61.3 | 0 | 0 | 0 | 0 | 117.1 | D15 | D15-S17 VanDerWaalsContact C-N 3.28Å; D15-S17 PolarHBondContact O-N 2.74Å; D15-S17 WeakPolarHBondContact OD1-CB 3.04Å; D15-S17 PolarHBondContact OD1-N 3.39Å; D15-S17 PolarHBondContact OD1-OG 3.08Å |
| 18 | L | 32.1 | Very low | 30.5 | Very low | 154 Ų | 154 | 160.1 Ų | 160.1 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | trans | -110.8 | 87.3 | -179.9 | -71.4 | 166.9 | 0 | 0 | 0 | 112.5 | R20 | L18-R20 PolarHBondContact O-N 3.01Š| ||
| 19 | K | 29.9 | Very low | 30.7 | Very low | 211 Ų | 211 | 159 Ų | 159 | 92% | 0.917 | 79% | 0.785 | S | S | * | * | trans | -66.8 | 95.4 | 162.3 | -74.5 | -176.5 | 178.5 | -180 | 0 | 108.9 | ||||
| 20 | R | 28.6 | Very low | 31.1 | Very low | 230 Ų | 230 | 155 Ų | 155 | 87% | 0.868 | 78% | 0.781 | S | S | * | * | trans | -69.1 | 145.1 | 161.9 | -79.8 | -173.3 | 175.4 | -170.4 | -2.3 | 109.4 | L18 | L18-R20 PolarHBondContact O-N 3.01Š| ||
| 21 | P | 31.3 | Very low | 31.8 | Very low | 122 Ų | 122 | 160.4 Ų | 160.4 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | trans | -63.5 | 141.7 | 179.3 | -6.7 | 22.3 | 0 | 0 | 0 | 109.1 | D23 | P21-D23 PolarHBondContact O-N 3.42Å; P21-D23 VanDerWaalsContact O-N 3.14Å | ||
| 22 | R | 30.5 | Very low | 32.8 | Very low | 211 Ų | 211 | 157.2 Ų | 157.2 | 80% | 0.796 | 77% | 0.77 | S | S | * | * | trans | -57.3 | 115.9 | 173.9 | -81.1 | 175.3 | 166 | 167.7 | -7.2 | 108.7 | Y24 | R22-Y24 HydrophobicContact CB-CD2 4.46Å; R22-Y24 HydrophobicContact CB-CE2 4.4Å; R22-Y24 PolarHBondContact O-N 3.15Å | ||
| 23 | D | 27.3 | Very low | 33.5 | Very low | 145 Ų | 145 | 159.6 Ų | 159.6 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | trans | -60.6 | 117.8 | 161 | -105 | -38.3 | 0 | 0 | 0 | 107.3 | P21 N25 | P21-D23 PolarHBondContact O-N 3.42Å; P21-D23 VanDerWaalsContact O-N 3.14Å; D23-N25 PolarHBondContact O-N 3.28Å | ||
| 24 | Y | 34.2 | Very low | 34.9 | Very low | 182 Ų | 182 | 153.8 Ų | 153.8 | 71% | 0.714 | 75% | 0.751 | S | S | * | * | trans | -91.8 | 44.2 | 174.6 | -92.4 | -87.6 | 0 | 0 | 0 | 110.4 | R22 | R22-Y24 HydrophobicContact CB-CD2 4.46Å; R22-Y24 HydrophobicContact CB-CE2 4.4Å; R22-Y24 PolarHBondContact O-N 3.15Å | ||
| 25 | N | 31.9 | Very low | 36.3 | Very low | 128 Ų | 128 | 142.8 Ų | 142.8 | 68% | 0.684 | 71% | 0.712 | S | S | * | * | trans | -121.3 | 81.6 | 176 | -70.4 | -15.8 | 0 | 0 | 0 | 107.6 | D23 | D23-N25 PolarHBondContact O-N 3.28Š| ||
| 26 | D | 29.2 | Very low | 37.7 | Very low | 165 Ų | 165 | 143.7 Ų | 143.7 | 88% | 0.882 | 72% | 0.717 | S | S | * | * | trans | 175.8 | 49.7 | 158.2 | -85.8 | -17.3 | 0 | 0 | 0 | 108.9 | ||||
| 27 | I | 34.4 | Very low | 39.5 | Very low | 136 Ų | 136 | 138 Ų | 138 | 70% | 0.697 | 68% | 0.678 | S | S | * | * | trans | -108.8 | 105.7 | 159.6 | -61.6 | 175.6 | 0 | 0 | 0 | 103.9 | ||||
| 28 | D | 31.2 | Very low | 41.4 | Very low | 142 Ų | 142 | 134 Ų | 134 | 76% | 0.759 | 65% | 0.65 | S | S | * | * | trans | -45.2 | 147.4 | 168.8 | -70.2 | -55 | 0 | 0 | 0 | 110.2 | D30 | D28-D30 PolarHBondContact O-N 3.14Š| ||
| 29 | D | 31.7 | Very low | 43 | Very low | 153 Ų | 153 | 129.4 Ų | 129.4 | 82% | 0.818 | 63% | 0.628 | S | S | * | * | trans | -60.7 | 57.9 | -176.8 | -64.9 | -51.6 | 0 | 0 | 0 | 114.2 | Y31 | D29-Y31 PolarHBondContact O-N 2.78Å; D29-Y31 VanDerWaalsContact O-N 3.14Å | ||
| 30 | D | 33.9 | Very low | 45 | Very low | 143 Ų | 143 | 123 Ų | 123 | 77% | 0.765 | 60% | 0.601 | S | S | * | * | trans | -75.3 | 97.5 | 166.9 | -80.1 | -24.1 | 0 | 0 | 0 | 107.3 | D28 D32 | D28-D30 PolarHBondContact O-N 3.14Å; D30-D32 PolarHBondContact O-N 3.49Å; D30-D32 VanDerWaalsContact O-N 3.16Å | ||
| 31 | Y | 38.1 | Very low | 47 | Very low | 216 Ų | 216 | 112 Ų | 112 | 85% | 0.847 | 56% | 0.56 | S | S | * | * | trans | -41.9 | 119.3 | 169.1 | -70.3 | -98.3 | 0 | 0 | 0 | 110 | D29 E33 | D29-Y31 PolarHBondContact O-N 2.78Å; D29-Y31 VanDerWaalsContact O-N 3.14Å; Y31-E33 PolarHBondContact O-N 3.23Å | ||
| 32 | D | 50.4 | Low | 48.4 | Very low | 82 Ų | 82 | 107.4 Ų | 107.4 | 44% | 0.439 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -47.8 | 118.5 | 168.1 | -77.1 | -49.2 | 0 | 0 | 0 | 108.4 | D30 | D30-D32 PolarHBondContact O-N 3.49Å; D30-D32 VanDerWaalsContact O-N 3.16Å |
| 33 | E | 51.6 | Low | 50 | Low | 150 Ų | 150 | 102.1 Ų | 102.1 | 70% | 0.701 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -55.9 | 129.1 | 175.9 | -77.8 | -173.9 | 163 | 0 | 0 | 108.9 | Y31 T35 | Y31-E33 PolarHBondContact O-N 3.23Å; E33-T35 PolarHBondContact O-N 3.43Å |
| 34 | P | 56.8 | Low | 51.5 | Low | 70 Ų | 70 | 95.3 Ų | 95.3 | 46% | 0.455 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 135.6 | -179.6 | 22.5 | -30.7 | 0 | 0 | 0 | 110.8 | E38 V39 | P34-E38 HydrophobicContact CB-CB 3.75Å; P34-V39 HydrophobicContact CB-CG2 4.11Å; P34-V39 HydrophobicContact CG-CG2 4Å |
| 35 | T | 61 | Low | 52.3 | Low | 19 Ų | 19 | 89.8 Ų | 89.8 | 12% | 0.117 | 46% | 0.463 | C | S | . | . | P | Polyproline II helix | trans | -59.7 | 159.3 | 173.3 | 61.7 | 0 | 0 | 0 | 0 | 111.3 | E33 F37 E38 V39 G1055 | E33-T35 PolarHBondContact O-N 3.43Å; T35-F37 PolarHBondContact O-N 2.88Å; T35-E38 VanDerWaalsContact CB-OE2 3.24Å; T35-E38 WeakPolarHBondContact CB-OE2 3.4Å; T35-E38 WeakPolarHBondContact CG2-OE2 3.49Å; T35-E38 PolarHBondContact N-OE2 3.43Å; T35-E38 CarbonylContact O-C 3.54Å; T35-E38 WeakPolarHBondContact O-CA 3.47Å; T35-E38 WeakPolarHBondContact O-CB 3.39Å; T35-E38 PolarHBondContact O-N 3.19Å; T35-E38 VanDerWaalsContact OG1-CG 3.26Å; T35-E38 WeakPolarHBondContact OG1-CG 3.26Å; T35-E38 PolarHBondContact OG1-N 2.98Å; T35-E38 PolarHBondContact OG1-OE2 2.93Å; T35-V39 WeakPolarHBondContact O-CG2 3.27Å; T35-V39 PolarHBondContact O-N 3.38Å; T35-G1055 WeakPolarHBondContact CG2-O 3.44Å |
| 36 | D | 63 | Low | 53.1 | Low | 135 Ų | 135 | 92 Ų | 92 | 72% | 0.722 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -51 | -33.9 | 175 | -77.5 | -12.4 | 0 | 0 | 0 | 113 | H40 | D36-H40 WeakPolarHBondContact O-CB 3.09Å; D36-H40 PolarHBondContact O-N 2.68Å |
| 37 | F | 73.9 | Confident | 53.9 | Low | 16 Ų | 16 | 90.9 Ų | 90.9 | 7% | 0.07 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -73.4 | -39.2 | 175.6 | 174.3 | -122.1 | 0 | 0 | 0 | 112.4 | T35 H40 L41 M327 V505 L508 K509 Y512 | T35-F37 PolarHBondContact O-N 2.88Å; F37-H40 CarbonylContact O-C 3.53Å; F37-H40 WeakPolarHBondContact O-CB 3.39Å; F37-H40 PolarHBondContact O-N 2.81Å; F37-L41 HydrophobicContact CD1-CD1 3.99Å; F37-L41 HydrophobicContact CD2-CG 4.37Å; F37-L41 HydrophobicContact CE1-CD1 3.52Å; F37-L41 HydrophobicContact CE1-CG 4.22Å; F37-L41 HydrophobicContact CE2-CD1 4.16Å; F37-L41 HydrophobicContact CE2-CD2 4.19Å; F37-L41 HydrophobicContact CE2-CG 3.94Å; F37-L41 HydrophobicContact CZ-CD1 3.62Å; F37-L41 HydrophobicContact CZ-CD2 4.05Å; F37-L41 HydrophobicContact CZ-CG 3.88Å; F37-L41 WeakPolarHBondContact O-CG 3.45Å; F37-L41 PolarHBondContact O-N 2.87Å; F37-M327 HydrophobicContact CZ-CE 4.17Å; F37-V505 HydrophobicContact CD1-CG1 4.07Å; F37-V505 HydrophobicContact CE1-CG1 4.49Å; F37-L508 HydrophobicContact CE1-CB 4.04Å; F37-L508 HydrophobicContact CZ-CB 4.3Å; F37-K509 HydrophobicContact CB-CD 4.22Å; F37-K509 HydrophobicContact CD1-CB 4.26Å; F37-K509 HydrophobicContact CD1-CD 3.87Å; F37-K509 HydrophobicContact CD2-CD 3.67Å; F37-K509 HydrophobicContact CE1-CB 4.01Å; F37-K509 HydrophobicContact CE1-CD 4.11Å; F37-K509 HydrophobicContact CE2-CD 3.93Å; F37-K509 HydrophobicContact CG-CD 3.63Å; F37-K509 HydrophobicContact CZ-CB 4.41Å; F37-K509 HydrophobicContact CZ-CD 4.13Å; F37-Y512 HydrophobicContact CD2-CD1 4.11Å; F37-Y512 HydrophobicContact CD2-CE1 4.38Å; F37-Y512 AromaticContact CE2-CD1 3.42Å; F37-Y512 HydrophobicContact CE2-CD1 3.42Å; F37-Y512 VanDerWaalsContact CE2-CD1 3.42Å; F37-Y512 AromaticContact CE2-CE1 3.97Å; F37-Y512 HydrophobicContact CE2-CE1 3.97Å; F37-Y512 AromaticContact CE2-CG 3.92Å; F37-Y512 HydrophobicContact CE2-CG 3.92Å; F37-Y512 HydrophobicContact CZ-CD1 4.29Å; F37-Y512 HydrophobicContact CZ-CG 4.43Å |
| 38 | E | 68.6 | Low | 54.4 | Low | 4 Ų | 4 | 87.8 Ų | 87.8 | 2% | 0.019 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -68.4 | -38 | 174.4 | -71.3 | 165.4 | 117.5 | 0 | 0 | 111.9 | P34 T35 H40 L41 A42 R501 V505 | P34-E38 HydrophobicContact CB-CB 3.75Å; T35-E38 VanDerWaalsContact CB-OE2 3.24Å; T35-E38 WeakPolarHBondContact CB-OE2 3.4Å; T35-E38 WeakPolarHBondContact CG2-OE2 3.49Å; T35-E38 PolarHBondContact N-OE2 3.43Å; T35-E38 CarbonylContact O-C 3.54Å; T35-E38 WeakPolarHBondContact O-CA 3.47Å; T35-E38 WeakPolarHBondContact O-CB 3.39Å; T35-E38 PolarHBondContact O-N 3.19Å; T35-E38 VanDerWaalsContact OG1-CG 3.26Å; T35-E38 WeakPolarHBondContact OG1-CG 3.26Å; T35-E38 PolarHBondContact OG1-N 2.98Å; T35-E38 PolarHBondContact OG1-OE2 2.93Å; E38-H40 VanDerWaalsContact C-N 3.25Å; E38-H40 PolarHBondContact O-N 3.03Å; E38-L41 CarbonylContact O-C 3.44Å; E38-L41 WeakPolarHBondContact O-CB 3.29Å; E38-L41 PolarHBondContact O-N 3.22Å; E38-L41 VanDerWaalsContact O-N 3.15Å; E38-A42 VanDerWaalsContact O-CB 3.3Å; E38-A42 WeakPolarHBondContact O-CB 3.26Å; E38-A42 PolarHBondContact O-N 3.07Å; E38-R501 IonicContact OE1-CZ 3.05Å; E38-R501 IonicContact OE1-NH1 3.62Å; E38-R501 PolarHBondContact OE1-NH1 3.03Å; E38-R501 IonicContact OE1-NH2 3.83Å; E38-R501 PolarHBondContact OE1-NH2 3.19Å; E38-V505 HydrophobicContact CG-CG1 4.26Å; E38-V505 HydrophobicContact CG-CG2 4.34Å |
| 39 | V | 66.2 | Low | 54.9 | Low | 57 Ų | 57 | 82.5 Ų | 82.5 | 35% | 0.345 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -59.2 | -41.8 | 169.1 | 174.7 | 0 | 0 | 0 | 0 | 110 | P34 T35 A42 N43 | P34-V39 HydrophobicContact CB-CG2 4.11Å; P34-V39 HydrophobicContact CG-CG2 4Å; T35-V39 WeakPolarHBondContact O-CG2 3.27Å; T35-V39 PolarHBondContact O-N 3.38Å; V39-A42 PolarHBondContact O-N 3.24Å; V39-N43 WeakPolarHBondContact O-CB 3.08Å; V39-N43 PolarHBondContact O-N 3.33Å; V39-N43 PolarHBondContact O-ND2 2.74Å; V39-N43 PolarHBondContact O-OD1 3.19Å |
| 40 | H | 71.9 | Confident | 55.5 | Low | 76 Ų | 76 | 77 Ų | 77 | 35% | 0.352 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.4 | -35.9 | 175 | -162.2 | -74.4 | 0 | 0 | 0 | 112.8 | D36 F37 E38 F44 Y512 | D36-H40 WeakPolarHBondContact O-CB 3.09Å; D36-H40 PolarHBondContact O-N 2.68Å; F37-H40 CarbonylContact O-C 3.53Å; F37-H40 WeakPolarHBondContact O-CB 3.39Å; F37-H40 PolarHBondContact O-N 2.81Å; E38-H40 VanDerWaalsContact C-N 3.25Å; E38-H40 PolarHBondContact O-N 3.03Å; H40-F44 AromaticContact CE1-CE1 3.3Å; H40-F44 WeakPolarHBondContact CE1-CE1 3.49Å; H40-F44 AromaticContact CE1-CE2 4Å; H40-F44 AromaticContact CE1-CZ 3.08Å; H40-F44 WeakPolarHBondContact CE1-CZ 3.15Å; H40-F44 AromaticContact ND1-CE1 3.46Å; H40-F44 WeakPolarHBondContact ND1-CE1 3.43Å; H40-F44 AromaticContact ND1-CE2 3.46Å; H40-F44 WeakPolarHBondContact ND1-CE2 3.39Å; H40-F44 AromaticContact ND1-CZ 3.01Å; H40-F44 WeakPolarHBondContact ND1-CZ 3.1Å; H40-F44 WeakPolarHBondContact O-CD2 3.3Å; H40-F44 WeakPolarHBondContact O-CE2 3.43Å; H40-F44 VanDerWaalsContact O-CG 3.28Å; H40-F44 WeakPolarHBondContact O-CG 2.97Å; H40-Y512 PolarHBondContact CE1-OH 2.75Å; H40-Y512 VanDerWaalsContact CE1-OH 3.25Å |
| 41 | L | 69 | Low | 55.9 | Low | 0 Ų | 0 | 76.6 Ų | 76.6 | 0% | 0 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -67.9 | -40.8 | 173.2 | -75.3 | 169.5 | 0 | 0 | 0 | 111.7 | F37 E38 F44 M327 R339 G352 | F37-L41 HydrophobicContact CD1-CD1 3.99Å; F37-L41 HydrophobicContact CD2-CG 4.37Å; F37-L41 HydrophobicContact CE1-CD1 3.52Å; F37-L41 HydrophobicContact CE1-CG 4.22Å; F37-L41 HydrophobicContact CE2-CD1 4.16Å; F37-L41 HydrophobicContact CE2-CD2 4.19Å; F37-L41 HydrophobicContact CE2-CG 3.94Å; F37-L41 HydrophobicContact CZ-CD1 3.62Å; F37-L41 HydrophobicContact CZ-CD2 4.05Å; F37-L41 HydrophobicContact CZ-CG 3.88Å; F37-L41 WeakPolarHBondContact O-CG 3.45Å; F37-L41 PolarHBondContact O-N 2.87Å; E38-L41 CarbonylContact O-C 3.44Å; E38-L41 WeakPolarHBondContact O-CB 3.29Å; E38-L41 PolarHBondContact O-N 3.22Å; E38-L41 VanDerWaalsContact O-N 3.15Å; L41-F44 HydrophobicContact CD2-CD2 4.3Å; L41-F44 HydrophobicContact CD2-CE2 4.31Å; L41-F44 WeakPolarHBondContact O-CB 3.15Å; L41-F44 PolarHBondContact O-N 3.24Å; L41-M327 HydrophobicContact CD2-CE 4.17Å; L41-R339 HydrophobicContact CD2-CG 4.44Å; L41-R339 PolarHBondContact O-NH1 3.16Å; L41-G352 WeakPolarHBondContact O-CA 3.37Å |
| 42 | A | 60.7 | Low | 56.2 | Low | 26 Ų | 26 | 73.9 Ų | 73.9 | 22% | 0.215 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -66.3 | -43.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | E38 V39 F44 E45 V351 | E38-A42 VanDerWaalsContact O-CB 3.3Å; E38-A42 WeakPolarHBondContact O-CB 3.26Å; E38-A42 PolarHBondContact O-N 3.07Å; V39-A42 PolarHBondContact O-N 3.24Å; A42-F44 PolarHBondContact O-N 3.31Å; A42-F44 VanDerWaalsContact O-N 3.09Å; A42-E45 WeakPolarHBondContact O-CB 3.45Å; A42-E45 PolarHBondContact O-N 3.27Å; A42-V351 HydrophobicContact CB-CB 4.26Å; A42-V351 HydrophobicContact CB-CG1 3.43Å; A42-V351 VanDerWaalsContact CB-CG1 3.43Å |
| 43 | N | 65 | Low | 55.8 | Low | 99 Ų | 99 | 73.5 Ų | 73.5 | 53% | 0.529 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.9 | -22.1 | 178.2 | -71.2 | -14.7 | 0 | 0 | 0 | 113.2 | V39 E45 | V39-N43 WeakPolarHBondContact O-CB 3.08Å; V39-N43 PolarHBondContact O-N 3.33Å; V39-N43 PolarHBondContact O-ND2 2.74Å; V39-N43 PolarHBondContact O-OD1 3.19Å; N43-E45 VanDerWaalsContact C-N 3.28Å; N43-E45 PolarHBondContact O-N 3.47Å |
| 44 | F | 59.7 | Low | 55.2 | Low | 3 Ų | 3 | 70.3 Ų | 70.3 | 1% | 0.013 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -11.6 | 175.1 | -59.9 | -40.8 | 0 | 0 | 0 | 113.7 | H40 L41 A42 N48 E335 P336 R339 Y512 | H40-F44 AromaticContact CE1-CE1 3.3Å; H40-F44 WeakPolarHBondContact CE1-CE1 3.49Å; H40-F44 AromaticContact CE1-CE2 4Å; H40-F44 AromaticContact CE1-CZ 3.08Å; H40-F44 WeakPolarHBondContact CE1-CZ 3.15Å; H40-F44 AromaticContact ND1-CE1 3.46Å; H40-F44 WeakPolarHBondContact ND1-CE1 3.43Å; H40-F44 AromaticContact ND1-CE2 3.46Å; H40-F44 WeakPolarHBondContact ND1-CE2 3.39Å; H40-F44 AromaticContact ND1-CZ 3.01Å; H40-F44 WeakPolarHBondContact ND1-CZ 3.1Å; H40-F44 WeakPolarHBondContact O-CD2 3.3Å; H40-F44 WeakPolarHBondContact O-CE2 3.43Å; H40-F44 VanDerWaalsContact O-CG 3.28Å; H40-F44 WeakPolarHBondContact O-CG 2.97Å; L41-F44 HydrophobicContact CD2-CD2 4.3Å; L41-F44 HydrophobicContact CD2-CE2 4.31Å; L41-F44 WeakPolarHBondContact O-CB 3.15Å; L41-F44 PolarHBondContact O-N 3.24Å; A42-F44 PolarHBondContact O-N 3.31Å; A42-F44 VanDerWaalsContact O-N 3.09Å; F44-N48 PolarHBondContact O-ND2 3.33Å; F44-E335 HydrophobicContact CD1-CB 4.27Å; F44-E335 HydrophobicContact CD1-CG 3.87Å; F44-E335 WeakPolarHBondContact CD1-OE1 3.38Å; F44-E335 WeakPolarHBondContact CD1-OE2 3.38Å; F44-E335 HydrophobicContact CE1-CB 4.04Å; F44-E335 HydrophobicContact CE1-CG 3.45Å; F44-E335 VanDerWaalsContact CE1-CG 3.45Å; F44-E335 VanDerWaalsContact CE1-OE1 3.24Å; F44-E335 WeakPolarHBondContact CE1-OE1 3.26Å; F44-E335 HydrophobicContact CZ-CB 4.48Å; F44-E335 HydrophobicContact CZ-CG 4.2Å; F44-P336 HydrophobicContact CE2-CG 4.49Å; F44-R339 VanDerWaalsContact CB-NH1 3.33Å; F44-R339 PolarHBondContact O-NH2 2.78Å; F44-R339 VanDerWaalsContact O-NH2 3.1Å; F44-Y512 HydrophobicContact CZ-CE2 4.42Å |
| 45 | E | 51.1 | Low | 54.6 | Low | 65 Ų | 65 | 69.9 Ų | 69.9 | 30% | 0.304 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -35.5 | 177.7 | -75.5 | -179.8 | 172.8 | 0 | 0 | 112.8 | A42 N43 D47 N48 G49 G352 | A42-E45 WeakPolarHBondContact O-CB 3.45Å; A42-E45 PolarHBondContact O-N 3.27Å; N43-E45 VanDerWaalsContact C-N 3.28Å; N43-E45 PolarHBondContact O-N 3.47Å; E45-D47 PolarHBondContact O-N 3.15Å; E45-N48 PolarHBondContact O-N 3.09Å; E45-G49 PolarHBondContact O-N 2.71Å; E45-G352 WeakPolarHBondContact OE1-CA 3.44Å; E45-G352 PolarHBondContact OE1-N 2.83Å |
| 46 | E | 48.4 | Very low | 53.7 | Low | 176 Ų | 176 | 73.6 Ų | 73.6 | 82% | 0.822 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -23.2 | -177.3 | -68.6 | -170.9 | 169.7 | 0 | 0 | 112.7 | ||
| 47 | D | 46.1 | Very low | 53.1 | Low | 140 Ų | 140 | 72 Ų | 72 | 75% | 0.749 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.3 | -15.6 | 178.4 | -89.4 | -18.4 | 0 | 0 | 0 | 115 | E45 | E45-D47 PolarHBondContact O-N 3.15Š|
| 48 | N | 45 | Very low | 51.8 | Low | 72 Ų | 72 | 72.7 Ų | 72.7 | 39% | 0.385 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.6 | -5.4 | -164.6 | -69.2 | -59.9 | 0 | 0 | 0 | 117.3 | F44 E45 I50 | F44-N48 PolarHBondContact O-ND2 3.33Å; E45-N48 PolarHBondContact O-N 3.09Å; N48-I50 VanDerWaalsContact C-N 3.33Å; N48-I50 HydrophobicContact CB-CG1 4.43Å; N48-I50 PolarHBondContact O-N 3.33Å |
| 49 | G | 41.4 | Very low | 50.5 | Low | 30 Ų | 30 | 76.3 Ų | 76.3 | 31% | 0.309 | 43% | 0.429 | S | S | . | . | trans | 60 | 31.2 | 168 | 0 | 0 | 0 | 0 | 0 | 116.5 | E45 D51 E52 | E45-G49 PolarHBondContact O-N 2.71Å; G49-D51 VanDerWaalsContact C-N 3.26Å; G49-D51 PolarHBondContact O-N 2.83Å; G49-E52 PolarHBondContact O-N 2.98Å | ||
| 50 | I | 43.8 | Very low | 49.6 | Very low | 37 Ų | 37 | 80.1 Ų | 80.1 | 19% | 0.19 | 44% | 0.443 | C | S | . | . | G | 310 helix | trans | -56.3 | -37 | -173.3 | -65.8 | 174.9 | 0 | 0 | 0 | 112.6 | N48 | N48-I50 VanDerWaalsContact C-N 3.33Å; N48-I50 HydrophobicContact CB-CG1 4.43Å; N48-I50 PolarHBondContact O-N 3.33Å |
| 51 | D | 42.5 | Very low | 48.5 | Very low | 135 Ų | 135 | 81.4 Ų | 81.4 | 72% | 0.722 | 45% | 0.449 | S | S | * | . | G | 310 helix | trans | -73.1 | -22.9 | 178.2 | -89.7 | -9.6 | 0 | 0 | 0 | 114 | G49 H53 | G49-D51 VanDerWaalsContact C-N 3.26Å; G49-D51 PolarHBondContact O-N 2.83Å; D51-H53 VanDerWaalsContact C-N 3.29Å; D51-H53 PolarHBondContact O-N 3.12Å |
| 52 | E | 43.2 | Very low | 47.8 | Very low | 159 Ų | 159 | 82.3 Ų | 82.3 | 74% | 0.743 | 46% | 0.459 | S | S | * | . | G | 310 helix | trans | -74.7 | -19.8 | -178.2 | -69.5 | -168.8 | 167.2 | 0 | 0 | 112.7 | G49 | G49-E52 PolarHBondContact O-N 2.98Š|
| 53 | H | 42 | Very low | 47.6 | Very low | 74 Ų | 74 | 82.8 Ų | 82.8 | 34% | 0.343 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -118.7 | 2.6 | -174.2 | -65 | -62.8 | 0 | 0 | 0 | 114.5 | D51 G55 E56 C71 | D51-H53 VanDerWaalsContact C-N 3.29Å; D51-H53 PolarHBondContact O-N 3.12Å; H53-G55 PolarHBondContact O-N 3.19Å; H53-E56 IonicContact CE1-OE2 3.31Å; H53-E56 IonicContact CG-OE2 3.41Å; H53-E56 IonicContact ND1-OE2 2.73Å; H53-E56 PolarHBondContact ND1-OE2 3.16Å; H53-E56 PolarHBondContact O-N 2.82Å; H53-C71 VanDerWaalsContact CB-SG 3.5Å |
| 54 | D | 39.8 | Very low | 47.1 | Very low | 84 Ų | 84 | 81 Ų | 81 | 45% | 0.449 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | 105.5 | -179.6 | -120.7 | 5 | 0 | 0 | 0 | 110.2 | Q354 | D54-Q354 PolarHBondContact OD1-NE2 3.05Å; D54-Q354 VanDerWaalsContact OD1-NE2 3.11Å |
| 55 | G | 44.1 | Very low | 46.8 | Very low | 61 Ų | 61 | 86.7 Ų | 86.7 | 63% | 0.629 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 105.4 | -3.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | H53 H57 | H53-G55 PolarHBondContact O-N 3.19Å; G55-H57 PolarHBondContact O-N 3.06Å |
| 56 | E | 43.4 | Very low | 46.8 | Very low | 97 Ų | 97 | 86.7 Ų | 86.7 | 45% | 0.453 | 48% | 0.479 | S | S | . | . | trans | -81.2 | 113.3 | 171.9 | -65.6 | -165.9 | 150.5 | 0 | 0 | 111 | H53 I70 | H53-E56 IonicContact CE1-OE2 3.31Å; H53-E56 IonicContact CG-OE2 3.41Å; H53-E56 IonicContact ND1-OE2 2.73Å; H53-E56 PolarHBondContact ND1-OE2 3.16Å; H53-E56 PolarHBondContact O-N 2.82Å; E56-I70 HydrophobicContact CB-CD1 3.71Å; E56-I70 PolarHBondContact O-N 2.79Å; E56-I70 VanDerWaalsContact O-N 3.12Å | ||
| 57 | H | 48.5 | Very low | 46.9 | Very low | 101 Ų | 101 | 84.3 Ų | 84.3 | 47% | 0.468 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 138.1 | 172.9 | -68.1 | -73.4 | 0 | 0 | 0 | 110.3 | G55 G59 E67 A68 | G55-H57 PolarHBondContact O-N 3.06Å; H57-G59 PolarHBondContact O-N 3.14Å; H57-E67 HydrophobicContact CB-CB 3.99Å; H57-E67 HydrophobicContact CB-CG 4.4Å; H57-E67 IonicContact CD2-OE2 3.95Å; H57-E67 IonicContact CG-OE2 3.5Å; H57-A68 WeakPolarHBondContact CA-O 3.48Å |
| 58 | N | 46.9 | Very low | 47.2 | Very low | 31 Ų | 31 | 77.8 Ų | 77.8 | 17% | 0.166 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 125.5 | 162.9 | -87.2 | -48.7 | 0 | 0 | 0 | 106.8 | E60 A68 I70 Q76 | N58-E60 PolarHBondContact O-N 3.26Å; N58-A68 PolarHBondContact N-O 2.84Å; N58-I70 HydrophobicContact CB-CG1 4.29Å; N58-Q76 PolarHBondContact OD1-NE2 3.03Å |
| 59 | G | 42.2 | Very low | 48 | Very low | 80 Ų | 80 | 75.1 Ų | 75.1 | 83% | 0.825 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 12.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | H57 | H57-G59 PolarHBondContact O-N 3.14Å |
| 60 | E | 47.1 | Very low | 49 | Very low | 136 Ų | 136 | 76.9 Ų | 76.9 | 64% | 0.636 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127 | 151.9 | 177.5 | -68.1 | -166.8 | 171.2 | 0 | 0 | 111.8 | N58 G62 | N58-E60 PolarHBondContact O-N 3.26Å; E60-G62 PolarHBondContact O-N 3.14Å |
| 61 | E | 49.2 | Very low | 50.4 | Low | 104 Ų | 104 | 77 Ų | 77 | 49% | 0.486 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.7 | 121.7 | -179.5 | -70.5 | 169.2 | 178.1 | 0 | 0 | 114.1 | E65 K264 | E61-E65 HydrophobicContact CG-CB 4.37Å; E61-K264 IonicContact OE2-NZ 3.91Å; E61-K264 PolarHBondContact OE2-NZ 3Å |
| 62 | G | 54 | Low | 52.4 | Low | 19 Ų | 19 | 72.1 Ų | 72.1 | 20% | 0.196 | 40% | 0.397 | C | S | . | . | trans | -69 | -172.8 | 164.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | E60 E64 E65 T66 | E60-G62 PolarHBondContact O-N 3.14Å; G62-E64 PolarHBondContact O-N 3.15Å; G62-E65 PolarHBondContact O-N 3.24Å; G62-T66 PolarHBondContact N-O 2.86Å | ||
| 63 | P | 57.4 | Low | 54.6 | Low | 36 Ų | 36 | 65.4 Ų | 65.4 | 23% | 0.234 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -3.9 | -178.5 | 21.4 | -29.6 | 0 | 0 | 0 | 115.5 | R270 R373 | P63-R270 HydrophobicContact CB-CB 4.06Å; P63-R270 PolarHBondContact O-NH1 3.25Å; P63-R373 WeakPolarHBondContact CG-O 3.23Å |
| 64 | E | 53.4 | Low | 57 | Low | 60 Ų | 60 | 62.5 Ų | 62.5 | 28% | 0.28 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.5 | 16.1 | 175.8 | -73.8 | -75.6 | -155.1 | 0 | 0 | 113.7 | G62 T66 R270 R373 | G62-E64 PolarHBondContact O-N 3.15Å; E64-T66 PolarHBondContact O-N 3.35Å; E64-T66 VanDerWaalsContact O-N 3.16Å; E64-R270 VanDerWaalsContact CD-NH2 3.29Å; E64-R270 IonicContact OE1-CZ 3.9Å; E64-R270 IonicContact OE1-NE 2.84Å; E64-R270 IonicContact OE1-NH1 3.63Å; E64-R270 PolarHBondContact OE1-NH1 2.67Å; E64-R270 IonicContact OE1-NH2 3.73Å; E64-R270 PolarHBondContact OE1-NH2 2.97Å; E64-R270 IonicContact OE2-CZ 2.73Å; E64-R270 VanDerWaalsContact OE2-CZ 3.27Å; E64-R270 IonicContact OE2-NH1 2.74Å; E64-R270 PolarHBondContact OE2-NH1 2.81Å; E64-R270 IonicContact OE2-NH2 2.69Å; E64-R270 PolarHBondContact OE2-NH2 2.95Å; E64-R270 VanDerWaalsContact OE2-NH2 3.11Å; E64-R373 HydrophobicContact CG-CB 4.33Å; E64-R373 WeakPolarHBondContact OE1-CD 3.27Å; E64-R373 IonicContact OE1-CZ 3.02Å; E64-R373 IonicContact OE1-NE 2.86Å; E64-R373 PolarHBondContact OE1-NE 3.11Å; E64-R373 IonicContact OE1-NH2 3.91Å |
| 65 | E | 52.6 | Low | 59.4 | Low | 123 Ų | 123 | 61.4 Ų | 61.4 | 58% | 0.575 | 35% | 0.353 | S | S | * | . | S | Bend | trans | 63.6 | 17.9 | -179.3 | -57.8 | 166.5 | -164.4 | 0 | 0 | 113.4 | E61 G62 | E61-E65 HydrophobicContact CG-CB 4.37Å; G62-E65 PolarHBondContact O-N 3.24Å |
| 66 | T | 53 | Low | 61.6 | Low | 65 Ų | 65 | 64.4 Ų | 64.4 | 40% | 0.399 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -111.4 | 154.8 | 175.8 | 52.4 | 0 | 0 | 0 | 0 | 111.5 | G62 E64 A68 | G62-T66 PolarHBondContact N-O 2.86Å; E64-T66 PolarHBondContact O-N 3.35Å; E64-T66 VanDerWaalsContact O-N 3.16Å; T66-A68 PolarHBondContact O-N 3.35Å |
| 67 | E | 48.9 | Very low | 63.8 | Low | 127 Ų | 127 | 63.1 Ų | 63.1 | 59% | 0.593 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -51 | 122.2 | 168.6 | -76.9 | 178 | -170.1 | 0 | 0 | 110.3 | H57 | H57-E67 HydrophobicContact CB-CB 3.99Å; H57-E67 HydrophobicContact CB-CG 4.4Å; H57-E67 IonicContact CD2-OE2 3.95Å; H57-E67 IonicContact CG-OE2 3.5Å |
| 68 | A | 53.2 | Low | 65.8 | Low | 3 Ų | 3 | 61 Ų | 61 | 3% | 0.025 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 140.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | H57 N58 T66 I70 A73 E374 | H57-A68 WeakPolarHBondContact CA-O 3.48Å; N58-A68 PolarHBondContact N-O 2.84Å; T66-A68 PolarHBondContact O-N 3.35Å; A68-I70 PolarHBondContact O-N 3.43Å; A68-A73 HydrophobicContact CB-CB 4.11Å; A68-E374 VanDerWaalsContact CA-OE1 3.28Å; A68-E374 WeakPolarHBondContact CA-OE1 3.41Å; A68-E374 HydrophobicContact CB-CG 4.1Å |
| 69 | S | 62.1 | Low | 67.8 | Low | 16 Ų | 16 | 64.4 Ų | 64.4 | 11% | 0.112 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 126.4 | 168.2 | 174.1 | 0 | 0 | 0 | 0 | 109.5 | C71 W72 A73 E374 | S69-C71 PolarHBondContact O-N 2.83Å; S69-C71 WeakPolarHBondContact OG-CB 3.38Å; S69-C71 PolarHBondContact OG-N 3.46Å; S69-W72 PolarHBondContact O-N 3.01Å; S69-W72 VanDerWaalsContact O-N 3.15Å; S69-A73 WeakPolarHBondContact O-CB 3.31Å; S69-A73 PolarHBondContact O-N 3.36Å; S69-E374 WeakPolarHBondContact CB-OE1 3.27Å; S69-E374 PolarHBondContact N-OE1 2.83Å |
| 70 | I | 61.8 | Low | 70 | Confident | 66 Ų | 66 | 61.9 Ų | 61.9 | 34% | 0.338 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -31.5 | 173.5 | -70.9 | 166.1 | 0 | 0 | 0 | 110.5 | E56 N58 A68 W72 | E56-I70 HydrophobicContact CB-CD1 3.71Å; E56-I70 PolarHBondContact O-N 2.79Å; E56-I70 VanDerWaalsContact O-N 3.12Å; N58-I70 HydrophobicContact CB-CG1 4.29Å; A68-I70 PolarHBondContact O-N 3.43Å; I70-W72 PolarHBondContact O-N 3.26Å |
| 71 | C | 72.5 | Confident | 71.7 | Confident | 40 Ų | 40 | 59 Ų | 59 | 27% | 0.27 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -30.6 | 179.9 | -52.7 | 0 | 0 | 0 | 0 | 113.7 | H53 S69 | H53-C71 VanDerWaalsContact CB-SG 3.5Å; S69-C71 PolarHBondContact O-N 2.83Å; S69-C71 WeakPolarHBondContact OG-CB 3.38Å; S69-C71 PolarHBondContact OG-N 3.46Å |
| 72 | W | 86.1 | Confident | 73.4 | Confident | 33 Ų | 33 | 61.1 Ų | 61.1 | 13% | 0.125 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | -33.4 | -173.7 | -61.5 | -11.5 | 0 | 0 | 0 | 113.7 | S69 I70 R298 I338 F342 F371 V375 | S69-W72 PolarHBondContact O-N 3.01Å; S69-W72 VanDerWaalsContact O-N 3.15Å; I70-W72 PolarHBondContact O-N 3.26Å; W72-R298 PolarHBondContact O-NH1 3.22Å; W72-I338 HydrophobicContact CB-CD1 4.16Å; W72-I338 HydrophobicContact CG-CD1 4.24Å; W72-F342 HydrophobicContact CH2-CZ 4.44Å; W72-F371 AromaticContact CD2-CD2 3.82Å; W72-F371 HydrophobicContact CD2-CD2 3.82Å; W72-F371 HydrophobicContact CD2-CE2 4.04Å; W72-F371 AromaticContact CE3-CD2 3.76Å; W72-F371 HydrophobicContact CE3-CD2 3.76Å; W72-F371 HydrophobicContact CE3-CE2 4.43Å; W72-F371 HydrophobicContact CG-CD2 4.47Å; W72-F371 HydrophobicContact CG-CE2 4.31Å; W72-F371 HydrophobicContact CH2-CD2 4.08Å; W72-F371 HydrophobicContact CZ2-CD2 4.13Å; W72-F371 HydrophobicContact CZ2-CE2 4.47Å; W72-F371 HydrophobicContact CZ3-CB 4.45Å; W72-F371 AromaticContact CZ3-CD2 3.9Å; W72-F371 HydrophobicContact CZ3-CD2 3.9Å; W72-V375 HydrophobicContact CB-CG2 4.02Å; W72-V375 HydrophobicContact CG-CG2 4.4Å |
| 73 | A | 87.8 | Confident | 75.2 | Confident | 18 Ų | 18 | 66.4 Ų | 66.4 | 15% | 0.149 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -60.9 | 155.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A68 S69 R298 | A68-A73 HydrophobicContact CB-CB 4.11Å; S69-A73 WeakPolarHBondContact O-CB 3.31Å; S69-A73 PolarHBondContact O-N 3.36Å; A73-R298 PolarHBondContact O-NH1 2.83Å; A73-R298 PolarHBondContact O-NH2 3.05Å |
| 74 | R | 92.2 | Very high | 77.1 | Confident | 12 Ų | 12 | 70 Ų | 70 | 5% | 0.045 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 155.3 | 166.4 | -76.7 | -174.3 | 178 | -87.1 | -1.6 | 110.3 | S121 D376 D378 | R74-S121 WeakPolarHBondContact CD-O 3.26Å; R74-S121 PolarHBondContact NH1-O 3.22Å; R74-S121 PolarHBondContact NH1-OG 3.31Å; R74-D376 IonicContact CZ-OD2 2.59Å; R74-D376 PolarHBondContact NE-O 3.16Å; R74-D376 IonicContact NE-OD2 3.34Å; R74-D376 PolarHBondContact NE-OD2 3.11Å; R74-D376 PolarHBondContact NH2-O 3.48Å; R74-D376 IonicContact NH2-OD2 2.75Å; R74-D378 IonicContact CZ-OD2 3.81Å; R74-D378 IonicContact NH1-OD2 2.84Å; R74-D378 IonicContact NH2-OD1 2.68Å; R74-D378 PolarHBondContact NH2-OD1 2.82Å; R74-D378 VanDerWaalsContact NH2-OD1 3.14Å; R74-D378 IonicContact NH2-OD2 3.92Å; R74-D378 PolarHBondContact NH2-OD2 3.25Å |
| 75 | P | 91.7 | Very high | 79.2 | Confident | 62 Ų | 62 | 67.4 Ų | 67.4 | 40% | 0.403 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -50.7 | 143.5 | 173.9 | -26.3 | 35.1 | 0 | 0 | 0 | 111.6 | H122 Q272 | P75-H122 PolarHBondContact O-CD2 3.06Å; P75-H122 VanDerWaalsContact O-CD2 3.29Å; P75-H122 PolarHBondContact O-NE2 3.04Å; P75-Q272 PolarHBondContact O-NE2 3.37Å |
| 76 | Q | 89 | Confident | 81.3 | Confident | 124 Ų | 124 | 62.9 Ų | 62.9 | 58% | 0.579 | 33% | 0.331 | S | S | * | . | P | Polyproline II helix | trans | -58.3 | 146.5 | 178.5 | -70.1 | -172.6 | -3.8 | 0 | 0 | 111 | N58 H122 | N58-Q76 PolarHBondContact OD1-NE2 3.03Å; Q76-H122 PolarHBondContact O-NE2 2.78Å |
| 77 | L | 90.6 | Very high | 83.5 | Confident | 69 Ų | 69 | 59.8 Ų | 59.8 | 36% | 0.361 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -74.2 | 130.7 | 176.2 | -75.6 | 177.9 | 0 | 0 | 0 | 109.8 | L80 H122 Q272 I273 | L77-L80 HydrophobicContact CD2-CD1 4.26Å; L77-H122 HydrophobicContact CD2-CB 3.87Å; L77-Q272 HydrophobicContact CD1-CB 3.86Å; L77-Q272 WeakPolarHBondContact CD1-O 3.27Å; L77-Q272 HydrophobicContact CD2-CB 4.03Å; L77-Q272 HydrophobicContact CG-CB 4.01Å; L77-I273 HydrophobicContact CD1-CG1 4.17Å; L77-I273 HydrophobicContact CD2-CD1 3.83Å; L77-I273 HydrophobicContact CD2-CG1 3.66Å |
| 78 | P | 89.9 | Confident | 85.8 | Confident | 56 Ų | 56 | 53.7 Ų | 53.7 | 36% | 0.364 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 165.2 | 164.6 | 31.1 | -33.8 | 0 | 0 | 0 | 109.9 | L80 | P78-L80 HydrophobicContact CG-CD2 3.94Å; P78-L80 WeakPolarHBondContact O-CG 3.33Å; P78-L80 PolarHBondContact O-N 3.04Å |
| 79 | D | 89.2 | Confident | 87.9 | Confident | 104 Ų | 104 | 53.6 Ų | 53.6 | 56% | 0.556 | 28% | 0.282 | S | S | * | . | trans | -59.1 | 114.1 | 167.3 | 177.1 | 21.5 | 0 | 0 | 0 | 109.9 | S81 R83 | D79-S81 WeakPolarHBondContact OD1-CB 3.44Å; D79-S81 PolarHBondContact OD1-N 3.37Å; D79-S81 PolarHBondContact OD1-OG 3.47Å; D79-R83 VanDerWaalsContact O-CD 3.25Å; D79-R83 WeakPolarHBondContact O-CD 3.37Å; D79-R83 PolarHBondContact O-NE 3.19Å | ||
| 80 | L | 87.9 | Confident | 89.5 | Confident | 26 Ų | 26 | 52.9 Ų | 52.9 | 14% | 0.136 | 28% | 0.278 | C | S | . | . | trans | -92.4 | 2.6 | -178.8 | -60.3 | 178.7 | 0 | 0 | 0 | 112.8 | L77 P78 N82 R83 I85 F261 I273 | L77-L80 HydrophobicContact CD2-CD1 4.26Å; P78-L80 HydrophobicContact CG-CD2 3.94Å; P78-L80 WeakPolarHBondContact O-CG 3.33Å; P78-L80 PolarHBondContact O-N 3.04Å; L80-N82 PolarHBondContact O-N 3.26Å; L80-R83 PolarHBondContact O-N 2.89Å; L80-I85 HydrophobicContact CB-CD1 4.28Å; L80-I85 HydrophobicContact CD1-CD1 3.89Å; L80-I85 HydrophobicContact CD2-CD1 3.91Å; L80-I85 HydrophobicContact CG-CD1 4.25Å; L80-F261 HydrophobicContact CB-CE1 4.02Å; L80-F261 HydrophobicContact CB-CE2 4.44Å; L80-F261 HydrophobicContact CB-CZ 3.58Å; L80-F261 HydrophobicContact CD1-CE1 3.89Å; L80-F261 HydrophobicContact CD1-CZ 4.25Å; L80-I273 HydrophobicContact CD1-CD1 3.59Å; L80-I273 HydrophobicContact CD1-CG1 3.69Å; L80-I273 HydrophobicContact CD1-CG2 4.49Å | ||
| 81 | S | 84.1 | Confident | 91.1 | Very high | 75 Ų | 75 | 51 Ų | 51 | 52% | 0.524 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | 124 | 178.6 | -58.7 | 0 | 0 | 0 | 0 | 111 | D79 R83 | D79-S81 WeakPolarHBondContact OD1-CB 3.44Å; D79-S81 PolarHBondContact OD1-N 3.37Å; D79-S81 PolarHBondContact OD1-OG 3.47Å; S81-R83 PolarHBondContact O-N 3.36Å; S81-R83 VanDerWaalsContact O-N 3.08Å |
| 82 | N | 85.2 | Confident | 92.3 | Very high | 150 Ų | 150 | 49.5 Ų | 49.5 | 80% | 0.802 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 19.1 | -178.2 | -60.9 | -37 | 0 | 0 | 0 | 115.5 | L80 P256 | L80-N82 PolarHBondContact O-N 3.26Å; N82-P256 VanDerWaalsContact O-CG 3.28Å; N82-P256 WeakPolarHBondContact O-CG 3.4Å |
| 83 | R | 91.4 | Very high | 92.7 | Very high | 130 Ų | 130 | 49.5 Ų | 49.5 | 49% | 0.491 | 26% | 0.26 | S | S | . | . | trans | -96.2 | 148.1 | 174.6 | -61.5 | -168.1 | -176.9 | -175.4 | 5 | 111.1 | D79 L80 S81 | D79-R83 VanDerWaalsContact O-CD 3.25Å; D79-R83 WeakPolarHBondContact O-CD 3.37Å; D79-R83 PolarHBondContact O-NE 3.19Å; L80-R83 PolarHBondContact O-N 2.89Å; S81-R83 PolarHBondContact O-N 3.36Å; S81-R83 VanDerWaalsContact O-N 3.08Å | ||
| 84 | K | 95.7 | Very high | 93.1 | Very high | 112 Ų | 112 | 52.2 Ų | 52.2 | 49% | 0.487 | 27% | 0.267 | S | S | . | . | trans | -70.1 | 145.1 | 167.4 | 65.6 | 176 | -175.7 | 172.9 | 0 | 109.4 | V86 E253 L254 | K84-V86 HydrophobicContact CD-CG2 4.05Å; K84-V86 HydrophobicContact CG-CG2 4.19Å; K84-E253 HydrophobicContact CD-CG 4.33Å; K84-E253 WeakPolarHBondContact CD-OE1 3.41Å; K84-E253 IonicContact NZ-OE1 3.68Å; K84-E253 IonicContact NZ-OE2 3.4Å; K84-L254 CarbonylContact C-O 3.56Å; K84-L254 WeakPolarHBondContact CA-O 3.15Å; K84-L254 WeakPolarHBondContact CB-O 3.3Å | ||
| 85 | I | 97.4 | Very high | 93.2 | Very high | 5 Ų | 5 | 53.1 Ų | 53.1 | 3% | 0.026 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 122.5 | 173.5 | -56.7 | -57.7 | 0 | 0 | 0 | 108.4 | L80 F87 E253 L254 F259 F261 | L80-I85 HydrophobicContact CB-CD1 4.28Å; L80-I85 HydrophobicContact CD1-CD1 3.89Å; L80-I85 HydrophobicContact CD2-CD1 3.91Å; L80-I85 HydrophobicContact CG-CD1 4.25Å; I85-F87 HydrophobicContact CG2-CD1 4.07Å; I85-E253 CarbonylContact O-C 3.57Å; I85-E253 WeakPolarHBondContact O-CA 3.31Å; I85-L254 HydrophobicContact CB-CB 4.28Å; I85-L254 HydrophobicContact CB-CD1 4.32Å; I85-L254 HydrophobicContact CB-CG 4.47Å; I85-L254 PolarHBondContact N-O 3.1Å; I85-L254 PolarHBondContact O-N 3.36Å; I85-F259 HydrophobicContact CG1-CE2 3.99Å; I85-F259 HydrophobicContact CG1-CZ 3.73Å; I85-F261 HydrophobicContact CD1-CE1 4.42Å; I85-F261 HydrophobicContact CD1-CZ 4.14Å; I85-F261 HydrophobicContact CG1-CZ 4.26Å |
| 86 | V | 98 | Very high | 93.2 | Very high | 27 Ų | 27 | 53.1 Ų | 53.1 | 16% | 0.164 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 121.5 | -179.2 | 178.9 | 0 | 0 | 0 | 0 | 108.8 | K84 T118 W251 L252 E253 W291 | K84-V86 HydrophobicContact CD-CG2 4.05Å; K84-V86 HydrophobicContact CG-CG2 4.19Å; V86-T118 WeakPolarHBondContact O-CG2 3.32Å; V86-W251 HydrophobicContact CG1-CE3 3.85Å; V86-W251 HydrophobicContact CG1-CZ3 4.35Å; V86-L252 VanDerWaalsContact CA-O 3.29Å; V86-L252 WeakPolarHBondContact CA-O 3.47Å; V86-E253 HydrophobicContact CG2-CB 4.07Å; V86-E253 HydrophobicContact CG2-CG 3.97Å; V86-W291 HydrophobicContact CG1-CH2 3.72Å; V86-W291 HydrophobicContact CG1-CZ3 3.47Å; V86-W291 VanDerWaalsContact CG1-CZ3 3.47Å |
| 87 | F | 98.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 147.6 | -175.6 | 66.3 | -80.1 | 0 | 0 | 0 | 112.1 | I85 I114 V117 T118 V124 C126 W251 L252 L254 | I85-F87 HydrophobicContact CG2-CD1 4.07Å; F87-I114 HydrophobicContact CE2-CG2 4.08Å; F87-V117 CarbonylContact C-O 3.08Å; F87-V117 WeakPolarHBondContact CA-O 3.47Å; F87-T118 HydrophobicContact CB-CG2 4.21Å; F87-V124 HydrophobicContact CB-CB 4.37Å; F87-V124 HydrophobicContact CB-CG2 3.82Å; F87-V124 HydrophobicContact CD1-CB 4.43Å; F87-V124 HydrophobicContact CD1-CG1 4Å; F87-V124 HydrophobicContact CD1-CG2 4.37Å; F87-V124 HydrophobicContact CD2-CB 4.07Å; F87-V124 HydrophobicContact CD2-CG1 4.22Å; F87-V124 HydrophobicContact CD2-CG2 4.45Å; F87-V124 HydrophobicContact CE1-CG1 4Å; F87-V124 HydrophobicContact CE2-CB 4.44Å; F87-V124 HydrophobicContact CE2-CG1 4.21Å; F87-V124 HydrophobicContact CG-CB 4.05Å; F87-V124 HydrophobicContact CG-CG1 4.1Å; F87-V124 HydrophobicContact CG-CG2 3.99Å; F87-V124 HydrophobicContact CZ-CG1 4.1Å; F87-C126 HydrophobicContact CE1-CB 4.45Å; F87-C126 HydrophobicContact CZ-CB 3.77Å; F87-W251 WeakPolarHBondContact O-CA 3.49Å; F87-L252 HydrophobicContact CD1-CB 4.37Å; F87-L252 HydrophobicContact CE1-CB 3.94Å; F87-L252 HydrophobicContact CE2-CB 4.4Å; F87-L252 HydrophobicContact CE2-CD1 3.95Å; F87-L252 HydrophobicContact CZ-CB 3.97Å; F87-L252 HydrophobicContact CZ-CD1 3.76Å; F87-L252 HydrophobicContact CZ-CG 4.42Å; F87-L252 PolarHBondContact N-O 3.15Å; F87-L252 PolarHBondContact O-N 2.95Å; F87-L254 HydrophobicContact CE1-CD1 4.15Å; F87-L254 HydrophobicContact CE1-CG 4.19Å |
| 88 | Q | 98.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 117.9 | 172 | -167 | -178.6 | 13.9 | 0 | 0 | 109.2 | G116 V117 C249 W251 A295 F297 | Q88-G116 CarbonylContact O-C 3.53Å; Q88-G116 WeakPolarHBondContact O-CA 3.36Å; Q88-V117 PolarHBondContact N-O 3.06Å; Q88-V117 PolarHBondContact O-N 3.3Å; Q88-C249 PolarHBondContact NE2-O 3Å; Q88-W251 HydrophobicContact CB-CD2 3.88Å; Q88-W251 HydrophobicContact CB-CE3 4.04Å; Q88-W251 HydrophobicContact CB-CG 4.48Å; Q88-W251 HydrophobicContact CB-CH2 4.02Å; Q88-W251 HydrophobicContact CB-CZ2 3.91Å; Q88-W251 HydrophobicContact CB-CZ3 4.11Å; Q88-W251 HydrophobicContact CG-CD2 4.42Å; Q88-W251 VanDerWaalsContact N-CE3 3.32Å; Q88-A295 HydrophobicContact CB-CB 3.8Å; Q88-F297 HydrophobicContact CB-CZ 4.17Å; Q88-F297 HydrophobicContact CG-CZ 4.07Å |
| 89 | K | 97.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 139.9 | 173.5 | 162.9 | -176.7 | 175.3 | -74.5 | 0 | 110.6 | V92 I114 Y115 M246 C249 C250 L252 C537 | K89-V92 HydrophobicContact CD-CG2 4.15Å; K89-I114 HydrophobicContact CB-CG2 4.05Å; K89-I114 HydrophobicContact CD-CG2 4.02Å; K89-I114 HydrophobicContact CG-CG2 3.77Å; K89-Y115 CarbonylContact C-O 3.19Å; K89-M246 HydrophobicContact CD-CG 3.96Å; K89-M246 HydrophobicContact CD-SD 3.37Å; K89-M246 WeakPolarHBondContact CD-SD 3.27Å; K89-M246 VanDerWaalsContact CE-SD 3.57Å; K89-C249 VanDerWaalsContact O-CA 3.24Å; K89-C249 WeakPolarHBondContact O-CA 3.45Å; K89-C250 PolarHBondContact N-O 3.11Å; K89-L252 HydrophobicContact CB-CD1 4.19Å; K89-L252 HydrophobicContact CB-CG 4.39Å; K89-C537 PolarHBondContact NZ-SG 2.92Å |
| 90 | M | 95.3 | Very high | 90.1 | Very high | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | -50.9 | 168.9 | -106.5 | -174.7 | 60.9 | 0 | 0 | 112.5 | Y115 F297 D378 L379 V450 | M90-Y115 PolarHBondContact N-O 3.17Å; M90-F297 HydrophobicContact CG-CD1 4.11Å; M90-F297 HydrophobicContact CG-CE1 3.52Å; M90-F297 HydrophobicContact CG-CE2 4.3Å; M90-F297 HydrophobicContact CG-CZ 3.62Å; M90-F297 HydrophobicContact SD-CD1 3.4Å; M90-F297 WeakPolarHBondContact SD-CD1 3.31Å; M90-F297 HydrophobicContact SD-CD2 4.4Å; M90-F297 HydrophobicContact SD-CE1 3.47Å; M90-F297 WeakPolarHBondContact SD-CE1 3.49Å; M90-F297 HydrophobicContact SD-CE2 4.43Å; M90-F297 HydrophobicContact SD-CG 3.92Å; M90-F297 HydrophobicContact SD-CZ 4Å; M90-D378 HydrophobicContact CE-CB 4.08Å; M90-D378 WeakPolarHBondContact CE-O 3.2Å; M90-D378 HydrophobicContact SD-CB 3.65Å; M90-L379 HydrophobicContact CE-CD2 4.07Å; M90-L379 HydrophobicContact CE-CG 4.06Å; M90-V450 HydrophobicContact CE-CB 3.64Å; M90-V450 HydrophobicContact CE-CG2 3.36Å |
| 91 | D | 95.8 | Very high | 88.5 | Confident | 26 Ų | 26 | 56.4 Ų | 56.4 | 14% | 0.139 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 162 | -174.7 | -148.9 | 0.1 | 0 | 0 | 0 | 112.1 | Y115 V450 C537 S539 | D91-Y115 PolarHBondContact N-O 3.41Å; D91-Y115 PolarHBondContact O-N 2.87Å; D91-V450 HydrophobicContact CB-CG2 4.38Å; D91-C537 VanDerWaalsContact OD1-CB 3.24Å; D91-C537 WeakPolarHBondContact OD1-CB 3.38Å; D91-S539 VanDerWaalsContact CG-OG 3.27Å; D91-S539 PolarHBondContact OD1-OG 3.2Å; D91-S539 WeakPolarHBondContact OD2-CB 3.31Å; D91-S539 PolarHBondContact OD2-OG 3.23Å |
| 92 | V | 96.9 | Very high | 86.9 | Confident | 8 Ų | 8 | 57.7 Ų | 57.7 | 5% | 0.048 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 131.6 | 173.5 | -170.7 | 0 | 0 | 0 | 0 | 108.3 | K89 L112 R113 I114 E237 M241 | K89-V92 HydrophobicContact CD-CG2 4.15Å; V92-L112 HydrophobicContact CG1-CD2 3.74Å; V92-R113 VanDerWaalsContact CA-O 3.32Å; V92-R113 WeakPolarHBondContact CA-O 3.33Å; V92-I114 HydrophobicContact CG1-CG1 4.4Å; V92-I114 HydrophobicContact CG2-CG1 4.34Å; V92-E237 HydrophobicContact CB-CB 4.38Å; V92-E237 HydrophobicContact CG1-CB 4.27Å; V92-E237 HydrophobicContact CG1-CG 4.3Å; V92-M241 HydrophobicContact CG2-SD 4.24Å |
| 93 | D | 95.7 | Very high | 85.2 | Confident | 33 Ų | 33 | 60.2 Ų | 60.2 | 18% | 0.176 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | -171.5 | 163 | 73 | 20.5 | 0 | 0 | 0 | 110.1 | L112 R113 | D93-L112 CarbonylContact O-C 3.47Å; D93-L112 WeakPolarHBondContact O-CA 3.3Å; D93-R113 PolarHBondContact N-O 3.03Å; D93-R113 PolarHBondContact O-N 2.94Å; D93-R113 WeakPolarHBondContact OD1-CB 3.5Å; D93-R113 IonicContact OD1-CZ 3.91Å; D93-R113 VanDerWaalsContact OD1-CZ 3.27Å; D93-R113 IonicContact OD1-NE 3.78Å; D93-R113 PolarHBondContact OD1-NE 2.93Å; D93-R113 IonicContact OD1-NH2 2.86Å; D93-R113 PolarHBondContact OD1-NH2 3.43Å; D93-R113 IonicContact OD2-CZ 2.68Å; D93-R113 IonicContact OD2-NE 3.69Å; D93-R113 IonicContact OD2-NH2 3.72Å; D93-R113 PolarHBondContact OD2-NH2 2.81Å |
| 94 | Y | 96.1 | Very high | 83.1 | Confident | 76 Ų | 76 | 65.5 Ų | 65.5 | 30% | 0.298 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 159.4 | 173.6 | 66.8 | -83.5 | 0 | 0 | 0 | 111.6 | H96 V111 P202 F236 E237 | Y94-H96 AromaticContact CE2-NE2 3.63Å; Y94-V111 CarbonylContact C-O 3.55Å; Y94-V111 WeakPolarHBondContact CA-O 3.42Å; Y94-V111 WeakPolarHBondContact CB-O 3.35Å; Y94-P202 HydrophobicContact CD2-CG 4.22Å; Y94-P202 HydrophobicContact CE2-CB 4.21Å; Y94-P202 HydrophobicContact CE2-CG 3.74Å; Y94-F236 AromaticContact CD1-CD1 3.89Å; Y94-F236 HydrophobicContact CD1-CD1 3.89Å; Y94-F236 HydrophobicContact CD2-CD1 4.26Å; Y94-F236 HydrophobicContact CE1-CB 4.38Å; Y94-F236 HydrophobicContact CE1-CD1 4.38Å; Y94-F236 AromaticContact CG-CD1 3.82Å; Y94-F236 HydrophobicContact CG-CD1 3.82Å; Y94-F236 HydrophobicContact CG-CE1 4.31Å; Y94-E237 HydrophobicContact CD1-CG 4.03Å; Y94-E237 VanDerWaalsContact CD1-OE1 3.32Å; Y94-E237 WeakPolarHBondContact CD1-OE1 3.37Å; Y94-E237 VanDerWaalsContact CE1-OE1 3.22Å; Y94-E237 WeakPolarHBondContact CE1-OE1 3.44Å |
| 95 | Y | 94.6 | Very high | 81.1 | Confident | 30 Ų | 30 | 69.7 Ų | 69.7 | 12% | 0.118 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 170.8 | 171.4 | 69.6 | -77.7 | 0 | 0 | 0 | 110.1 | T97 A110 V111 R113 H127 R262 M268 | Y95-T97 HydrophobicContact CE2-CG2 4.39Å; Y95-A110 WeakPolarHBondContact O-CA 3.21Å; Y95-V111 HydrophobicContact CD1-CB 4.27Å; Y95-V111 HydrophobicContact CE1-CB 3.73Å; Y95-V111 HydrophobicContact CE1-CG1 3.7Å; Y95-V111 HydrophobicContact CE2-CB 4.43Å; Y95-V111 PolarHBondContact N-O 3.17Å; Y95-V111 PolarHBondContact O-N 2.87Å; Y95-R113 VanDerWaalsContact CD1-CD 3.47Å; Y95-R113 HydrophobicContact CD1-CG 3.62Å; Y95-R113 HydrophobicContact CE1-CG 3.53Å; Y95-H127 AromaticContact CE1-ND1 3.48Å; Y95-H127 WeakPolarHBondContact CE1-ND1 3.46Å; Y95-H127 AromaticContact CZ-ND1 3.78Å; Y95-H127 PolarHBondContact OH-ND1 2.88Å; Y95-R262 PolarHBondContact OH-NH2 3.48Å; Y95-M268 HydrophobicContact CD2-CE 3.94Å; Y95-M268 HydrophobicContact CE2-CE 3.55Å; Y95-M268 HydrophobicContact CE2-SD 3.95Å |
| 96 | H | 91.2 | Very high | 79.6 | Confident | 63 Ų | 63 | 74.2 Ų | 74.2 | 29% | 0.292 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 137 | 177 | -52.6 | 148.9 | 0 | 0 | 0 | 110.2 | Y94 Q108 E109 L201 | Y94-H96 AromaticContact CE2-NE2 3.63Å; H96-Q108 HydrophobicContact CB-CG 3.9Å; H96-E109 VanDerWaalsContact CA-O 3.28Å; H96-E109 WeakPolarHBondContact CA-O 3.3Å; H96-L201 HydrophobicContact CB-CD2 4.39Å |
| 97 | T | 87.6 | Confident | 78.6 | Confident | 44 Ų | 44 | 74.8 Ų | 74.8 | 27% | 0.27 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 167.2 | 176.8 | -165.5 | 0 | 0 | 0 | 0 | 111.1 | Y95 Q108 E109 V111 | Y95-T97 HydrophobicContact CE2-CG2 4.39Å; T97-Q108 WeakPolarHBondContact O-CA 3.38Å; T97-E109 HydrophobicContact CG2-CG 3.88Å; T97-E109 PolarHBondContact N-O 3.41Å; T97-E109 PolarHBondContact O-N 3.49Å; T97-V111 HydrophobicContact CG2-CG2 3.57Å |
| 98 | I | 80.1 | Confident | 78 | Confident | 86 Ų | 86 | 76 Ų | 76 | 44% | 0.441 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 113.1 | 171.9 | -58.9 | 171.1 | 0 | 0 | 0 | 106.6 | E106 | I98-E106 HydrophobicContact CG2-CB 4.39Å |
| 99 | R | 67.3 | Low | 77.5 | Confident | 103 Ų | 103 | 78.2 Ų | 78.2 | 39% | 0.389 | 36% | 0.356 | S | S | . | . | trans | -92 | 122.2 | -179 | -153.3 | -178.9 | 168.3 | -168.8 | -1 | 110.1 | V101 E109 D130 | R99-V101 HydrophobicContact CB-CG2 4.06Å; R99-V101 HydrophobicContact CG-CG2 3.39Å; R99-V101 PolarHBondContact O-N 3.15Å; R99-V101 VanDerWaalsContact O-N 3.14Å; R99-E109 WeakPolarHBondContact CB-OE1 3.46Å; R99-E109 WeakPolarHBondContact CD-OE1 3.42Å; R99-D130 IonicContact NH1-OD1 2.72Å | ||
| 100 | N | 57.8 | Low | 77.3 | Confident | 123 Ų | 123 | 78.6 Ų | 78.6 | 66% | 0.658 | 36% | 0.359 | S | S | * | . | trans | -84.9 | 46.9 | 174.6 | -83.6 | -22.5 | 0 | 0 | 0 | 112 | D102 | N100-D102 VanDerWaalsContact C-N 3.29Š| ||
| 101 | V | 55.2 | Low | 77.4 | Confident | 91 Ų | 91 | 78.5 Ų | 78.5 | 55% | 0.552 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -66.4 | -38.2 | 177.5 | -167.8 | 0 | 0 | 0 | 0 | 110.4 | R99 | R99-V101 HydrophobicContact CB-CG2 4.06Å; R99-V101 HydrophobicContact CG-CG2 3.39Å; R99-V101 PolarHBondContact O-N 3.15Å; R99-V101 VanDerWaalsContact O-N 3.14Å |
| 102 | D | 49.9 | Very low | 77.5 | Confident | 102 Ų | 102 | 77.3 Ų | 77.3 | 55% | 0.545 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -138.2 | 128.9 | 174.8 | -82.6 | -47.8 | 0 | 0 | 0 | 109 | N100 R104 R105 | N100-D102 VanDerWaalsContact C-N 3.29Å; D102-R104 PolarHBondContact O-N 2.82Å; D102-R105 PolarHBondContact O-N 2.94Å |
| 103 | K | 49.5 | Very low | 77.5 | Confident | 204 Ų | 204 | 77.5 Ų | 77.5 | 89% | 0.887 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -11.1 | 174.5 | -69.1 | -176.5 | 176.7 | -179.7 | 0 | 114.1 | ||
| 104 | R | 47.7 | Very low | 77.6 | Confident | 241 Ų | 241 | 76 Ų | 76 | 91% | 0.909 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -10 | 178.7 | -60.2 | -175.2 | -170.5 | -173.8 | 3.9 | 114.2 | D102 | D102-R104 PolarHBondContact O-N 2.82Š|
| 105 | R | 52.7 | Low | 77.7 | Confident | 199 Ų | 199 | 72.4 Ų | 72.4 | 75% | 0.751 | 33% | 0.33 | S | S | * | . | trans | -134 | 55.3 | -175.7 | -70.3 | -175.1 | 174.3 | -179.5 | -1.3 | 112.3 | D102 Q107 | D102-R105 PolarHBondContact O-N 2.94Å; R105-Q107 PolarHBondContact O-N 3.38Å | ||
| 106 | E | 67.3 | Low | 77.9 | Confident | 101 Ų | 101 | 71 Ų | 71 | 47% | 0.472 | 32% | 0.324 | S | S | . | . | trans | -64.4 | 86.1 | 160.6 | -75.1 | 175.9 | 176.9 | 0 | 0 | 109.1 | I98 K169 | I98-E106 HydrophobicContact CG2-CB 4.39Å; E106-K169 VanDerWaalsContact O-CD 3.25Å; E106-K169 WeakPolarHBondContact O-CD 3.39Å; E106-K169 WeakPolarHBondContact O-CE 3.33Å; E106-K169 PolarHBondContact O-NZ 2.84Å; E106-K169 IonicContact OE2-NZ 2.72Å; E106-K169 PolarHBondContact OE2-NZ 2.8Å | ||
| 107 | Q | 76.8 | Confident | 78.2 | Confident | 39 Ų | 39 | 68 Ų | 68 | 18% | 0.182 | 31% | 0.31 | C | S | . | . | trans | -128.2 | 136.7 | 178.2 | 173.5 | 61.6 | 37.4 | 0 | 0 | 108.2 | R105 Q170 | R105-Q107 PolarHBondContact O-N 3.38Å; Q107-Q170 PolarHBondContact NE2-O 2.91Å | ||
| 108 | Q | 84.5 | Confident | 78.7 | Confident | 26 Ų | 26 | 66.1 Ų | 66.1 | 12% | 0.121 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 132 | 174.6 | -166.7 | 170.6 | 44.7 | 0 | 0 | 110.2 | H96 T97 L201 | H96-Q108 HydrophobicContact CB-CG 3.9Å; T97-Q108 WeakPolarHBondContact O-CA 3.38Å; Q108-L201 HydrophobicContact CB-CD1 4.22Å; Q108-L201 HydrophobicContact CB-CD2 4.49Å; Q108-L201 HydrophobicContact CG-CD1 3.91Å; Q108-L201 HydrophobicContact CG-CD2 3.97Å |
| 109 | E | 88.2 | Confident | 79.5 | Confident | 46 Ų | 46 | 66.3 Ų | 66.3 | 22% | 0.215 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 158.8 | 176.2 | 67.6 | 178.2 | -179.4 | 0 | 0 | 111.5 | H96 T97 R99 V111 L201 | H96-E109 VanDerWaalsContact CA-O 3.28Å; H96-E109 WeakPolarHBondContact CA-O 3.3Å; T97-E109 HydrophobicContact CG2-CG 3.88Å; T97-E109 PolarHBondContact N-O 3.41Å; T97-E109 PolarHBondContact O-N 3.49Å; R99-E109 WeakPolarHBondContact CB-OE1 3.46Å; R99-E109 WeakPolarHBondContact CD-OE1 3.42Å; E109-V111 HydrophobicContact CG-CG2 4.26Å; E109-L201 VanDerWaalsContact C-CD2 3.5Å |
| 110 | A | 93.6 | Very high | 80.8 | Confident | 8 Ų | 8 | 67 Ų | 67 | 7% | 0.066 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 124.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y95 L201 P202 F236 | Y95-A110 WeakPolarHBondContact O-CA 3.21Å; A110-L201 HydrophobicContact CB-CD2 4.2Å; A110-P202 HydrophobicContact CB-CG 4.36Å; A110-F236 HydrophobicContact CB-CE1 3.86Å; A110-F236 HydrophobicContact CB-CZ 4.15Å |
| 111 | V | 96.3 | Very high | 82.5 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 127.4 | 177 | 179.6 | 0 | 0 | 0 | 0 | 108.2 | Y94 Y95 T97 E109 H127 Y129 | Y94-V111 CarbonylContact C-O 3.55Å; Y94-V111 WeakPolarHBondContact CA-O 3.42Å; Y94-V111 WeakPolarHBondContact CB-O 3.35Å; Y95-V111 HydrophobicContact CD1-CB 4.27Å; Y95-V111 HydrophobicContact CE1-CB 3.73Å; Y95-V111 HydrophobicContact CE1-CG1 3.7Å; Y95-V111 HydrophobicContact CE2-CB 4.43Å; Y95-V111 PolarHBondContact N-O 3.17Å; Y95-V111 PolarHBondContact O-N 2.87Å; T97-V111 HydrophobicContact CG2-CG2 3.57Å; E109-V111 HydrophobicContact CG-CG2 4.26Å; V111-H127 HydrophobicContact CG1-CB 4.11Å; V111-Y129 HydrophobicContact CB-CE1 4.46Å; V111-Y129 HydrophobicContact CG1-CD1 4.25Å; V111-Y129 HydrophobicContact CG1-CE1 4Å; V111-Y129 HydrophobicContact CG1-CE2 4.24Å; V111-Y129 HydrophobicContact CG2-CD1 3.69Å; V111-Y129 HydrophobicContact CG2-CE1 3.55Å |
| 112 | L | 98 | Very high | 84.5 | Confident | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 143.5 | 176.1 | -71.5 | 146.8 | 0 | 0 | 0 | 109.4 | V92 D93 H127 V128 F131 F236 E237 F240 | V92-L112 HydrophobicContact CG1-CD2 3.74Å; D93-L112 CarbonylContact O-C 3.47Å; D93-L112 WeakPolarHBondContact O-CA 3.3Å; L112-H127 WeakPolarHBondContact O-CA 3.41Å; L112-V128 HydrophobicContact CB-CB 4.13Å; L112-V128 PolarHBondContact N-O 3.38Å; L112-V128 VanDerWaalsContact N-O 3.16Å; L112-V128 PolarHBondContact O-N 3.3Å; L112-F131 HydrophobicContact CD1-CB 4.16Å; L112-F131 HydrophobicContact CD1-CD1 4.02Å; L112-F131 HydrophobicContact CD1-CG 4.34Å; L112-F236 HydrophobicContact CD1-CE1 4.18Å; L112-F236 HydrophobicContact CD1-CZ 4.23Å; L112-F236 HydrophobicContact CD2-CD1 3.97Å; L112-F236 HydrophobicContact CD2-CE1 3.86Å; L112-F236 HydrophobicContact CG-CD1 4.39Å; L112-F236 HydrophobicContact CG-CE1 3.76Å; L112-F236 HydrophobicContact CG-CZ 4.29Å; L112-E237 HydrophobicContact CD2-CG 4.42Å; L112-F240 HydrophobicContact CD1-CB 3.8Å; L112-F240 HydrophobicContact CD1-CD1 3.78Å; L112-F240 HydrophobicContact CD1-CD2 3.34Å; L112-F240 HydrophobicContact CD1-CE1 4.17Å; L112-F240 HydrophobicContact CD1-CE2 3.76Å; L112-F240 HydrophobicContact CD1-CG 3.34Å; L112-F240 HydrophobicContact CD1-CZ 4.15Å; L112-F240 HydrophobicContact CD2-CB 4.26Å; L112-F240 HydrophobicContact CD2-CD1 4.2Å; L112-F240 HydrophobicContact CD2-CG 4.26Å; L112-F240 HydrophobicContact CG-CG 4.42Å |
| 113 | R | 97.6 | Very high | 86.8 | Confident | 12 Ų | 12 | 52.8 Ų | 52.8 | 5% | 0.045 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 124.8 | 169.8 | -59.3 | 177.5 | -65 | -170.1 | 10.9 | 109 | V92 D93 Y95 Y115 C126 | V92-R113 VanDerWaalsContact CA-O 3.32Å; V92-R113 WeakPolarHBondContact CA-O 3.33Å; D93-R113 PolarHBondContact N-O 3.03Å; D93-R113 PolarHBondContact O-N 2.94Å; D93-R113 WeakPolarHBondContact OD1-CB 3.5Å; D93-R113 IonicContact OD1-CZ 3.91Å; D93-R113 VanDerWaalsContact OD1-CZ 3.27Å; D93-R113 IonicContact OD1-NE 3.78Å; D93-R113 PolarHBondContact OD1-NE 2.93Å; D93-R113 IonicContact OD1-NH2 2.86Å; D93-R113 PolarHBondContact OD1-NH2 3.43Å; D93-R113 IonicContact OD2-CZ 2.68Å; D93-R113 IonicContact OD2-NE 3.69Å; D93-R113 IonicContact OD2-NH2 3.72Å; D93-R113 PolarHBondContact OD2-NH2 2.81Å; Y95-R113 VanDerWaalsContact CD1-CD 3.47Å; Y95-R113 HydrophobicContact CD1-CG 3.62Å; Y95-R113 HydrophobicContact CE1-CG 3.53Å; R113-Y115 HydrophobicContact CB-CE2 4.03Å; R113-Y115 VanDerWaalsContact CZ-OH 3.25Å; R113-Y115 PolarHBondContact NE-OH 3.47Å; R113-C126 WeakPolarHBondContact CA-O 3.35Å |
| 114 | I | 98.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 122.1 | 174.9 | -51.1 | -178 | 0 | 0 | 0 | 107.7 | F87 K89 V92 C126 V128 F240 M246 L252 L282 | F87-I114 HydrophobicContact CE2-CG2 4.08Å; K89-I114 HydrophobicContact CB-CG2 4.05Å; K89-I114 HydrophobicContact CD-CG2 4.02Å; K89-I114 HydrophobicContact CG-CG2 3.77Å; V92-I114 HydrophobicContact CG1-CG1 4.4Å; V92-I114 HydrophobicContact CG2-CG1 4.34Å; I114-C126 HydrophobicContact CB-CB 4.28Å; I114-C126 PolarHBondContact N-O 3.39Å; I114-C126 PolarHBondContact O-N 3.48Å; I114-V128 HydrophobicContact CD1-CG2 3.72Å; I114-V128 HydrophobicContact CG1-CG2 3.99Å; I114-F240 HydrophobicContact CD1-CE1 3.91Å; I114-F240 HydrophobicContact CD1-CZ 4.18Å; I114-M246 HydrophobicContact CD1-CE 3.69Å; I114-M246 HydrophobicContact CD1-SD 4.22Å; I114-L252 HydrophobicContact CD1-CD1 3.91Å; I114-L252 HydrophobicContact CG2-CD1 3.84Å; I114-L282 HydrophobicContact CD1-CD1 4.28Å |
| 115 | Y | 98.4 | Very high | 91.5 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 0% | 0.004 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 141.1 | 175.6 | -59.4 | -80.4 | 0 | 0 | 0 | 109.9 | K89 M90 D91 R113 V124 C125 R418 V419 G448 | K89-Y115 CarbonylContact C-O 3.19Å; M90-Y115 PolarHBondContact N-O 3.17Å; D91-Y115 PolarHBondContact N-O 3.41Å; D91-Y115 PolarHBondContact O-N 2.87Å; R113-Y115 HydrophobicContact CB-CE2 4.03Å; R113-Y115 VanDerWaalsContact CZ-OH 3.25Å; R113-Y115 PolarHBondContact NE-OH 3.47Å; Y115-V124 WeakPolarHBondContact CA-O 3.45Å; Y115-C125 HydrophobicContact CD1-CB 4.36Å; Y115-C125 HydrophobicContact CE1-CB 4.28Å; Y115-R418 HydrophobicContact CE1-CB 4.24Å; Y115-V419 VanDerWaalsContact OH-CG2 3.29Å; Y115-V419 WeakPolarHBondContact OH-CG2 3.3Å; Y115-G448 VanDerWaalsContact CD2-CA 3.48Å; Y115-G448 VanDerWaalsContact CG-CA 3.43Å |
| 116 | G | 98 | Very high | 93.7 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -173 | -171.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q88 V124 | Q88-G116 CarbonylContact O-C 3.53Å; Q88-G116 WeakPolarHBondContact O-CA 3.36Å; G116-V124 PolarHBondContact N-O 3.08Å; G116-V124 VanDerWaalsContact N-O 3.08Å; G116-V124 PolarHBondContact O-N 2.94Å |
| 117 | V | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 137.3 | -171.6 | -174.3 | 0 | 0 | 0 | 0 | 111.1 | F87 Q88 H122 A295 F297 D378 | F87-V117 CarbonylContact C-O 3.08Å; F87-V117 WeakPolarHBondContact CA-O 3.47Å; Q88-V117 PolarHBondContact N-O 3.06Å; Q88-V117 PolarHBondContact O-N 3.3Å; V117-H122 VanDerWaalsContact CA-O 3.3Å; V117-H122 WeakPolarHBondContact CA-O 3.13Å; V117-A295 HydrophobicContact CB-CB 4.17Å; V117-A295 HydrophobicContact CG1-CB 4.42Å; V117-F297 HydrophobicContact CB-CD1 3.96Å; V117-F297 HydrophobicContact CB-CE1 3.87Å; V117-F297 HydrophobicContact CG2-CD1 3.63Å; V117-F297 HydrophobicContact CG2-CE1 3.8Å; V117-D378 VanDerWaalsContact CG2-CG 3.49Å; V117-D378 WeakPolarHBondContact CG2-OD1 3.47Å; V117-D378 WeakPolarHBondContact CG2-OD2 3.26Å |
| 118 | T | 97.8 | Very high | 96.2 | Very high | 6 Ų | 6 | 15.5 Ų | 15.5 | 4% | 0.037 | 7% | 0.073 | C | C | . | . | trans | -73 | 171.9 | 175 | 67.5 | 0 | 0 | 0 | 0 | 111.7 | V86 F87 E120 S121 H122 V124 I273 | V86-T118 WeakPolarHBondContact O-CG2 3.32Å; F87-T118 HydrophobicContact CB-CG2 4.21Å; T118-E120 WeakPolarHBondContact CB-OE2 3.33Å; T118-E120 PolarHBondContact O-N 3.35Å; T118-E120 PolarHBondContact OG1-N 2.9Å; T118-E120 PolarHBondContact OG1-OE2 3.48Å; T118-S121 PolarHBondContact O-N 3.24Å; T118-S121 PolarHBondContact OG1-N 3.03Å; T118-H122 HydrophobicContact CG2-CB 4.01Å; T118-H122 PolarHBondContact N-O 3.36Å; T118-H122 WeakPolarHBondContact OG1-CB 3.38Å; T118-H122 PolarHBondContact OG1-N 2.87Å; T118-H122 PolarHBondContact OG1-ND1 2.96Å; T118-V124 HydrophobicContact CG2-CG2 3.89Å; T118-I273 HydrophobicContact CG2-CD1 4.26Å | ||
| 119 | K | 95.6 | Very high | 96.7 | Very high | 89 Ų | 89 | 15.4 Ų | 15.4 | 39% | 0.387 | 7% | 0.072 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -26.6 | 173.2 | -75.5 | -167.1 | 176.2 | -162.6 | 0 | 111.6 | S121 W251 D293 P296 | K119-S121 VanDerWaalsContact C-N 3.28Å; K119-S121 PolarHBondContact O-N 3.19Å; K119-W251 HydrophobicContact CB-CH2 4.37Å; K119-W251 HydrophobicContact CD-CH2 4.32Å; K119-W251 HydrophobicContact CG-CH2 3.31Å; K119-W251 HydrophobicContact CG-CZ2 4.12Å; K119-W251 HydrophobicContact CG-CZ3 3.75Å; K119-D293 IonicContact NZ-OD2 3.19Å; K119-D293 PolarHBondContact NZ-OD2 3.11Å; K119-P296 WeakPolarHBondContact O-CG 3.37Å |
| 120 | E | 94.7 | Very high | 97 | Very high | 119 Ų | 119 | 16.6 Ų | 16.6 | 56% | 0.556 | 8% | 0.08 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | 11.4 | -179.7 | -56.7 | 74.2 | -162.7 | 0 | 0 | 113.1 | T118 H122 | T118-E120 WeakPolarHBondContact CB-OE2 3.33Å; T118-E120 PolarHBondContact O-N 3.35Å; T118-E120 PolarHBondContact OG1-N 2.9Å; T118-E120 PolarHBondContact OG1-OE2 3.48Å; E120-H122 PolarHBondContact O-N 2.84Å |
| 121 | S | 95.1 | Very high | 97.1 | Very high | 8 Ų | 8 | 17.1 Ų | 17.1 | 6% | 0.056 | 8% | 0.081 | C | C | . | . | trans | 66.3 | 28.7 | 179.8 | -151.4 | 0 | 0 | 0 | 0 | 115.2 | R74 T118 K119 P296 | R74-S121 WeakPolarHBondContact CD-O 3.26Å; R74-S121 PolarHBondContact NH1-O 3.22Å; R74-S121 PolarHBondContact NH1-OG 3.31Å; T118-S121 PolarHBondContact O-N 3.24Å; T118-S121 PolarHBondContact OG1-N 3.03Å; K119-S121 VanDerWaalsContact C-N 3.28Å; K119-S121 PolarHBondContact O-N 3.19Å; S121-P296 PolarHBondContact OG-O 3.48Å | ||
| 122 | H | 96.9 | Very high | 97.1 | Very high | 8 Ų | 8 | 19.6 Ų | 19.6 | 4% | 0.037 | 10% | 0.098 | C | C | . | . | trans | -87.8 | 133.5 | 171.4 | -53.2 | 122 | 0 | 0 | 0 | 111.3 | P75 Q76 L77 V117 T118 E120 Q272 I273 | P75-H122 PolarHBondContact O-CD2 3.06Å; P75-H122 VanDerWaalsContact O-CD2 3.29Å; P75-H122 PolarHBondContact O-NE2 3.04Å; Q76-H122 PolarHBondContact O-NE2 2.78Å; L77-H122 HydrophobicContact CD2-CB 3.87Å; V117-H122 VanDerWaalsContact CA-O 3.3Å; V117-H122 WeakPolarHBondContact CA-O 3.13Å; T118-H122 HydrophobicContact CG2-CB 4.01Å; T118-H122 PolarHBondContact N-O 3.36Å; T118-H122 WeakPolarHBondContact OG1-CB 3.38Å; T118-H122 PolarHBondContact OG1-N 2.87Å; T118-H122 PolarHBondContact OG1-ND1 2.96Å; E120-H122 PolarHBondContact O-N 2.84Å; H122-Q272 VanDerWaalsContact CA-OE1 3.29Å; H122-I273 HydrophobicContact CB-CD1 4.02Å | ||
| 123 | S | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 137.6 | 176.9 | 59.1 | 0 | 0 | 0 | 0 | 112.2 | C271 Q272 I273 D376 | S123-C271 WeakPolarHBondContact OG-CA 3.44Å; S123-Q272 PolarHBondContact O-N 3.44Å; S123-Q272 PolarHBondContact OG-N 3.17Å; S123-I273 PolarHBondContact O-N 3.03Å; S123-D376 WeakPolarHBondContact CB-OD2 3.27Å; S123-D376 PolarHBondContact OG-OD2 2.78Å |
| 124 | V | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 130.5 | -174.9 | -173.3 | 0 | 0 | 0 | 0 | 110.6 | F87 Y115 G116 T118 C126 I273 | F87-V124 HydrophobicContact CB-CB 4.37Å; F87-V124 HydrophobicContact CB-CG2 3.82Å; F87-V124 HydrophobicContact CD1-CB 4.43Å; F87-V124 HydrophobicContact CD1-CG1 4Å; F87-V124 HydrophobicContact CD1-CG2 4.37Å; F87-V124 HydrophobicContact CD2-CB 4.07Å; F87-V124 HydrophobicContact CD2-CG1 4.22Å; F87-V124 HydrophobicContact CD2-CG2 4.45Å; F87-V124 HydrophobicContact CE1-CG1 4Å; F87-V124 HydrophobicContact CE2-CB 4.44Å; F87-V124 HydrophobicContact CE2-CG1 4.21Å; F87-V124 HydrophobicContact CG-CB 4.05Å; F87-V124 HydrophobicContact CG-CG1 4.1Å; F87-V124 HydrophobicContact CG-CG2 3.99Å; F87-V124 HydrophobicContact CZ-CG1 4.1Å; Y115-V124 WeakPolarHBondContact CA-O 3.45Å; G116-V124 PolarHBondContact N-O 3.08Å; G116-V124 VanDerWaalsContact N-O 3.08Å; G116-V124 PolarHBondContact O-N 2.94Å; T118-V124 HydrophobicContact CG2-CG2 3.89Å; V124-C126 HydrophobicContact CG1-CB 4.48Å; V124-I273 CarbonylContact C-O 3.54Å; V124-I273 WeakPolarHBondContact CA-O 3.5Å; V124-I273 HydrophobicContact CG1-CB 4.42Å; V124-I273 HydrophobicContact CG1-CG2 4.28Å; V124-I273 HydrophobicContact CG2-CB 4.18Å; V124-I273 HydrophobicContact CG2-CD1 4.12Å |
| 125 | C | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 109.6 | 163.5 | -179.1 | 0 | 0 | 0 | 0 | 108.9 | Y115 S269 C271 I273 E274 V275 | Y115-C125 HydrophobicContact CD1-CB 4.36Å; Y115-C125 HydrophobicContact CE1-CB 4.28Å; C125-S269 VanDerWaalsContact CB-OG 3.26Å; C125-S269 WeakPolarHBondContact CB-OG 3.4Å; C125-C271 HydrophobicContact CB-CB 3.8Å; C125-I273 PolarHBondContact N-O 3.06Å; C125-E274 HydrophobicContact CB-CG 4.24Å; C125-E274 WeakPolarHBondContact O-CA 3.49Å; C125-V275 PolarHBondContact O-N 3.37Å; C125-V275 VanDerWaalsContact O-N 3.11Å |
| 126 | C | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 113.8 | 179.8 | 178 | 0 | 0 | 0 | 0 | 110 | F87 R113 I114 V124 V275 V277 | F87-C126 HydrophobicContact CE1-CB 4.45Å; F87-C126 HydrophobicContact CZ-CB 3.77Å; R113-C126 WeakPolarHBondContact CA-O 3.35Å; I114-C126 HydrophobicContact CB-CB 4.28Å; I114-C126 PolarHBondContact N-O 3.39Å; I114-C126 PolarHBondContact O-N 3.48Å; V124-C126 HydrophobicContact CG1-CB 4.48Å; C126-V275 HydrophobicContact CB-CG2 4.04Å; C126-V277 WeakPolarHBondContact SG-CG1 3.49Å |
| 127 | H | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 118.4 | 176.2 | -61.1 | -89.7 | 0 | 0 | 0 | 109.8 | Y95 V111 L112 Y129 R262 E274 V275 D276 V277 | Y95-H127 AromaticContact CE1-ND1 3.48Å; Y95-H127 WeakPolarHBondContact CE1-ND1 3.46Å; Y95-H127 AromaticContact CZ-ND1 3.78Å; Y95-H127 PolarHBondContact OH-ND1 2.88Å; V111-H127 HydrophobicContact CG1-CB 4.11Å; L112-H127 WeakPolarHBondContact O-CA 3.41Å; H127-Y129 HydrophobicContact CB-CE2 3.77Å; H127-R262 VanDerWaalsContact CD2-CZ 3.43Å; H127-R262 PolarHBondContact CD2-NH2 3.09Å; H127-R262 PolarHBondContact CE1-NH1 3.14Å; H127-R262 VanDerWaalsContact CG-NH2 3.34Å; H127-R262 PolarHBondContact NE2-NH1 3Å; H127-E274 IonicContact CD2-OE1 2.67Å; H127-E274 IonicContact CE1-OE1 3.92Å; H127-E274 VanDerWaalsContact NE2-CD 3.28Å; H127-E274 VanDerWaalsContact NE2-CG 3.32Å; H127-E274 WeakPolarHBondContact NE2-CG 3.43Å; H127-E274 IonicContact NE2-OE1 3.41Å; H127-E274 PolarHBondContact NE2-OE1 3.26Å; H127-V275 PolarHBondContact N-O 2.83Å; H127-D276 WeakPolarHBondContact CB-OD1 3.47Å; H127-D276 IonicContact CG-OD1 3.76Å; H127-V277 PolarHBondContact O-N 2.87Å |
| 128 | V | 98 | Very high | 96.8 | Very high | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.006 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 117.1 | -173 | -174.9 | 0 | 0 | 0 | 0 | 110.4 | L112 I114 F240 V277 W279 L282 | L112-V128 HydrophobicContact CB-CB 4.13Å; L112-V128 PolarHBondContact N-O 3.38Å; L112-V128 VanDerWaalsContact N-O 3.16Å; L112-V128 PolarHBondContact O-N 3.3Å; I114-V128 HydrophobicContact CD1-CG2 3.72Å; I114-V128 HydrophobicContact CG1-CG2 3.99Å; V128-F240 HydrophobicContact CG1-CE2 4.02Å; V128-F240 HydrophobicContact CG1-CZ 3.98Å; V128-V277 VanDerWaalsContact CA-O 3.31Å; V128-V277 WeakPolarHBondContact CA-O 3.44Å; V128-V277 HydrophobicContact CG2-CG1 3.97Å; V128-W279 HydrophobicContact CG1-CB 3.55Å; V128-L282 HydrophobicContact CG1-CD1 3.89Å; V128-L282 HydrophobicContact CG2-CD1 4Å; V128-L282 HydrophobicContact CG2-CD2 4.46Å |
| 129 | Y | 96 | Very high | 96.5 | Very high | 24 Ų | 24 | 22.9 Ų | 22.9 | 9% | 0.094 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 170.2 | -175.4 | -64.8 | -95.3 | 0 | 0 | 0 | 113.2 | V111 H127 F131 R262 D276 V277 W279 | V111-Y129 HydrophobicContact CB-CE1 4.46Å; V111-Y129 HydrophobicContact CG1-CD1 4.25Å; V111-Y129 HydrophobicContact CG1-CE1 4Å; V111-Y129 HydrophobicContact CG1-CE2 4.24Å; V111-Y129 HydrophobicContact CG2-CD1 3.69Å; V111-Y129 HydrophobicContact CG2-CE1 3.55Å; H127-Y129 HydrophobicContact CB-CE2 3.77Å; Y129-F131 PolarHBondContact O-N 3.15Å; Y129-R262 PolarHBondContact OH-NH2 3.15Å; Y129-D276 HydrophobicContact CD2-CB 4.41Å; Y129-D276 HydrophobicContact CE2-CB 3.7Å; Y129-D276 WeakPolarHBondContact CE2-OD1 3.36Å; Y129-D276 VanDerWaalsContact CZ-OD1 3.24Å; Y129-D276 PolarHBondContact OH-OD1 2.93Å; Y129-V277 PolarHBondContact N-O 2.52Å; Y129-W279 VanDerWaalsContact O-CD1 3.28Å; Y129-W279 PolarHBondContact O-N 2.9Å; Y129-W279 VanDerWaalsContact O-N 3.11Å |
| 130 | D | 93.9 | Very high | 95.9 | Very high | 72 Ų | 72 | 23.3 Ų | 23.3 | 39% | 0.385 | 12% | 0.122 | S | C | . | . | S | Bend | trans | 65.4 | 19 | 169.7 | -45.1 | -45.7 | 0 | 0 | 0 | 115 | R99 T278 W279 | R99-D130 IonicContact NH1-OD1 2.72Å; D130-T278 HydrophobicContact CB-CG2 4.04Å; D130-T278 VanDerWaalsContact OD2-CG2 3.22Å; D130-T278 WeakPolarHBondContact OD2-CG2 3.09Å; D130-T278 PolarHBondContact OD2-OG1 3.4Å; D130-W279 PolarHBondContact O-NE1 2.85Å |
| 131 | F | 96.2 | Very high | 95.1 | Very high | 18 Ų | 18 | 25 Ų | 25 | 8% | 0.079 | 14% | 0.135 | C | C | . | . | trans | -104.2 | 114.4 | 171 | -170.1 | -95.7 | 0 | 0 | 0 | 109.6 | L112 Y129 F236 R239 F240 D243 W279 | L112-F131 HydrophobicContact CD1-CB 4.16Å; L112-F131 HydrophobicContact CD1-CD1 4.02Å; L112-F131 HydrophobicContact CD1-CG 4.34Å; Y129-F131 PolarHBondContact O-N 3.15Å; F131-F236 HydrophobicContact CD1-CD2 4.35Å; F131-F236 AromaticContact CD1-CE2 3.43Å; F131-F236 HydrophobicContact CD1-CE2 3.43Å; F131-F236 VanDerWaalsContact CD1-CE2 3.43Å; F131-F236 AromaticContact CD1-CZ 3.73Å; F131-F236 HydrophobicContact CD1-CZ 3.73Å; F131-F236 HydrophobicContact CE1-CD2 4.19Å; F131-F236 AromaticContact CE1-CE2 3.65Å; F131-F236 HydrophobicContact CE1-CE2 3.65Å; F131-F236 HydrophobicContact CE1-CZ 4.37Å; F131-F236 WeakPolarHBondContact O-CZ 3.31Å; F131-R239 HydrophobicContact CE1-CG 4.11Å; F131-R239 HydrophobicContact CZ-CG 3.97Å; F131-F240 HydrophobicContact CB-CD2 4.29Å; F131-F240 HydrophobicContact CD1-CB 3.97Å; F131-F240 AromaticContact CD1-CD2 3.88Å; F131-F240 HydrophobicContact CD1-CD2 3.88Å; F131-F240 HydrophobicContact CD1-CG 4.37Å; F131-F240 AromaticContact CD2-CD2 3.93Å; F131-F240 HydrophobicContact CD2-CD2 3.93Å; F131-F240 HydrophobicContact CE1-CB 3.67Å; F131-F240 HydrophobicContact CE1-CD2 4.2Å; F131-F240 HydrophobicContact CE1-CG 4.45Å; F131-F240 HydrophobicContact CE2-CD2 4.23Å; F131-F240 AromaticContact CG-CD2 3.75Å; F131-F240 HydrophobicContact CG-CD2 3.75Å; F131-F240 HydrophobicContact CG-CE2 4.48Å; F131-F240 HydrophobicContact CZ-CB 4.13Å; F131-F240 HydrophobicContact CZ-CD2 4.37Å; F131-D243 HydrophobicContact CE2-CB 3.93Å; F131-D243 HydrophobicContact CZ-CB 4.02Å; F131-W279 HydrophobicContact CB-CB 4.41Å; F131-W279 HydrophobicContact CB-CG 4.2Å; F131-W279 HydrophobicContact CD2-CD2 4.36Å; F131-W279 HydrophobicContact CD2-CG 4.31Å | ||
| 132 | S | 95.2 | Very high | 94.6 | Very high | 52 Ų | 52 | 26 Ų | 26 | 36% | 0.364 | 14% | 0.138 | S | C | . | . | trans | -103.3 | 139.5 | -176.5 | -60.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 133 | P | 96.7 | Very high | 93.7 | Very high | 6 Ų | 6 | 31.2 Ų | 31.2 | 4% | 0.039 | 16% | 0.162 | C | C | . | . | trans | -66.6 | 142.4 | 175.8 | 26 | -32.2 | 0 | 0 | 0 | 110.9 | T198 V199 P202 F236 | P133-T198 WeakPolarHBondContact O-CA 3.38Å; P133-V199 HydrophobicContact CB-CG2 4.16Å; P133-V199 VanDerWaalsContact CD-O 3.3Å; P133-V199 WeakPolarHBondContact CD-O 3.45Å; P133-V199 HydrophobicContact CG-CG2 3.82Å; P133-V199 VanDerWaalsContact CG-O 3.28Å; P133-V199 WeakPolarHBondContact CG-O 3.48Å; P133-V199 PolarHBondContact O-N 3.04Å; P133-P202 HydrophobicContact CB-CG 4.22Å; P133-P202 HydrophobicContact CG-CG 4.16Å; P133-F236 HydrophobicContact CB-CD2 3.7Å; P133-F236 HydrophobicContact CB-CE2 3.79Å; P133-F236 HydrophobicContact CG-CD2 4.48Å; P133-F236 HydrophobicContact CG-CE2 4.22Å | ||
| 134 | Y | 97.6 | Very high | 93 | Very high | 33 Ų | 33 | 37.3 Ų | 37.3 | 13% | 0.129 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 162.8 | 175.7 | 70.2 | -88.7 | 0 | 0 | 0 | 111.9 | K196 V197 R239 D243 | Y134-K196 HydrophobicContact CD2-CD 4.16Å; Y134-K196 HydrophobicContact CD2-CG 3.74Å; Y134-K196 HydrophobicContact CE2-CD 4.49Å; Y134-K196 HydrophobicContact CE2-CG 4.43Å; Y134-K196 HydrophobicContact CG-CD 4.34Å; Y134-K196 HydrophobicContact CG-CG 4.05Å; Y134-V197 WeakPolarHBondContact CA-O 3.28Å; Y134-V197 WeakPolarHBondContact CB-O 3.45Å; Y134-R239 HydrophobicContact CE1-CG 4.13Å; Y134-R239 WeakPolarHBondContact OH-CD 3.49Å; Y134-R239 PolarHBondContact OH-NH1 3.33Å; Y134-D243 WeakPolarHBondContact CE1-OD2 3.43Å; Y134-D243 PolarHBondContact OH-OD1 2.77Å; Y134-D243 PolarHBondContact OH-OD2 3.08Å |
| 135 | F | 97.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 171.6 | 166 | 68.8 | -78 | 0 | 0 | 0 | 109.4 | V137 V197 V199 V205 A208 V212 T229 | F135-V137 HydrophobicContact CD2-CG2 4.04Å; F135-V137 HydrophobicContact CE2-CG2 3.52Å; F135-V137 HydrophobicContact CZ-CG2 4.35Å; F135-V197 HydrophobicContact CD1-CB 4.19Å; F135-V197 HydrophobicContact CD1-CG1 4.46Å; F135-V197 HydrophobicContact CE1-CB 3.76Å; F135-V197 HydrophobicContact CE1-CG1 3.67Å; F135-V197 HydrophobicContact CE2-CB 4.44Å; F135-V197 HydrophobicContact CZ-CB 3.9Å; F135-V197 HydrophobicContact CZ-CG1 3.92Å; F135-V197 HydrophobicContact CZ-CG2 4.26Å; F135-V197 PolarHBondContact N-O 3.38Å; F135-V197 VanDerWaalsContact N-O 3.11Å; F135-V197 PolarHBondContact O-N 3.37Å; F135-V199 HydrophobicContact CE1-CG1 4.35Å; F135-V205 HydrophobicContact CB-CG1 4.38Å; F135-V205 HydrophobicContact CD1-CG1 3.99Å; F135-V205 HydrophobicContact CD1-CG2 4.43Å; F135-V205 HydrophobicContact CG-CG1 4.3Å; F135-A208 HydrophobicContact CE1-CB 3.81Å; F135-A208 HydrophobicContact CZ-CB 3.87Å; F135-V212 HydrophobicContact CE2-CG2 4.13Å; F135-V212 HydrophobicContact CZ-CG2 4.05Å; F135-T229 HydrophobicContact CD2-CG2 4.19Å; F135-T229 HydrophobicContact CE2-CG2 3.9Å |
| 136 | L | 97.6 | Very high | 91.7 | Very high | 3 Ų | 3 | 46.5 Ų | 46.5 | 2% | 0.016 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 146.9 | -174.8 | -65.9 | 167.8 | 0 | 0 | 0 | 110.6 | I178 F194 L195 K196 T229 F230 F564 | L136-I178 HydrophobicContact CD2-CG2 3.81Å; L136-F194 HydrophobicContact CB-CD1 4.42Å; L136-L195 CarbonylContact C-O 3.56Å; L136-L195 VanDerWaalsContact CA-O 3.32Å; L136-L195 WeakPolarHBondContact CA-O 3.34Å; L136-K196 HydrophobicContact CD2-CB 3.94Å; L136-K196 HydrophobicContact CD2-CG 4.3Å; L136-T229 CarbonylContact O-C 3.59Å; L136-T229 WeakPolarHBondContact O-CA 3.36Å; L136-F230 HydrophobicContact CB-CB 3.75Å; L136-F230 PolarHBondContact N-O 3.22Å; L136-F230 PolarHBondContact O-N 2.98Å; L136-F564 HydrophobicContact CD1-CB 3.92Å; L136-F564 HydrophobicContact CD1-CD1 3.23Å; L136-F564 HydrophobicContact CD1-CD2 3.91Å; L136-F564 HydrophobicContact CD1-CE1 3.61Å; L136-F564 HydrophobicContact CD1-CE2 4.21Å; L136-F564 HydrophobicContact CD1-CG 3.4Å; L136-F564 VanDerWaalsContact CD1-CG 3.4Å; L136-F564 HydrophobicContact CD1-CZ 4.09Å |
| 137 | V | 96.9 | Very high | 91.4 | Very high | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.012 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 128 | 177.6 | -177.4 | 0 | 0 | 0 | 0 | 108.7 | F135 A139 F194 L195 V197 V212 M227 T229 | F135-V137 HydrophobicContact CD2-CG2 4.04Å; F135-V137 HydrophobicContact CE2-CG2 3.52Å; F135-V137 HydrophobicContact CZ-CG2 4.35Å; V137-A139 PolarHBondContact O-N 3.37Å; V137-F194 CarbonylContact O-C 3.6Å; V137-F194 WeakPolarHBondContact O-CA 3.48Å; V137-L195 HydrophobicContact CB-CB 4.26Å; V137-L195 PolarHBondContact N-O 3.49Å; V137-L195 PolarHBondContact O-N 2.76Å; V137-V197 HydrophobicContact CG2-CG2 3.79Å; V137-V212 HydrophobicContact CB-CG1 4.33Å; V137-V212 HydrophobicContact CG1-CG1 3.51Å; V137-V212 HydrophobicContact CG2-CG1 3.81Å; V137-V212 HydrophobicContact CG2-CG2 4.22Å; V137-M227 HydrophobicContact CG1-CB 3.52Å; V137-M227 HydrophobicContact CG1-CE 3.92Å; V137-M227 HydrophobicContact CG1-CG 4.34Å; V137-M227 HydrophobicContact CG1-SD 3.97Å; V137-T229 HydrophobicContact CG2-CG2 4.41Å |
| 138 | L | 95.4 | Very high | 91.1 | Very high | 38 Ų | 38 | 52.1 Ų | 52.1 | 20% | 0.199 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 118.3 | 175 | -179 | 66.1 | 0 | 0 | 0 | 109.7 | F194 P228 F230 | L138-F194 HydrophobicContact CB-CD1 4.27Å; L138-F194 HydrophobicContact CB-CE1 4.07Å; L138-F194 HydrophobicContact CD1-CD1 4.27Å; L138-F194 HydrophobicContact CD1-CE1 3.82Å; L138-F194 HydrophobicContact CD1-CE2 4.09Å; L138-F194 HydrophobicContact CD1-CZ 3.72Å; L138-P228 HydrophobicContact CB-CG 3.88Å; L138-P228 HydrophobicContact CD2-CG 3.94Å; L138-P228 HydrophobicContact CG-CG 4.5Å; L138-P228 PolarHBondContact N-O 3.13Å; L138-P228 VanDerWaalsContact N-O 3.1Å; L138-F230 HydrophobicContact CB-CD2 4.48Å; L138-F230 HydrophobicContact CB-CE2 3.98Å |
| 139 | A | 91.6 | Very high | 90.8 | Very high | 8 Ų | 8 | 55.6 Ų | 55.6 | 7% | 0.066 | 29% | 0.292 | C | S | . | . | trans | -136.9 | 74.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | V137 N141 F142 T193 L195 M227 | V137-A139 PolarHBondContact O-N 3.37Å; A139-N141 PolarHBondContact O-N 3.22Å; A139-F142 HydrophobicContact CB-CB 3.92Å; A139-F142 HydrophobicContact CB-CD2 4.26Å; A139-F142 HydrophobicContact CB-CG 4.38Å; A139-F142 VanDerWaalsContact O-CB 3.29Å; A139-F142 WeakPolarHBondContact O-CB 3.38Å; A139-F142 PolarHBondContact O-N 3.39Å; A139-T193 CarbonylContact C-O 3.6Å; A139-T193 PolarHBondContact N-O 2.93Å; A139-T193 WeakPolarHBondContact O-CB 3.49Å; A139-L195 HydrophobicContact CB-CD1 3.85Å; A139-L195 HydrophobicContact CB-CD2 4.37Å; A139-L195 HydrophobicContact CB-CG 3.72Å; A139-M227 HydrophobicContact CB-SD 3.99Å | ||
| 140 | N | 83.9 | Confident | 90.7 | Very high | 97 Ų | 97 | 56.5 Ų | 56.5 | 52% | 0.519 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 134.2 | -180 | -67.7 | -29.4 | 0 | 0 | 0 | 111 | F142 | N140-F142 VanDerWaalsContact C-N 3.27Å; N140-F142 PolarHBondContact O-N 2.87Å |
| 141 | N | 78.3 | Confident | 90.7 | Very high | 155 Ų | 155 | 55 Ų | 55 | 83% | 0.829 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.3 | 25.5 | -179.5 | -45.6 | -42.7 | 0 | 0 | 0 | 114.6 | A139 | A139-N141 PolarHBondContact O-N 3.22Š|
| 142 | F | 83.5 | Confident | 90.7 | Very high | 29 Ų | 29 | 59.6 Ų | 59.6 | 13% | 0.127 | 31% | 0.306 | C | S | . | . | trans | -72.6 | 127.1 | 173.5 | -168.6 | -85.6 | 0 | 0 | 0 | 111.2 | A139 N140 Y150 V177 T193 L195 | A139-F142 HydrophobicContact CB-CB 3.92Å; A139-F142 HydrophobicContact CB-CD2 4.26Å; A139-F142 HydrophobicContact CB-CG 4.38Å; A139-F142 VanDerWaalsContact O-CB 3.29Å; A139-F142 WeakPolarHBondContact O-CB 3.38Å; A139-F142 PolarHBondContact O-N 3.39Å; N140-F142 VanDerWaalsContact C-N 3.27Å; N140-F142 PolarHBondContact O-N 2.87Å; F142-Y150 AromaticContact CE2-CD1 3.71Å; F142-Y150 HydrophobicContact CE2-CD1 3.71Å; F142-Y150 AromaticContact CE2-CD2 3.48Å; F142-Y150 HydrophobicContact CE2-CD2 3.48Å; F142-Y150 VanDerWaalsContact CE2-CD2 3.48Å; F142-Y150 AromaticContact CE2-CE1 3.74Å; F142-Y150 HydrophobicContact CE2-CE1 3.74Å; F142-Y150 AromaticContact CE2-CE2 3.52Å; F142-Y150 HydrophobicContact CE2-CE2 3.52Å; F142-Y150 AromaticContact CE2-CG 3.58Å; F142-Y150 HydrophobicContact CE2-CG 3.58Å; F142-Y150 AromaticContact CE2-CZ 3.64Å; F142-Y150 HydrophobicContact CZ-CD1 4.22Å; F142-Y150 AromaticContact CZ-CD2 3.63Å; F142-Y150 HydrophobicContact CZ-CD2 3.63Å; F142-Y150 HydrophobicContact CZ-CE2 4.11Å; F142-Y150 AromaticContact CZ-CG 3.69Å; F142-Y150 HydrophobicContact CZ-CG 3.69Å; F142-V177 HydrophobicContact CD1-CG2 4Å; F142-V177 HydrophobicContact CE1-CG2 4.39Å; F142-T193 HydrophobicContact CB-CG2 4.29Å; F142-L195 HydrophobicContact CB-CD2 4.31Å; F142-L195 HydrophobicContact CD1-CD2 3.54Å; F142-L195 HydrophobicContact CD2-CD1 4.04Å; F142-L195 HydrophobicContact CD2-CD2 4.17Å; F142-L195 HydrophobicContact CE1-CD2 3.79Å; F142-L195 HydrophobicContact CE2-CD1 3.94Å; F142-L195 HydrophobicContact CE2-CD2 4.36Å; F142-L195 HydrophobicContact CG-CD1 4.44Å; F142-L195 HydrophobicContact CG-CD2 3.74Å; F142-L195 HydrophobicContact CZ-CD1 4.29Å; F142-L195 HydrophobicContact CZ-CD2 4.2Å | ||
| 143 | E | 78.6 | Confident | 90.7 | Very high | 117 Ų | 117 | 58 Ų | 58 | 55% | 0.547 | 30% | 0.295 | S | S | . | . | trans | -88.4 | 133.4 | 176.5 | -60.9 | 176.7 | -177.1 | 0 | 0 | 111.2 | A145 Y146 | E143-A145 PolarHBondContact O-N 3.13Å; E143-Y146 HydrophobicContact CB-CD2 3.8Å; E143-Y146 HydrophobicContact CB-CE2 3.91Å; E143-Y146 HydrophobicContact CG-CE2 4.36Å; E143-Y146 PolarHBondContact O-N 3.14Å; E143-Y146 VanDerWaalsContact OE2-CE2 3.3Å; E143-Y146 WeakPolarHBondContact OE2-CE2 3.46Å | ||
| 144 | H | 83 | Confident | 90.6 | Very high | 128 Ų | 128 | 57.7 Ų | 57.7 | 59% | 0.593 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -54.9 | -27.3 | -177.3 | -137.1 | -74.1 | 0 | 0 | 0 | 113.8 | Y146 C147 V177 | H144-Y146 PolarHBondContact O-N 3.36Å; H144-C147 PolarHBondContact O-N 2.87Å; H144-C147 PolarHBondContact O-SG 3.39Å; H144-V177 HydrophobicContact CB-CG2 4.48Å |
| 145 | A | 83.2 | Confident | 90.5 | Very high | 85 Ų | 85 | 57 Ų | 57 | 70% | 0.702 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -65.3 | -19.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | E143 | E143-A145 PolarHBondContact O-N 3.13Š|
| 146 | Y | 86.4 | Confident | 90.3 | Very high | 108 Ų | 108 | 64.3 Ų | 64.3 | 42% | 0.424 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -95.2 | -0.5 | 180 | -60.6 | -66.1 | 0 | 0 | 0 | 114 | E143 H144 D148 M149 Y150 | E143-Y146 HydrophobicContact CB-CD2 3.8Å; E143-Y146 HydrophobicContact CB-CE2 3.91Å; E143-Y146 HydrophobicContact CG-CE2 4.36Å; E143-Y146 PolarHBondContact O-N 3.14Å; E143-Y146 VanDerWaalsContact OE2-CE2 3.3Å; E143-Y146 WeakPolarHBondContact OE2-CE2 3.46Å; H144-Y146 PolarHBondContact O-N 3.36Å; Y146-D148 PolarHBondContact O-N 2.83Å; Y146-M149 HydrophobicContact CD1-CE 3.47Å; Y146-M149 VanDerWaalsContact CD1-CE 3.47Å; Y146-M149 HydrophobicContact CE1-CE 4.16Å; Y146-M149 HydrophobicContact CG-CE 4.24Å; Y146-M149 PolarHBondContact O-N 3Å; Y146-Y150 WeakPolarHBondContact O-CB 3.5Å; Y146-Y150 PolarHBondContact O-N 2.98Å |
| 147 | C | 90.8 | Very high | 90.1 | Very high | 9 Ų | 9 | 65 Ų | 65 | 6% | 0.061 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -53.7 | -49.3 | -178.4 | -77.1 | 0 | 0 | 0 | 0 | 112.5 | H144 M149 Y150 R151 I175 | H144-C147 PolarHBondContact O-N 2.87Å; H144-C147 PolarHBondContact O-SG 3.39Å; C147-M149 PolarHBondContact O-N 3.25Å; C147-Y150 PolarHBondContact O-N 2.8Å; C147-R151 VanDerWaalsContact O-CB 3.29Å; C147-R151 WeakPolarHBondContact O-CB 3.37Å; C147-R151 PolarHBondContact O-N 3.01Å; C147-I175 WeakPolarHBondContact CB-O 3.48Å; C147-I175 PolarHBondContact SG-O 3.01Å |
| 148 | D | 92.9 | Very high | 90 | Very high | 110 Ų | 110 | 64.9 Ų | 64.9 | 59% | 0.588 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -63.4 | -43.4 | -178.7 | -71.4 | -33.4 | 0 | 0 | 0 | 112 | Y146 Y150 R151 E152 | Y146-D148 PolarHBondContact O-N 2.83Å; D148-Y150 PolarHBondContact O-N 3.46Å; D148-R151 WeakPolarHBondContact O-CB 3.23Å; D148-R151 PolarHBondContact O-N 3.19Å; D148-E152 WeakPolarHBondContact O-CG 3.48Å; D148-E152 PolarHBondContact O-N 2.74Å |
| 149 | M | 92.1 | Very high | 89.8 | Confident | 74 Ų | 74 | 65.6 Ų | 65.6 | 37% | 0.365 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.8 | -40.9 | 177.9 | -168.4 | -177.5 | 64.8 | 0 | 0 | 111.6 | Y146 C147 S153 C219 | Y146-M149 HydrophobicContact CD1-CE 3.47Å; Y146-M149 VanDerWaalsContact CD1-CE 3.47Å; Y146-M149 HydrophobicContact CE1-CE 4.16Å; Y146-M149 HydrophobicContact CG-CE 4.24Å; Y146-M149 PolarHBondContact O-N 3Å; C147-M149 PolarHBondContact O-N 3.25Å; M149-S153 WeakPolarHBondContact O-CB 3.42Å; M149-S153 PolarHBondContact O-N 3.14Å; M149-S153 PolarHBondContact O-OG 3.29Å; M149-S153 VanDerWaalsContact O-OG 3.11Å; M149-C219 VanDerWaalsContact CE-SG 3.53Å; M149-C219 VanDerWaalsContact CG-SG 3.6Å; M149-C219 PolarHBondContact O-SG 2.83Å |
| 150 | Y | 92.6 | Very high | 89.7 | Confident | 42 Ų | 42 | 70.9 Ų | 70.9 | 17% | 0.165 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.3 | -45.3 | 174.8 | -97.5 | -109.3 | 0 | 0 | 0 | 111.3 | F142 Y146 C147 D148 E152 S153 L154 W217 C219 V224 M227 | F142-Y150 AromaticContact CE2-CD1 3.71Å; F142-Y150 HydrophobicContact CE2-CD1 3.71Å; F142-Y150 AromaticContact CE2-CD2 3.48Å; F142-Y150 HydrophobicContact CE2-CD2 3.48Å; F142-Y150 VanDerWaalsContact CE2-CD2 3.48Å; F142-Y150 AromaticContact CE2-CE1 3.74Å; F142-Y150 HydrophobicContact CE2-CE1 3.74Å; F142-Y150 AromaticContact CE2-CE2 3.52Å; F142-Y150 HydrophobicContact CE2-CE2 3.52Å; F142-Y150 AromaticContact CE2-CG 3.58Å; F142-Y150 HydrophobicContact CE2-CG 3.58Å; F142-Y150 AromaticContact CE2-CZ 3.64Å; F142-Y150 HydrophobicContact CZ-CD1 4.22Å; F142-Y150 AromaticContact CZ-CD2 3.63Å; F142-Y150 HydrophobicContact CZ-CD2 3.63Å; F142-Y150 HydrophobicContact CZ-CE2 4.11Å; F142-Y150 AromaticContact CZ-CG 3.69Å; F142-Y150 HydrophobicContact CZ-CG 3.69Å; Y146-Y150 WeakPolarHBondContact O-CB 3.5Å; Y146-Y150 PolarHBondContact O-N 2.98Å; C147-Y150 PolarHBondContact O-N 2.8Å; D148-Y150 PolarHBondContact O-N 3.46Å; Y150-E152 PolarHBondContact O-N 2.92Å; Y150-S153 WeakPolarHBondContact CA-OG 3.39Å; Y150-S153 PolarHBondContact O-N 2.74Å; Y150-S153 PolarHBondContact O-OG 3.24Å; Y150-L154 WeakPolarHBondContact O-CB 3.42Å; Y150-L154 PolarHBondContact O-N 3.31Å; Y150-W217 HydrophobicContact CD1-CZ2 4.3Å; Y150-W217 HydrophobicContact CE1-CZ2 4.46Å; Y150-C219 HydrophobicContact CD2-CB 4.37Å; Y150-C219 WeakPolarHBondContact CD2-SG 3.35Å; Y150-C219 HydrophobicContact CE2-CB 4.15Å; Y150-V224 HydrophobicContact CE1-CG1 3.91Å; Y150-V224 HydrophobicContact CE1-CG2 4.15Å; Y150-M227 HydrophobicContact CE1-CE 4.47Å |
| 151 | R | 95.1 | Very high | 89.9 | Confident | 41 Ų | 41 | 70 Ų | 70 | 16% | 0.155 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -55.7 | -52.3 | 176.3 | -176.3 | -149.8 | 62.1 | 77.8 | -10.2 | 110.2 | C147 D148 S153 D155 Q170 V172 I175 | C147-R151 VanDerWaalsContact O-CB 3.29Å; C147-R151 WeakPolarHBondContact O-CB 3.37Å; C147-R151 PolarHBondContact O-N 3.01Å; D148-R151 WeakPolarHBondContact O-CB 3.23Å; D148-R151 PolarHBondContact O-N 3.19Å; R151-S153 PolarHBondContact O-N 2.93Å; R151-D155 WeakPolarHBondContact O-CB 3.46Å; R151-D155 PolarHBondContact O-N 3.38Å; R151-Q170 VanDerWaalsContact NH1-NE2 3.17Å; R151-V172 HydrophobicContact CG-CB 4.44Å; R151-V172 HydrophobicContact CG-CG1 3.91Å; R151-I175 HydrophobicContact CB-CB 4.29Å; R151-I175 HydrophobicContact CB-CD1 4.06Å; R151-I175 HydrophobicContact CB-CG1 3.95Å; R151-I175 HydrophobicContact CG-CG1 4.31Å |
| 152 | E | 95 | Very high | 90.1 | Very high | 115 Ų | 115 | 63.8 Ų | 63.8 | 54% | 0.537 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.8 | -45.3 | 178.5 | -74.5 | 178.5 | -177 | 0 | 0 | 113 | D148 Y150 K156 | D148-E152 WeakPolarHBondContact O-CG 3.48Å; D148-E152 PolarHBondContact O-N 2.74Å; Y150-E152 PolarHBondContact O-N 2.92Å; E152-K156 WeakPolarHBondContact O-CB 3.44Å; E152-K156 PolarHBondContact O-N 3.12Å |
| 153 | S | 95.4 | Very high | 89.4 | Confident | 17 Ų | 17 | 71.7 Ų | 71.7 | 12% | 0.119 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -68.2 | -43.1 | -177.8 | 67.4 | 0 | 0 | 0 | 0 | 112.8 | M149 Y150 R151 A157 C219 | M149-S153 WeakPolarHBondContact O-CB 3.42Å; M149-S153 PolarHBondContact O-N 3.14Å; M149-S153 PolarHBondContact O-OG 3.29Å; M149-S153 VanDerWaalsContact O-OG 3.11Å; Y150-S153 WeakPolarHBondContact CA-OG 3.39Å; Y150-S153 PolarHBondContact O-N 2.74Å; Y150-S153 PolarHBondContact O-OG 3.24Å; R151-S153 PolarHBondContact O-N 2.93Å; S153-A157 PolarHBondContact O-N 3.29Å; S153-A157 VanDerWaalsContact O-N 3.09Å; S153-C219 WeakPolarHBondContact OG-CB 3.26Å; S153-C219 PolarHBondContact OG-SG 2.92Å |
| 154 | L | 95.2 | Very high | 88.4 | Confident | 1 Ų | 1 | 73.5 Ų | 73.5 | 1% | 0.005 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -69.5 | -41.3 | 176.5 | 173.1 | 64 | 0 | 0 | 0 | 110.5 | Y150 K156 A157 V158 V172 I175 V197 V212 W217 | Y150-L154 WeakPolarHBondContact O-CB 3.42Å; Y150-L154 PolarHBondContact O-N 3.31Å; L154-K156 VanDerWaalsContact C-N 3.34Å; L154-K156 PolarHBondContact O-N 3.35Å; L154-A157 PolarHBondContact O-N 3.49Å; L154-V158 HydrophobicContact CD1-CG2 3.73Å; L154-V158 HydrophobicContact CG-CG2 4.17Å; L154-V158 WeakPolarHBondContact O-CB 2.95Å; L154-V158 VanDerWaalsContact O-CG2 3.26Å; L154-V158 WeakPolarHBondContact O-CG2 3.46Å; L154-V158 PolarHBondContact O-N 2.98Å; L154-V172 HydrophobicContact CD2-CG1 4.47Å; L154-V172 HydrophobicContact CD2-CG2 3.96Å; L154-V172 HydrophobicContact CG-CG2 3.84Å; L154-I175 HydrophobicContact CD2-CD1 4.18Å; L154-V197 HydrophobicContact CD2-CG1 3.8Å; L154-V212 HydrophobicContact CD1-CG2 4.41Å; L154-W217 HydrophobicContact CB-CH2 4.26Å; L154-W217 HydrophobicContact CB-CZ2 4.11Å; L154-W217 HydrophobicContact CD1-CD2 4.16Å; L154-W217 HydrophobicContact CD1-CE3 3.44Å; L154-W217 VanDerWaalsContact CD1-CE3 3.44Å; L154-W217 HydrophobicContact CD1-CH2 3.57Å; L154-W217 HydrophobicContact CD1-CZ2 4.22Å; L154-W217 HydrophobicContact CD1-CZ3 3.12Å; L154-W217 HydrophobicContact CD2-CH2 4.12Å; L154-W217 HydrophobicContact CD2-CZ3 4.46Å; L154-W217 HydrophobicContact CG-CH2 4.15Å; L154-W217 HydrophobicContact CG-CZ3 4.17Å |
| 155 | D | 95 | Very high | 87.5 | Confident | 19 Ų | 19 | 70.6 Ų | 70.6 | 10% | 0.102 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -54.4 | -51.1 | 174.8 | -173.2 | 52 | 0 | 0 | 0 | 111.1 | R151 A157 V158 L159 A171 V172 | R151-D155 WeakPolarHBondContact O-CB 3.46Å; R151-D155 PolarHBondContact O-N 3.38Å; D155-A157 VanDerWaalsContact C-N 3.34Å; D155-A157 PolarHBondContact O-N 2.89Å; D155-V158 PolarHBondContact O-N 3.03Å; D155-L159 WeakPolarHBondContact O-CB 3.34Å; D155-L159 VanDerWaalsContact O-CG 3.25Å; D155-L159 WeakPolarHBondContact O-CG 3.37Å; D155-L159 PolarHBondContact O-N 3Å; D155-A171 WeakPolarHBondContact OD1-CA 3.46Å; D155-A171 WeakPolarHBondContact OD1-CB 3.46Å; D155-A171 PolarHBondContact OD1-N 3.26Å; D155-V172 HydrophobicContact CB-CB 4.03Å; D155-V172 HydrophobicContact CB-CG2 4.3Å; D155-V172 PolarHBondContact OD1-N 2.98Å |
| 156 | K | 93.6 | Very high | 86.8 | Confident | 153 Ų | 153 | 75.6 Ų | 75.6 | 67% | 0.665 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -58.5 | -43.9 | 176.3 | -175 | 180 | -179.5 | 179.9 | 0 | 112.4 | E152 L154 Q160 | E152-K156 WeakPolarHBondContact O-CB 3.44Å; E152-K156 PolarHBondContact O-N 3.12Å; L154-K156 VanDerWaalsContact C-N 3.34Å; L154-K156 PolarHBondContact O-N 3.35Å; K156-Q160 WeakPolarHBondContact O-CB 3.45Å; K156-Q160 PolarHBondContact O-N 2.68Å |
| 157 | A | 93.7 | Very high | 86.2 | Confident | 16 Ų | 16 | 75 Ų | 75 | 13% | 0.132 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65.1 | -43.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | S153 L154 D155 Q160 E161 I211 W217 | S153-A157 PolarHBondContact O-N 3.29Å; S153-A157 VanDerWaalsContact O-N 3.09Å; L154-A157 PolarHBondContact O-N 3.49Å; D155-A157 VanDerWaalsContact C-N 3.34Å; D155-A157 PolarHBondContact O-N 2.89Å; A157-Q160 WeakPolarHBondContact O-CB 3.38Å; A157-Q160 PolarHBondContact O-N 3.02Å; A157-E161 PolarHBondContact O-N 3.35Å; A157-E161 VanDerWaalsContact O-N 3.09Å; A157-I211 HydrophobicContact CB-CD1 4.1Å; A157-I211 HydrophobicContact CB-CG2 4.31Å; A157-W217 HydrophobicContact CB-CB 3.66Å; A157-W217 HydrophobicContact CB-CG 4.35Å |
| 158 | V | 93.8 | Very high | 85.8 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.4 | -47.5 | 177 | 172.1 | 0 | 0 | 0 | 0 | 110.6 | L154 D155 Q160 E161 L162 A171 V172 I204 A208 I211 | L154-V158 HydrophobicContact CD1-CG2 3.73Å; L154-V158 HydrophobicContact CG-CG2 4.17Å; L154-V158 WeakPolarHBondContact O-CB 2.95Å; L154-V158 VanDerWaalsContact O-CG2 3.26Å; L154-V158 WeakPolarHBondContact O-CG2 3.46Å; L154-V158 PolarHBondContact O-N 2.98Å; D155-V158 PolarHBondContact O-N 3.03Å; V158-Q160 VanDerWaalsContact C-N 3.26Å; V158-Q160 PolarHBondContact O-N 3.32Å; V158-E161 PolarHBondContact O-N 3.09Å; V158-E161 VanDerWaalsContact O-N 3.11Å; V158-L162 HydrophobicContact CG1-CD1 3.52Å; V158-L162 HydrophobicContact CG1-CG 3.96Å; V158-L162 WeakPolarHBondContact O-CB 3.45Å; V158-L162 VanDerWaalsContact O-CG 3.23Å; V158-L162 WeakPolarHBondContact O-CG 3.38Å; V158-L162 PolarHBondContact O-N 3Å; V158-A171 HydrophobicContact CB-CB 4.19Å; V158-A171 HydrophobicContact CG1-CB 3.57Å; V158-V172 HydrophobicContact CG2-CG2 4.49Å; V158-I204 HydrophobicContact CG1-CG2 3.63Å; V158-A208 HydrophobicContact CG2-CB 3.92Å; V158-I211 HydrophobicContact CB-CD1 4.37Å; V158-I211 HydrophobicContact CG2-CD1 3.78Å |
| 159 | L | 91.8 | Very high | 85.3 | Confident | 53 Ų | 53 | 75.6 Ų | 75.6 | 28% | 0.277 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.2 | -36.1 | 176.2 | -70.5 | 172.3 | 0 | 0 | 0 | 112.2 | D155 L162 V168 A171 | D155-L159 WeakPolarHBondContact O-CB 3.34Å; D155-L159 VanDerWaalsContact O-CG 3.25Å; D155-L159 WeakPolarHBondContact O-CG 3.37Å; D155-L159 PolarHBondContact O-N 3Å; L159-L162 PolarHBondContact O-N 2.89Å; L159-V168 HydrophobicContact CD2-CB 4.48Å; L159-V168 HydrophobicContact CD2-CG1 4.15Å; L159-V168 VanDerWaalsContact CD2-O 3.23Å; L159-V168 WeakPolarHBondContact CD2-O 3.35Å; L159-A171 HydrophobicContact CD2-CB 3.86Å; L159-A171 HydrophobicContact CG-CB 4.04Å |
| 160 | Q | 90.2 | Very high | 85.2 | Confident | 119 Ų | 119 | 75.1 Ų | 75.1 | 56% | 0.556 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -66.6 | -34 | 175.1 | 179.8 | 175.5 | -5.8 | 0 | 0 | 113.2 | K156 A157 V158 R163 | K156-Q160 WeakPolarHBondContact O-CB 3.45Å; K156-Q160 PolarHBondContact O-N 2.68Å; A157-Q160 WeakPolarHBondContact O-CB 3.38Å; A157-Q160 PolarHBondContact O-N 3.02Å; V158-Q160 VanDerWaalsContact C-N 3.26Å; V158-Q160 PolarHBondContact O-N 3.32Å; Q160-R163 VanDerWaalsContact O-CG 3.31Å; Q160-R163 WeakPolarHBondContact O-CG 3.46Å; Q160-R163 PolarHBondContact O-NE 2.49Å |
| 161 | E | 87.6 | Confident | 85.2 | Confident | 79 Ų | 79 | 73.1 Ų | 73.1 | 37% | 0.369 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -77.2 | -38.4 | 173.2 | -170.9 | 173.5 | 171.6 | 0 | 0 | 111.2 | A157 V158 R163 R210 I211 | A157-E161 PolarHBondContact O-N 3.35Å; A157-E161 VanDerWaalsContact O-N 3.09Å; V158-E161 PolarHBondContact O-N 3.09Å; V158-E161 VanDerWaalsContact O-N 3.11Å; E161-R163 PolarHBondContact O-N 3.04Å; E161-R210 IonicContact OE1-CZ 3.73Å; E161-R210 IonicContact OE1-NH1 3.88Å; E161-R210 PolarHBondContact OE1-NH1 2.84Å; E161-I211 HydrophobicContact CB-CD1 4.37Å; E161-I211 WeakPolarHBondContact OE2-CD1 3.46Å; E161-I211 WeakPolarHBondContact OE2-CG1 3.41Å |
| 162 | L | 83.3 | Confident | 85.2 | Confident | 25 Ų | 25 | 71.1 Ų | 71.1 | 13% | 0.131 | 33% | 0.331 | C | S | . | . | trans | -76 | 24.8 | -178.4 | -67.1 | -179 | 0 | 0 | 0 | 114.6 | V158 L159 I164 H165 A171 I204 A207 | V158-L162 HydrophobicContact CG1-CD1 3.52Å; V158-L162 HydrophobicContact CG1-CG 3.96Å; V158-L162 WeakPolarHBondContact O-CB 3.45Å; V158-L162 VanDerWaalsContact O-CG 3.23Å; V158-L162 WeakPolarHBondContact O-CG 3.38Å; V158-L162 PolarHBondContact O-N 3Å; L159-L162 PolarHBondContact O-N 2.89Å; L162-I164 PolarHBondContact O-N 3.31Å; L162-H165 PolarHBondContact O-N 3.22Å; L162-A171 HydrophobicContact CD1-CB 4.32Å; L162-I204 HydrophobicContact CD1-CD1 4.42Å; L162-I204 HydrophobicContact CD1-CG1 3.97Å; L162-I204 HydrophobicContact CD1-CG2 4.28Å; L162-A207 HydrophobicContact CD2-CB 4.05Å | ||
| 163 | R | 68.4 | Low | 85.1 | Confident | 195 Ų | 195 | 68.4 Ų | 68.4 | 74% | 0.736 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44 | -11.8 | -176.2 | -82.1 | 171.9 | -173.2 | -159.3 | -0.9 | 117 | Q160 E161 | Q160-R163 VanDerWaalsContact O-CG 3.31Å; Q160-R163 WeakPolarHBondContact O-CG 3.46Å; Q160-R163 PolarHBondContact O-NE 2.49Å; E161-R163 PolarHBondContact O-N 3.04Å |
| 164 | I | 58.4 | Low | 85.1 | Confident | 154 Ų | 154 | 70.7 Ų | 70.7 | 79% | 0.79 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -21.1 | 178.7 | -56 | 174.2 | 0 | 0 | 0 | 113 | L162 | L162-I164 PolarHBondContact O-N 3.31Š|
| 165 | H | 63.3 | Low | 85.2 | Confident | 67 Ų | 67 | 71 Ų | 71 | 31% | 0.31 | 33% | 0.334 | S | S | . | . | trans | -106.3 | 79.3 | -176.7 | -67.4 | -45.8 | 0 | 0 | 0 | 112.6 | L162 D167 V168 K203 | L162-H165 PolarHBondContact O-N 3.22Å; H165-D167 PolarHBondContact O-N 3.38Å; H165-D167 VanDerWaalsContact O-N 3.14Å; H165-V168 HydrophobicContact CB-CG2 4.2Å; H165-V168 PolarHBondContact O-N 3.17Å; H165-K203 PolarHBondContact CE1-NZ 3.21Å; H165-K203 PolarHBondContact ND1-NZ 3.5Å; H165-K203 PolarHBondContact NE2-NZ 3.09Å | ||
| 166 | K | 67.2 | Low | 85.2 | Confident | 190 Ų | 190 | 71.9 Ų | 71.9 | 83% | 0.826 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -18.6 | 178.8 | -67.4 | -175.4 | 178.3 | -179.8 | 0 | 114.3 | ||
| 167 | D | 74.7 | Confident | 85.2 | Confident | 97 Ų | 97 | 66.1 Ų | 66.1 | 52% | 0.519 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -9.3 | -174.4 | -47.2 | -43.5 | 0 | 0 | 0 | 113.7 | H165 | H165-D167 PolarHBondContact O-N 3.38Å; H165-D167 VanDerWaalsContact O-N 3.14Å |
| 168 | V | 81.9 | Confident | 85.2 | Confident | 7 Ų | 7 | 68 Ų | 68 | 4% | 0.042 | 33% | 0.327 | C | S | . | . | trans | -95.2 | 101.7 | 177.7 | -177.7 | 0 | 0 | 0 | 0 | 108 | L159 H165 Q170 A171 L201 I204 | L159-V168 HydrophobicContact CD2-CB 4.48Å; L159-V168 HydrophobicContact CD2-CG1 4.15Å; L159-V168 VanDerWaalsContact CD2-O 3.23Å; L159-V168 WeakPolarHBondContact CD2-O 3.35Å; H165-V168 HydrophobicContact CB-CG2 4.2Å; H165-V168 PolarHBondContact O-N 3.17Å; V168-Q170 WeakPolarHBondContact CG1-O 3.41Å; V168-A171 HydrophobicContact CG1-CB 3.98Å; V168-L201 HydrophobicContact CG2-CD1 3.8Å; V168-I204 HydrophobicContact CG1-CD1 3.99Å | ||
| 169 | K | 83.7 | Confident | 85.3 | Confident | 123 Ų | 123 | 72.2 Ų | 72.2 | 54% | 0.535 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -79.2 | -34.2 | 178.5 | -58.6 | -172.5 | -171.7 | 173.8 | 0 | 111.6 | E106 | E106-K169 VanDerWaalsContact O-CD 3.25Å; E106-K169 WeakPolarHBondContact O-CD 3.39Å; E106-K169 WeakPolarHBondContact O-CE 3.33Å; E106-K169 PolarHBondContact O-NZ 2.84Å; E106-K169 IonicContact OE2-NZ 2.72Å; E106-K169 PolarHBondContact OE2-NZ 2.8Å |
| 170 | Q | 89.9 | Confident | 85.4 | Confident | 64 Ų | 64 | 69.8 Ų | 69.8 | 30% | 0.299 | 34% | 0.337 | S | S | . | . | trans | -131.6 | 116 | 174.3 | -174.5 | 177.3 | 5.1 | 0 | 0 | 108.4 | Q107 R151 V168 V172 V173 A200 | Q107-Q170 PolarHBondContact NE2-O 2.91Å; R151-Q170 VanDerWaalsContact NH1-NE2 3.17Å; V168-Q170 WeakPolarHBondContact CG1-O 3.41Å; Q170-V172 VanDerWaalsContact CG-O 3.27Å; Q170-V172 WeakPolarHBondContact CG-O 3.41Å; Q170-V172 PolarHBondContact NE2-O 3.29Å; Q170-V173 PolarHBondContact NE2-O 3.43Å; Q170-A200 WeakPolarHBondContact O-CB 3.42Å | ||
| 171 | A | 92 | Very high | 85.6 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -85 | -40 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | D155 V158 L159 L162 V168 V199 A200 I204 | D155-A171 WeakPolarHBondContact OD1-CA 3.46Å; D155-A171 WeakPolarHBondContact OD1-CB 3.46Å; D155-A171 PolarHBondContact OD1-N 3.26Å; V158-A171 HydrophobicContact CB-CB 4.19Å; V158-A171 HydrophobicContact CG1-CB 3.57Å; L159-A171 HydrophobicContact CD2-CB 3.86Å; L159-A171 HydrophobicContact CG-CB 4.04Å; L162-A171 HydrophobicContact CD1-CB 4.32Å; V168-A171 HydrophobicContact CG1-CB 3.98Å; A171-V199 CarbonylContact O-C 3.55Å; A171-V199 VanDerWaalsContact O-CA 3.23Å; A171-V199 WeakPolarHBondContact O-CA 3.38Å; A171-V199 WeakPolarHBondContact O-CB 3.24Å; A171-A200 PolarHBondContact O-N 3.13Å; A171-I204 HydrophobicContact CB-CD1 4.03Å; A171-I204 HydrophobicContact CB-CG2 4.22Å |
| 172 | V | 95 | Very high | 85.9 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 109.7 | 175.9 | -174.6 | 0 | 0 | 0 | 0 | 109.5 | R151 L154 D155 V158 Q170 I175 V197 V199 | R151-V172 HydrophobicContact CG-CB 4.44Å; R151-V172 HydrophobicContact CG-CG1 3.91Å; L154-V172 HydrophobicContact CD2-CG1 4.47Å; L154-V172 HydrophobicContact CD2-CG2 3.96Å; L154-V172 HydrophobicContact CG-CG2 3.84Å; D155-V172 HydrophobicContact CB-CB 4.03Å; D155-V172 HydrophobicContact CB-CG2 4.3Å; D155-V172 PolarHBondContact OD1-N 2.98Å; V158-V172 HydrophobicContact CG2-CG2 4.49Å; Q170-V172 VanDerWaalsContact CG-O 3.27Å; Q170-V172 WeakPolarHBondContact CG-O 3.41Å; Q170-V172 PolarHBondContact NE2-O 3.29Å; V172-I175 HydrophobicContact CG1-CD1 4.26Å; V172-I175 HydrophobicContact CG1-CG1 3.92Å; V172-V197 HydrophobicContact CG1-CG1 4.02Å; V172-V199 HydrophobicContact CG2-CG1 4.49Å |
| 173 | V | 93.2 | Very high | 86.4 | Confident | 57 Ų | 57 | 62.1 Ų | 62.1 | 35% | 0.345 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | -44.9 | -173.5 | 178.2 | 0 | 0 | 0 | 0 | 110.7 | Q170 T198 A200 | Q170-V173 PolarHBondContact NE2-O 3.43Å; V173-T198 HydrophobicContact CB-CG2 4.35Å; V173-T198 PolarHBondContact N-O 2.65Å; V173-A200 HydrophobicContact CG2-CB 3.9Å |
| 174 | D | 95.4 | Very high | 87.5 | Confident | 65 Ų | 65 | 55.6 Ų | 55.6 | 35% | 0.348 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 149.4 | -176.3 | 179.3 | 51.1 | 0 | 0 | 0 | 111.3 | S176 T198 | D174-S176 PolarHBondContact OD2-OG 2.91Å; D174-S176 VanDerWaalsContact OD2-OG 3.06Å; D174-T198 PolarHBondContact N-O 3.32Å; D174-T198 PolarHBondContact O-N 3.45Å |
| 175 | I | 96.5 | Very high | 89.1 | Confident | 8 Ų | 8 | 49.7 Ų | 49.7 | 4% | 0.041 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 113.9 | 164.4 | -64 | -171.1 | 0 | 0 | 0 | 107.6 | C147 R151 L154 V172 L195 K196 V197 | C147-I175 WeakPolarHBondContact CB-O 3.48Å; C147-I175 PolarHBondContact SG-O 3.01Å; R151-I175 HydrophobicContact CB-CB 4.29Å; R151-I175 HydrophobicContact CB-CD1 4.06Å; R151-I175 HydrophobicContact CB-CG1 3.95Å; R151-I175 HydrophobicContact CG-CG1 4.31Å; L154-I175 HydrophobicContact CD2-CD1 4.18Å; V172-I175 HydrophobicContact CG1-CD1 4.26Å; V172-I175 HydrophobicContact CG1-CG1 3.92Å; I175-L195 HydrophobicContact CG2-CB 4.04Å; I175-L195 HydrophobicContact CG2-CD1 4.33Å; I175-L195 HydrophobicContact CG2-CD2 4.17Å; I175-L195 HydrophobicContact CG2-CG 4.4Å; I175-K196 WeakPolarHBondContact CA-O 3.25Å; I175-V197 HydrophobicContact CD1-CG2 4.37Å; I175-V197 HydrophobicContact CG1-CG1 4.49Å; I175-V197 HydrophobicContact CG1-CG2 4.38Å |
| 176 | S | 95.2 | Very high | 90.5 | Very high | 38 Ų | 38 | 46.8 Ų | 46.8 | 27% | 0.266 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 148.4 | 175.9 | 32.2 | 0 | 0 | 0 | 0 | 111 | D174 L195 K196 | D174-S176 PolarHBondContact OD2-OG 2.91Å; D174-S176 VanDerWaalsContact OD2-OG 3.06Å; S176-L195 CarbonylContact O-C 3.55Å; S176-L195 WeakPolarHBondContact O-CA 3.35Å; S176-K196 PolarHBondContact N-O 2.97Å; S176-K196 VanDerWaalsContact N-O 3.16Å; S176-K196 PolarHBondContact O-N 3.33Å |
| 177 | V | 94.7 | Very high | 91.6 | Very high | 32 Ų | 32 | 39.9 Ų | 39.9 | 19% | 0.194 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 134 | 175 | -173.9 | 0 | 0 | 0 | 0 | 109.1 | F142 H144 T193 F194 L195 | F142-V177 HydrophobicContact CD1-CG2 4Å; F142-V177 HydrophobicContact CE1-CG2 4.39Å; H144-V177 HydrophobicContact CB-CG2 4.48Å; V177-T193 HydrophobicContact CG1-CG2 3.34Å; V177-F194 WeakPolarHBondContact CA-O 3.46Å; V177-L195 HydrophobicContact CG2-CD2 4.1Å |
| 178 | I | 94.1 | Very high | 92.3 | Very high | 55 Ų | 55 | 39.1 Ų | 39.1 | 28% | 0.282 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 136.1 | 174.1 | -172.2 | 169.6 | 0 | 0 | 0 | 109.7 | L136 F194 K196 F564 | L136-I178 HydrophobicContact CD2-CG2 3.81Å; I178-F194 HydrophobicContact CG2-CB 3.87Å; I178-F194 PolarHBondContact N-O 2.89Å; I178-F194 WeakPolarHBondContact O-CA 3.3Å; I178-F194 WeakPolarHBondContact O-CB 3.28Å; I178-F194 PolarHBondContact O-N 3.03Å; I178-K196 HydrophobicContact CG2-CB 4.39Å; I178-F564 HydrophobicContact CD1-CZ 4Å; I178-F564 HydrophobicContact CG1-CZ 4.28Å; I178-F564 HydrophobicContact CG2-CE2 4.5Å; I178-F564 HydrophobicContact CG2-CZ 4.33Å |
| 179 | D | 94.2 | Very high | 92.3 | Very high | 88 Ų | 88 | 44.3 Ų | 44.3 | 47% | 0.471 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 139.5 | 173 | -69.7 | -30.5 | 0 | 0 | 0 | 110.4 | T193 | D179-T193 PolarHBondContact OD1-OG1 3.03Å |
| 180 | G | 94.4 | Very high | 92.4 | Very high | 2 Ų | 2 | 45.3 Ų | 45.3 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -173.8 | -157.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | T191 S192 N562 | G180-T191 CarbonylContact O-C 3.48Å; G180-T191 VanDerWaalsContact O-CA 3.26Å; G180-T191 WeakPolarHBondContact O-CA 3.34Å; G180-S192 PolarHBondContact N-O 3.23Å; G180-S192 VanDerWaalsContact N-O 3.12Å; G180-S192 PolarHBondContact O-N 3.02Å; G180-N562 CarbonylContact C-O 3.54Å; G180-N562 WeakPolarHBondContact CA-O 3.41Å |
| 181 | R | 93.6 | Very high | 92.5 | Very high | 29 Ų | 29 | 46.6 Ų | 46.6 | 11% | 0.109 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 157.7 | 177.5 | 61.5 | -177.6 | 173.2 | 159 | -3 | 111.9 | N562 I563 F564 | R181-N562 PolarHBondContact N-O 3.09Å; R181-I563 HydrophobicContact CG-CG1 3.83Å; R181-I563 CarbonylContact O-C 3.26Å; R181-I563 WeakPolarHBondContact O-CA 3.36Å; R181-F564 PolarHBondContact O-N 3.36Å |
| 182 | S | 94.1 | Very high | 92.6 | Very high | 34 Ų | 34 | 48.3 Ų | 48.3 | 24% | 0.238 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 145.4 | 167.2 | -178 | 0 | 0 | 0 | 0 | 110.5 | Y184 | S182-Y184 PolarHBondContact O-N 3.3Å; S182-Y184 PolarHBondContact OG-N 2.74Å |
| 183 | I | 94.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -64.9 | -23.7 | 170.3 | -162.4 | -179.2 | 0 | 0 | 0 | 112.7 | L554 T558 I563 F564 L565 Y613 T614 L649 L705 | I183-L554 HydrophobicContact CD1-CD2 3.95Å; I183-T558 HydrophobicContact CD1-CG2 3.77Å; I183-T558 HydrophobicContact CG1-CG2 4.3Å; I183-I563 VanDerWaalsContact CA-CG2 3.41Å; I183-I563 HydrophobicContact CB-CG2 3.53Å; I183-I563 HydrophobicContact CG1-CG2 3.81Å; I183-F564 PolarHBondContact N-O 3.01Å; I183-L565 HydrophobicContact CB-CD2 4.01Å; I183-L565 HydrophobicContact CD1-CD2 3.54Å; I183-L565 HydrophobicContact CG1-CD2 4.32Å; I183-L565 HydrophobicContact CG2-CD2 3.77Å; I183-Y613 HydrophobicContact CD1-CD2 4Å; I183-Y613 HydrophobicContact CD1-CG 4.3Å; I183-Y613 HydrophobicContact CG1-CG 4.45Å; I183-Y613 CarbonylContact O-C 3.58Å; I183-Y613 VanDerWaalsContact O-CB 3.29Å; I183-Y613 WeakPolarHBondContact O-CB 3.32Å; I183-T614 HydrophobicContact CG1-CG2 3.71Å; I183-T614 WeakPolarHBondContact O-CA 3.46Å; I183-T614 WeakPolarHBondContact O-CG2 3.35Å; I183-T614 PolarHBondContact O-N 2.89Å; I183-T614 VanDerWaalsContact O-N 3.17Å; I183-L649 HydrophobicContact CD1-CD1 4.33Å; I183-L649 HydrophobicContact CG1-CD1 4.34Å; I183-L705 HydrophobicContact CG2-CD2 3.67Å |
| 184 | Y | 92 | Very high | 92.7 | Very high | 57 Ų | 57 | 47 Ų | 47 | 22% | 0.224 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -82.3 | 132.1 | -176.6 | -81.8 | -87.6 | 0 | 0 | 0 | 112.5 | S182 P566 V568 Y613 L705 P706 | S182-Y184 PolarHBondContact O-N 3.3Å; S182-Y184 PolarHBondContact OG-N 2.74Å; Y184-P566 HydrophobicContact CD2-CG 3.45Å; Y184-P566 VanDerWaalsContact CD2-CG 3.45Å; Y184-P566 HydrophobicContact CE2-CG 3.48Å; Y184-P566 VanDerWaalsContact CE2-CG 3.48Å; Y184-V568 HydrophobicContact CE2-CG2 4.29Å; Y184-Y613 HydrophobicContact CD1-CD1 4.13Å; Y184-Y613 AromaticContact CE1-CD1 3.73Å; Y184-Y613 HydrophobicContact CE1-CD1 3.73Å; Y184-Y613 HydrophobicContact CE1-CE1 4.14Å; Y184-Y613 AromaticContact CZ-CD1 3.99Å; Y184-L705 HydrophobicContact CD2-CD2 4.41Å; Y184-L705 HydrophobicContact CE2-CD2 3.59Å; Y184-L705 HydrophobicContact CE2-CG 4.14Å; Y184-P706 PolarHBondContact OH-O 3.48Å |
| 185 | C | 91.7 | Very high | 92.7 | Very high | 30 Ų | 30 | 44 Ų | 44 | 20% | 0.203 | 23% | 0.231 | C | C | . | . | S | Bend | trans | 67.9 | 140.5 | 170.9 | -50.5 | 0 | 0 | 0 | 0 | 114.6 | Y613 L616 S618 | C185-Y613 WeakPolarHBondContact CA-O 3.24Å; C185-Y613 PolarHBondContact N-O 3.29Å; C185-L616 CarbonylContact C-O 3.54Å; C185-L616 WeakPolarHBondContact CA-O 3.16Å; C185-S618 WeakPolarHBondContact CB-OG 3.34Å; C185-S618 WeakPolarHBondContact SG-CB 3.37Å; C185-S618 PolarHBondContact SG-OG 3.31Å |
| 186 | F | 93.2 | Very high | 92.7 | Very high | 7 Ų | 7 | 46.7 Ų | 46.7 | 3% | 0.031 | 24% | 0.242 | C | C | . | . | trans | -70.7 | 130.5 | 172.9 | -178.5 | -99.6 | 0 | 0 | 0 | 110.5 | F188 L616 I617 V622 L626 V641 L645 C646 | F186-F188 AromaticContact CE1-CD1 3.87Å; F186-F188 HydrophobicContact CE1-CD1 3.87Å; F186-F188 HydrophobicContact CE1-CD2 4.48Å; F186-F188 HydrophobicContact CE1-CE1 4.04Å; F186-F188 HydrophobicContact CE1-CG 4.09Å; F186-F188 HydrophobicContact CE1-CZ 4.4Å; F186-F188 HydrophobicContact CZ-CD1 4.19Å; F186-F188 HydrophobicContact CZ-CG 4.49Å; F186-L616 PolarHBondContact N-O 3.38Å; F186-I617 HydrophobicContact CB-CG1 4.47Å; F186-V622 HydrophobicContact CD1-CG1 3.82Å; F186-V622 HydrophobicContact CE1-CG1 4.46Å; F186-L626 HydrophobicContact CD1-CD1 4.39Å; F186-L626 HydrophobicContact CE1-CD1 4.27Å; F186-L626 HydrophobicContact CE1-CD2 4.33Å; F186-V641 HydrophobicContact CB-CG1 4.15Å; F186-V641 HydrophobicContact CB-CG2 4.41Å; F186-V641 HydrophobicContact CD1-CG1 3.54Å; F186-V641 HydrophobicContact CD2-CB 4.44Å; F186-V641 HydrophobicContact CD2-CG1 3.97Å; F186-V641 HydrophobicContact CD2-CG2 3.68Å; F186-V641 HydrophobicContact CE1-CG1 3.86Å; F186-V641 HydrophobicContact CE2-CG1 4.25Å; F186-V641 HydrophobicContact CE2-CG2 4.11Å; F186-V641 HydrophobicContact CG-CB 4.47Å; F186-V641 HydrophobicContact CG-CG1 3.59Å; F186-V641 HydrophobicContact CG-CG2 4.02Å; F186-V641 HydrophobicContact CZ-CG1 4.2Å; F186-L645 HydrophobicContact CE1-CD2 4.1Å; F186-L645 HydrophobicContact CE2-CD2 4.37Å; F186-L645 HydrophobicContact CE2-CG 4.46Å; F186-L645 HydrophobicContact CZ-CD2 3.67Å; F186-L645 HydrophobicContact CZ-CG 4.05Å; F186-C646 HydrophobicContact CD2-CB 4.17Å; F186-C646 HydrophobicContact CE2-CB 3.79Å | ||
| 187 | N | 89.2 | Confident | 92.8 | Very high | 44 Ų | 44 | 45 Ų | 45 | 24% | 0.235 | 23% | 0.23 | C | C | . | . | trans | -139.8 | 32.1 | -174.6 | 72.5 | -14.7 | 0 | 0 | 0 | 113.4 | Q189 K190 | N187-Q189 PolarHBondContact O-N 2.99Å; N187-Q189 PolarHBondContact OD1-N 2.91Å; N187-K190 PolarHBondContact ND2-O 2.67Å; N187-K190 WeakPolarHBondContact O-CB 3.1Å; N187-K190 VanDerWaalsContact O-CG 3.29Å; N187-K190 WeakPolarHBondContact O-CG 3.15Å; N187-K190 PolarHBondContact O-N 2.86Å; N187-K190 VanDerWaalsContact O-N 3.13Å | ||
| 188 | F | 88.7 | Confident | 93 | Very high | 82 Ų | 82 | 44.1 Ų | 44.1 | 36% | 0.36 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 30.6 | -175.2 | -56.6 | -84.2 | 0 | 0 | 0 | 114.1 | F186 K190 V622 A625 L626 | F186-F188 AromaticContact CE1-CD1 3.87Å; F186-F188 HydrophobicContact CE1-CD1 3.87Å; F186-F188 HydrophobicContact CE1-CD2 4.48Å; F186-F188 HydrophobicContact CE1-CE1 4.04Å; F186-F188 HydrophobicContact CE1-CG 4.09Å; F186-F188 HydrophobicContact CE1-CZ 4.4Å; F186-F188 HydrophobicContact CZ-CD1 4.19Å; F186-F188 HydrophobicContact CZ-CG 4.49Å; F188-K190 PolarHBondContact O-N 3.27Å; F188-K190 VanDerWaalsContact O-N 3.09Å; F188-V622 HydrophobicContact CE2-CB 4.34Å; F188-V622 HydrophobicContact CE2-CG1 3.93Å; F188-V622 HydrophobicContact CE2-CG2 4.2Å; F188-V622 HydrophobicContact CZ-CG1 4.26Å; F188-A625 HydrophobicContact CE2-CB 4.23Å; F188-A625 HydrophobicContact CZ-CB 3.67Å; F188-L626 HydrophobicContact CE1-CD2 3.68Å; F188-L626 HydrophobicContact CE1-CG 4.17Å; F188-L626 HydrophobicContact CZ-CD2 4.14Å; F188-L626 HydrophobicContact CZ-CG 4.11Å |
| 189 | Q | 81.8 | Confident | 93 | Very high | 115 Ų | 115 | 41.5 Ų | 41.5 | 54% | 0.537 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58 | 21.9 | -177 | -53.2 | 179 | -15 | 0 | 0 | 113.6 | N187 T191 | N187-Q189 PolarHBondContact O-N 2.99Å; N187-Q189 PolarHBondContact OD1-N 2.91Å; Q189-T191 PolarHBondContact O-N 3.21Å |
| 190 | K | 87.8 | Confident | 92.9 | Very high | 144 Ų | 144 | 37.7 Ų | 37.7 | 63% | 0.626 | 19% | 0.192 | S | C | * | . | trans | -61.1 | 125 | 173.7 | -72 | 178.8 | -179.3 | -176.1 | 0 | 109.4 | N187 F188 | N187-K190 PolarHBondContact ND2-O 2.67Å; N187-K190 WeakPolarHBondContact O-CB 3.1Å; N187-K190 VanDerWaalsContact O-CG 3.29Å; N187-K190 WeakPolarHBondContact O-CG 3.15Å; N187-K190 PolarHBondContact O-N 2.86Å; N187-K190 VanDerWaalsContact O-N 3.13Å; F188-K190 PolarHBondContact O-N 3.27Å; F188-K190 VanDerWaalsContact O-N 3.09Å | ||
| 191 | T | 91.3 | Very high | 92.9 | Very high | 91 Ų | 91 | 37.6 Ų | 37.6 | 56% | 0.558 | 19% | 0.191 | S | C | * | . | trans | -80.1 | 153 | 172.1 | 52.5 | 0 | 0 | 0 | 0 | 110.1 | G180 Q189 | G180-T191 CarbonylContact O-C 3.48Å; G180-T191 VanDerWaalsContact O-CA 3.26Å; G180-T191 WeakPolarHBondContact O-CA 3.34Å; Q189-T191 PolarHBondContact O-N 3.21Å | ||
| 192 | S | 93.1 | Very high | 93 | Very high | 36 Ų | 36 | 37 Ų | 37 | 25% | 0.252 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 156.2 | 170 | -56.8 | 0 | 0 | 0 | 0 | 108 | G180 F194 | G180-S192 PolarHBondContact N-O 3.23Å; G180-S192 VanDerWaalsContact N-O 3.12Å; G180-S192 PolarHBondContact O-N 3.02Å; S192-F194 VanDerWaalsContact O-CD2 3.24Å; S192-F194 WeakPolarHBondContact O-CD2 3.42Å; S192-F194 WeakPolarHBondContact O-CE2 3.46Å |
| 193 | T | 94.4 | Very high | 92.9 | Very high | 28 Ų | 28 | 38.7 Ų | 38.7 | 17% | 0.172 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 126.6 | 179.9 | -55 | 0 | 0 | 0 | 0 | 109.6 | A139 F142 V177 D179 | A139-T193 CarbonylContact C-O 3.6Å; A139-T193 PolarHBondContact N-O 2.93Å; A139-T193 WeakPolarHBondContact O-CB 3.49Å; F142-T193 HydrophobicContact CB-CG2 4.29Å; V177-T193 HydrophobicContact CG1-CG2 3.34Å; D179-T193 PolarHBondContact OD1-OG1 3.03Å |
| 194 | F | 95.7 | Very high | 92.8 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 0% | 0.004 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 150.2 | 175.4 | -65.8 | -100.8 | 0 | 0 | 0 | 110.4 | L136 V137 L138 V177 I178 S192 F230 F564 | L136-F194 HydrophobicContact CB-CD1 4.42Å; V137-F194 CarbonylContact O-C 3.6Å; V137-F194 WeakPolarHBondContact O-CA 3.48Å; L138-F194 HydrophobicContact CB-CD1 4.27Å; L138-F194 HydrophobicContact CB-CE1 4.07Å; L138-F194 HydrophobicContact CD1-CD1 4.27Å; L138-F194 HydrophobicContact CD1-CE1 3.82Å; L138-F194 HydrophobicContact CD1-CE2 4.09Å; L138-F194 HydrophobicContact CD1-CZ 3.72Å; V177-F194 WeakPolarHBondContact CA-O 3.46Å; I178-F194 HydrophobicContact CG2-CB 3.87Å; I178-F194 PolarHBondContact N-O 2.89Å; I178-F194 WeakPolarHBondContact O-CA 3.3Å; I178-F194 WeakPolarHBondContact O-CB 3.28Å; I178-F194 PolarHBondContact O-N 3.03Å; S192-F194 VanDerWaalsContact O-CD2 3.24Å; S192-F194 WeakPolarHBondContact O-CD2 3.42Å; S192-F194 WeakPolarHBondContact O-CE2 3.46Å; F194-F230 HydrophobicContact CD1-CD2 4.27Å; F194-F230 HydrophobicContact CD1-CG 4.48Å; F194-F230 HydrophobicContact CE1-CD1 4.07Å; F194-F230 AromaticContact CE1-CD2 3.67Å; F194-F230 HydrophobicContact CE1-CD2 3.67Å; F194-F230 HydrophobicContact CE1-CE1 4.12Å; F194-F230 AromaticContact CE1-CE2 3.73Å; F194-F230 HydrophobicContact CE1-CE2 3.73Å; F194-F230 AromaticContact CE1-CG 3.87Å; F194-F230 HydrophobicContact CE1-CG 3.87Å; F194-F230 AromaticContact CE1-CZ 3.96Å; F194-F230 HydrophobicContact CE1-CZ 3.96Å; F194-F230 HydrophobicContact CZ-CE1 4.45Å; F194-F230 HydrophobicContact CZ-CZ 4.37Å; F194-F564 HydrophobicContact CB-CE2 4.44Å; F194-F564 HydrophobicContact CD1-CD2 4.08Å; F194-F564 AromaticContact CD2-CD2 3.77Å; F194-F564 HydrophobicContact CD2-CD2 3.77Å; F194-F564 AromaticContact CD2-CE2 3.71Å; F194-F564 HydrophobicContact CD2-CE2 3.71Å; F194-F564 HydrophobicContact CE1-CD2 4.05Å; F194-F564 AromaticContact CE2-CD2 3.75Å; F194-F564 HydrophobicContact CE2-CD2 3.75Å; F194-F564 HydrophobicContact CE2-CE2 4.06Å; F194-F564 AromaticContact CG-CD2 3.95Å; F194-F564 HydrophobicContact CG-CD2 3.95Å; F194-F564 HydrophobicContact CG-CE2 4.01Å; F194-F564 AromaticContact CZ-CD2 3.89Å; F194-F564 HydrophobicContact CZ-CD2 3.89Å |
| 195 | L | 96.4 | Very high | 93 | Very high | 4 Ų | 4 | 36.8 Ų | 36.8 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 122.9 | 166.6 | -54.7 | 179.2 | 0 | 0 | 0 | 108.7 | L136 V137 A139 F142 I175 S176 V177 V197 | L136-L195 CarbonylContact C-O 3.56Å; L136-L195 VanDerWaalsContact CA-O 3.32Å; L136-L195 WeakPolarHBondContact CA-O 3.34Å; V137-L195 HydrophobicContact CB-CB 4.26Å; V137-L195 PolarHBondContact N-O 3.49Å; V137-L195 PolarHBondContact O-N 2.76Å; A139-L195 HydrophobicContact CB-CD1 3.85Å; A139-L195 HydrophobicContact CB-CD2 4.37Å; A139-L195 HydrophobicContact CB-CG 3.72Å; F142-L195 HydrophobicContact CB-CD2 4.31Å; F142-L195 HydrophobicContact CD1-CD2 3.54Å; F142-L195 HydrophobicContact CD2-CD1 4.04Å; F142-L195 HydrophobicContact CD2-CD2 4.17Å; F142-L195 HydrophobicContact CE1-CD2 3.79Å; F142-L195 HydrophobicContact CE2-CD1 3.94Å; F142-L195 HydrophobicContact CE2-CD2 4.36Å; F142-L195 HydrophobicContact CG-CD1 4.44Å; F142-L195 HydrophobicContact CG-CD2 3.74Å; F142-L195 HydrophobicContact CZ-CD1 4.29Å; F142-L195 HydrophobicContact CZ-CD2 4.2Å; I175-L195 HydrophobicContact CG2-CB 4.04Å; I175-L195 HydrophobicContact CG2-CD1 4.33Å; I175-L195 HydrophobicContact CG2-CD2 4.17Å; I175-L195 HydrophobicContact CG2-CG 4.4Å; S176-L195 CarbonylContact O-C 3.55Å; S176-L195 WeakPolarHBondContact O-CA 3.35Å; V177-L195 HydrophobicContact CG2-CD2 4.1Å; L195-V197 HydrophobicContact CB-CG2 4.38Å; L195-V197 PolarHBondContact O-N 2.8Å |
| 196 | K | 96.9 | Very high | 93.1 | Very high | 64 Ų | 64 | 38.9 Ų | 38.9 | 28% | 0.278 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 102.9 | 166.1 | -176.5 | -177.9 | 178.7 | 179.2 | 0 | 108.5 | Y134 L136 I175 S176 I178 T198 | Y134-K196 HydrophobicContact CD2-CD 4.16Å; Y134-K196 HydrophobicContact CD2-CG 3.74Å; Y134-K196 HydrophobicContact CE2-CD 4.49Å; Y134-K196 HydrophobicContact CE2-CG 4.43Å; Y134-K196 HydrophobicContact CG-CD 4.34Å; Y134-K196 HydrophobicContact CG-CG 4.05Å; L136-K196 HydrophobicContact CD2-CB 3.94Å; L136-K196 HydrophobicContact CD2-CG 4.3Å; I175-K196 WeakPolarHBondContact CA-O 3.25Å; S176-K196 PolarHBondContact N-O 2.97Å; S176-K196 VanDerWaalsContact N-O 3.16Å; S176-K196 PolarHBondContact O-N 3.33Å; I178-K196 HydrophobicContact CG2-CB 4.39Å; K196-T198 PolarHBondContact O-N 3.43Å |
| 197 | V | 97.6 | Very high | 93.1 | Very high | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.018 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 104.8 | 179 | -177.1 | 0 | 0 | 0 | 0 | 108.3 | Y134 F135 V137 L154 V172 I175 L195 V199 | Y134-V197 WeakPolarHBondContact CA-O 3.28Å; Y134-V197 WeakPolarHBondContact CB-O 3.45Å; F135-V197 HydrophobicContact CD1-CB 4.19Å; F135-V197 HydrophobicContact CD1-CG1 4.46Å; F135-V197 HydrophobicContact CE1-CB 3.76Å; F135-V197 HydrophobicContact CE1-CG1 3.67Å; F135-V197 HydrophobicContact CE2-CB 4.44Å; F135-V197 HydrophobicContact CZ-CB 3.9Å; F135-V197 HydrophobicContact CZ-CG1 3.92Å; F135-V197 HydrophobicContact CZ-CG2 4.26Å; F135-V197 PolarHBondContact N-O 3.38Å; F135-V197 VanDerWaalsContact N-O 3.11Å; F135-V197 PolarHBondContact O-N 3.37Å; V137-V197 HydrophobicContact CG2-CG2 3.79Å; L154-V197 HydrophobicContact CD2-CG1 3.8Å; V172-V197 HydrophobicContact CG1-CG1 4.02Å; I175-V197 HydrophobicContact CD1-CG2 4.37Å; I175-V197 HydrophobicContact CG1-CG1 4.49Å; I175-V197 HydrophobicContact CG1-CG2 4.38Å; L195-V197 HydrophobicContact CB-CG2 4.38Å; L195-V197 PolarHBondContact O-N 2.8Å; V197-V199 HydrophobicContact CG1-CG1 4.18Å |
| 198 | T | 97.5 | Very high | 93.4 | Very high | 13 Ų | 13 | 37 Ų | 37 | 8% | 0.08 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 126.4 | 176.3 | -54.1 | 0 | 0 | 0 | 0 | 109.2 | P133 V173 D174 K196 | P133-T198 WeakPolarHBondContact O-CA 3.38Å; V173-T198 HydrophobicContact CB-CG2 4.35Å; V173-T198 PolarHBondContact N-O 2.65Å; D174-T198 PolarHBondContact N-O 3.32Å; D174-T198 PolarHBondContact O-N 3.45Å; K196-T198 PolarHBondContact O-N 3.43Å |
| 199 | V | 95.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 160.1 | -178.7 | -59 | 0 | 0 | 0 | 0 | 110.7 | P133 F135 A171 V172 V197 L201 I204 V205 | P133-V199 HydrophobicContact CB-CG2 4.16Å; P133-V199 VanDerWaalsContact CD-O 3.3Å; P133-V199 WeakPolarHBondContact CD-O 3.45Å; P133-V199 HydrophobicContact CG-CG2 3.82Å; P133-V199 VanDerWaalsContact CG-O 3.28Å; P133-V199 WeakPolarHBondContact CG-O 3.48Å; P133-V199 PolarHBondContact O-N 3.04Å; F135-V199 HydrophobicContact CE1-CG1 4.35Å; A171-V199 CarbonylContact O-C 3.55Å; A171-V199 VanDerWaalsContact O-CA 3.23Å; A171-V199 WeakPolarHBondContact O-CA 3.38Å; A171-V199 WeakPolarHBondContact O-CB 3.24Å; V172-V199 HydrophobicContact CG2-CG1 4.49Å; V197-V199 HydrophobicContact CG1-CG1 4.18Å; V199-L201 WeakPolarHBondContact CG2-O 3.44Å; V199-I204 HydrophobicContact CB-CB 4.14Å; V199-I204 HydrophobicContact CB-CG2 3.97Å; V199-I204 HydrophobicContact CG1-CG2 4.03Å; V199-I204 HydrophobicContact CG2-CB 4.14Å; V199-I204 HydrophobicContact CG2-CG2 4.42Å; V199-V205 HydrophobicContact CG2-CG2 3.7Å |
| 200 | A | 92.2 | Very high | 94.4 | Very high | 7 Ų | 7 | 37.2 Ų | 37.2 | 6% | 0.058 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -68.8 | -35.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q170 A171 V173 I204 | Q170-A200 WeakPolarHBondContact O-CB 3.42Å; A171-A200 PolarHBondContact O-N 3.13Å; V173-A200 HydrophobicContact CG2-CB 3.9Å; A200-I204 HydrophobicContact CB-CD1 4.11Å |
| 201 | L | 93.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -141.3 | 145.2 | -172.5 | -54.5 | 171 | 0 | 0 | 0 | 111.8 | H96 Q108 E109 A110 V168 V199 K203 I204 | H96-L201 HydrophobicContact CB-CD2 4.39Å; Q108-L201 HydrophobicContact CB-CD1 4.22Å; Q108-L201 HydrophobicContact CB-CD2 4.49Å; Q108-L201 HydrophobicContact CG-CD1 3.91Å; Q108-L201 HydrophobicContact CG-CD2 3.97Å; E109-L201 VanDerWaalsContact C-CD2 3.5Å; A110-L201 HydrophobicContact CB-CD2 4.2Å; V168-L201 HydrophobicContact CG2-CD1 3.8Å; V199-L201 WeakPolarHBondContact CG2-O 3.44Å; L201-K203 HydrophobicContact CB-CG 4.04Å; L201-K203 PolarHBondContact O-N 2.87Å; L201-K203 VanDerWaalsContact O-N 3.16Å; L201-I204 HydrophobicContact CB-CD1 4Å; L201-I204 HydrophobicContact CB-CG1 4.15Å; L201-I204 HydrophobicContact CG-CD1 4.34Å; L201-I204 VanDerWaalsContact O-CB 3.27Å; L201-I204 WeakPolarHBondContact O-CB 3.44Å; L201-I204 PolarHBondContact O-N 2.82Å |
| 202 | P | 94.8 | Very high | 94.9 | Very high | 17 Ų | 17 | 26.3 Ų | 26.3 | 11% | 0.11 | 13% | 0.131 | C | C | . | . | G | 310 helix | trans | -56.7 | -35.8 | -178.6 | -29 | 37.3 | 0 | 0 | 0 | 113.9 | Y94 A110 P133 I204 V205 F236 | Y94-P202 HydrophobicContact CD2-CG 4.22Å; Y94-P202 HydrophobicContact CE2-CB 4.21Å; Y94-P202 HydrophobicContact CE2-CG 3.74Å; A110-P202 HydrophobicContact CB-CG 4.36Å; P133-P202 HydrophobicContact CB-CG 4.22Å; P133-P202 HydrophobicContact CG-CG 4.16Å; P202-I204 PolarHBondContact O-N 3.24Å; P202-I204 VanDerWaalsContact O-N 3.07Å; P202-V205 WeakPolarHBondContact O-CB 3.31Å; P202-V205 WeakPolarHBondContact O-CG2 3.2Å; P202-V205 PolarHBondContact O-N 3.33Å; P202-V205 VanDerWaalsContact O-N 3.12Å; P202-F236 HydrophobicContact CB-CB 3.98Å; P202-F236 HydrophobicContact CB-CG 4.31Å; P202-F236 HydrophobicContact CG-CB 3.67Å; P202-F236 HydrophobicContact CG-CD1 3.55Å; P202-F236 HydrophobicContact CG-CD2 4.04Å; P202-F236 HydrophobicContact CG-CE1 4.13Å; P202-F236 HydrophobicContact CG-CG 3.49Å; P202-F236 VanDerWaalsContact CG-CG 3.49Å |
| 203 | K | 92 | Very high | 95 | Very high | 70 Ų | 70 | 26.6 Ų | 26.6 | 30% | 0.304 | 13% | 0.129 | S | C | . | . | G | 310 helix | trans | -62 | -14.2 | 177.5 | 65.3 | 173.2 | 177.5 | 174.3 | 0 | 114.6 | H165 L201 P206 | H165-K203 PolarHBondContact CE1-NZ 3.21Å; H165-K203 PolarHBondContact ND1-NZ 3.5Å; H165-K203 PolarHBondContact NE2-NZ 3.09Å; L201-K203 HydrophobicContact CB-CG 4.04Å; L201-K203 PolarHBondContact O-N 2.87Å; L201-K203 VanDerWaalsContact O-N 3.16Å; K203-P206 WeakPolarHBondContact O-CD 3.32Å |
| 204 | I | 94 | Very high | 95 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -81.6 | -28.1 | 179.1 | -61.4 | 175.8 | 0 | 0 | 0 | 111 | V158 L162 V168 A171 V199 A200 L201 P202 A207 A208 | V158-I204 HydrophobicContact CG1-CG2 3.63Å; L162-I204 HydrophobicContact CD1-CD1 4.42Å; L162-I204 HydrophobicContact CD1-CG1 3.97Å; L162-I204 HydrophobicContact CD1-CG2 4.28Å; V168-I204 HydrophobicContact CG1-CD1 3.99Å; A171-I204 HydrophobicContact CB-CD1 4.03Å; A171-I204 HydrophobicContact CB-CG2 4.22Å; V199-I204 HydrophobicContact CB-CB 4.14Å; V199-I204 HydrophobicContact CB-CG2 3.97Å; V199-I204 HydrophobicContact CG1-CG2 4.03Å; V199-I204 HydrophobicContact CG2-CB 4.14Å; V199-I204 HydrophobicContact CG2-CG2 4.42Å; A200-I204 HydrophobicContact CB-CD1 4.11Å; L201-I204 HydrophobicContact CB-CD1 4Å; L201-I204 HydrophobicContact CB-CG1 4.15Å; L201-I204 HydrophobicContact CG-CD1 4.34Å; L201-I204 VanDerWaalsContact O-CB 3.27Å; L201-I204 WeakPolarHBondContact O-CB 3.44Å; L201-I204 PolarHBondContact O-N 2.82Å; P202-I204 PolarHBondContact O-N 3.24Å; P202-I204 VanDerWaalsContact O-N 3.07Å; I204-A207 PolarHBondContact O-N 2.94Å; I204-A207 VanDerWaalsContact O-N 3.11Å; I204-A208 HydrophobicContact CG2-CB 4.48Å; I204-A208 PolarHBondContact O-N 3.36Å |
| 205 | V | 95.5 | Very high | 94.9 | Very high | 16 Ų | 16 | 29.1 Ų | 29.1 | 10% | 0.097 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -53.4 | -46.5 | -175.9 | 177.8 | 0 | 0 | 0 | 0 | 112.5 | F135 V199 P202 A207 A208 R209 S232 | F135-V205 HydrophobicContact CB-CG1 4.38Å; F135-V205 HydrophobicContact CD1-CG1 3.99Å; F135-V205 HydrophobicContact CD1-CG2 4.43Å; F135-V205 HydrophobicContact CG-CG1 4.3Å; V199-V205 HydrophobicContact CG2-CG2 3.7Å; P202-V205 WeakPolarHBondContact O-CB 3.31Å; P202-V205 WeakPolarHBondContact O-CG2 3.2Å; P202-V205 PolarHBondContact O-N 3.33Å; P202-V205 VanDerWaalsContact O-N 3.12Å; V205-A207 PolarHBondContact O-N 3.37Å; V205-A208 PolarHBondContact O-N 2.85Å; V205-R209 WeakPolarHBondContact O-CB 3.32Å; V205-R209 PolarHBondContact O-N 2.63Å; V205-S232 WeakPolarHBondContact CG1-O 3.33Å |
| 206 | P | 94.1 | Very high | 94.6 | Very high | 74 Ų | 74 | 32.9 Ų | 32.9 | 48% | 0.481 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -62.3 | -37.5 | 179.5 | -24.3 | 35.6 | 0 | 0 | 0 | 114.3 | K203 R210 | K203-P206 WeakPolarHBondContact O-CD 3.32Å; P206-R210 WeakPolarHBondContact O-CB 3.46Å; P206-R210 PolarHBondContact O-N 2.79Å; P206-R210 VanDerWaalsContact O-N 3.15Å |
| 207 | A | 93.7 | Very high | 94.3 | Very high | 10 Ų | 10 | 30.7 Ų | 30.7 | 8% | 0.083 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -69.4 | -55.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | L162 I204 V205 R209 R210 I211 | L162-A207 HydrophobicContact CD2-CB 4.05Å; I204-A207 PolarHBondContact O-N 2.94Å; I204-A207 VanDerWaalsContact O-N 3.11Å; V205-A207 PolarHBondContact O-N 3.37Å; A207-R209 VanDerWaalsContact C-N 3.29Å; A207-R209 PolarHBondContact O-N 3.48Å; A207-R210 WeakPolarHBondContact O-CB 3.08Å; A207-R210 PolarHBondContact O-N 2.99Å; A207-I211 WeakPolarHBondContact O-CG1 3.43Å; A207-I211 PolarHBondContact O-N 3.41Å; A207-I211 VanDerWaalsContact O-N 3.09Å |
| 208 | A | 95.4 | Very high | 94 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -53.1 | -47.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | F135 V158 I204 V205 R210 I211 V212 | F135-A208 HydrophobicContact CE1-CB 3.81Å; F135-A208 HydrophobicContact CZ-CB 3.87Å; V158-A208 HydrophobicContact CG2-CB 3.92Å; I204-A208 HydrophobicContact CG2-CB 4.48Å; I204-A208 PolarHBondContact O-N 3.36Å; V205-A208 PolarHBondContact O-N 2.85Å; A208-R210 VanDerWaalsContact C-N 3.35Å; A208-R210 PolarHBondContact O-N 3.44Å; A208-I211 PolarHBondContact O-N 3.49Å; A208-V212 WeakPolarHBondContact O-CG2 3.37Å; A208-V212 PolarHBondContact O-N 2.82Å |
| 209 | R | 95.1 | Very high | 93.6 | Very high | 51 Ų | 51 | 33.4 Ų | 33.4 | 19% | 0.192 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -53 | -48.3 | 173.8 | -179.2 | -161.4 | 172.6 | 172.7 | -2.5 | 112.4 | V205 A207 I211 V212 E213 T229 S232 T567 | V205-R209 WeakPolarHBondContact O-CB 3.32Å; V205-R209 PolarHBondContact O-N 2.63Å; A207-R209 VanDerWaalsContact C-N 3.29Å; A207-R209 PolarHBondContact O-N 3.48Å; R209-I211 PolarHBondContact O-N 2.85Å; R209-V212 PolarHBondContact O-N 2.73Å; R209-E213 HydrophobicContact CG-CG 4.29Å; R209-E213 IonicContact CZ-OE1 3.11Å; R209-E213 IonicContact NE-OE1 3.18Å; R209-E213 PolarHBondContact NE-OE1 2.8Å; R209-E213 IonicContact NE-OE2 3.89Å; R209-E213 IonicContact NH2-OE1 3.27Å; R209-E213 PolarHBondContact NH2-OE1 3.41Å; R209-E213 VanDerWaalsContact NH2-OE1 3.11Å; R209-E213 IonicContact NH2-OE2 3.06Å; R209-E213 WeakPolarHBondContact O-CB 3.41Å; R209-E213 WeakPolarHBondContact O-CG 3.39Å; R209-E213 PolarHBondContact O-N 2.96Å; R209-T229 HydrophobicContact CG-CG2 3.96Å; R209-S232 WeakPolarHBondContact CD-OG 3.35Å; R209-S232 PolarHBondContact NE-OG 3.17Å; R209-T567 VanDerWaalsContact NH1-CG2 3.33Å; R209-T567 VanDerWaalsContact NH2-CG2 3.28Å |
| 210 | R | 94.9 | Very high | 93.1 | Very high | 152 Ų | 152 | 36.5 Ų | 36.5 | 57% | 0.574 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -62 | -43.8 | -178.3 | -175.1 | -171.6 | -60.3 | 165 | -3.4 | 111.5 | E161 P206 A207 A208 V212 S214 | E161-R210 IonicContact OE1-CZ 3.73Å; E161-R210 IonicContact OE1-NH1 3.88Å; E161-R210 PolarHBondContact OE1-NH1 2.84Å; P206-R210 WeakPolarHBondContact O-CB 3.46Å; P206-R210 PolarHBondContact O-N 2.79Å; P206-R210 VanDerWaalsContact O-N 3.15Å; A207-R210 WeakPolarHBondContact O-CB 3.08Å; A207-R210 PolarHBondContact O-N 2.99Å; A208-R210 VanDerWaalsContact C-N 3.35Å; A208-R210 PolarHBondContact O-N 3.44Å; R210-V212 VanDerWaalsContact C-N 3.35Å; R210-S214 VanDerWaalsContact O-CB 3.31Å; R210-S214 WeakPolarHBondContact O-CB 3.27Å; R210-S214 PolarHBondContact O-N 3.48Å; R210-S214 PolarHBondContact O-OG 2.89Å |
| 211 | I | 95.9 | Very high | 92.8 | Very high | 5 Ų | 5 | 39.5 Ų | 39.5 | 3% | 0.026 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -67.3 | -39.9 | 179.3 | -42.5 | 175.9 | 0 | 0 | 0 | 110 | A157 V158 E161 A207 A208 R209 S214 G215 S216 W217 | A157-I211 HydrophobicContact CB-CD1 4.1Å; A157-I211 HydrophobicContact CB-CG2 4.31Å; V158-I211 HydrophobicContact CB-CD1 4.37Å; V158-I211 HydrophobicContact CG2-CD1 3.78Å; E161-I211 HydrophobicContact CB-CD1 4.37Å; E161-I211 WeakPolarHBondContact OE2-CD1 3.46Å; E161-I211 WeakPolarHBondContact OE2-CG1 3.41Å; A207-I211 WeakPolarHBondContact O-CG1 3.43Å; A207-I211 PolarHBondContact O-N 3.41Å; A207-I211 VanDerWaalsContact O-N 3.09Å; A208-I211 PolarHBondContact O-N 3.49Å; R209-I211 PolarHBondContact O-N 2.85Å; I211-S214 PolarHBondContact O-N 2.85Å; I211-S214 PolarHBondContact O-OG 3.4Å; I211-G215 PolarHBondContact O-N 2.98Å; I211-S216 VanDerWaalsContact CG2-OG 3.28Å; I211-S216 WeakPolarHBondContact CG2-OG 3.23Å; I211-S216 PolarHBondContact O-N 2.79Å; I211-W217 HydrophobicContact CB-CE3 3.86Å; I211-W217 HydrophobicContact CB-CZ3 4.26Å; I211-W217 HydrophobicContact CG2-CB 3.98Å; I211-W217 HydrophobicContact CG2-CD2 4.3Å; I211-W217 HydrophobicContact CG2-CE3 3.45Å; I211-W217 VanDerWaalsContact CG2-CE3 3.45Å; I211-W217 HydrophobicContact CG2-CZ3 4.31Å |
| 212 | V | 95.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.9 | -51.5 | 176 | 177.3 | 0 | 0 | 0 | 0 | 111.4 | F135 V137 L154 A208 R209 R210 S214 G215 W217 M227 T229 | F135-V212 HydrophobicContact CE2-CG2 4.13Å; F135-V212 HydrophobicContact CZ-CG2 4.05Å; V137-V212 HydrophobicContact CB-CG1 4.33Å; V137-V212 HydrophobicContact CG1-CG1 3.51Å; V137-V212 HydrophobicContact CG2-CG1 3.81Å; V137-V212 HydrophobicContact CG2-CG2 4.22Å; L154-V212 HydrophobicContact CD1-CG2 4.41Å; A208-V212 WeakPolarHBondContact O-CG2 3.37Å; A208-V212 PolarHBondContact O-N 2.82Å; R209-V212 PolarHBondContact O-N 2.73Å; R210-V212 VanDerWaalsContact C-N 3.35Å; V212-S214 VanDerWaalsContact C-N 3.26Å; V212-S214 PolarHBondContact O-N 2.86Å; V212-G215 PolarHBondContact O-N 3.28Å; V212-W217 HydrophobicContact CB-CH2 4.16Å; V212-W217 HydrophobicContact CB-CZ3 3.91Å; V212-W217 HydrophobicContact CG2-CH2 3.55Å; V212-W217 HydrophobicContact CG2-CZ3 3.45Å; V212-W217 VanDerWaalsContact CG2-CZ3 3.45Å; V212-M227 HydrophobicContact CG1-CB 4.01Å; V212-M227 HydrophobicContact CG1-CE 4.39Å; V212-M227 PolarHBondContact O-N 2.94Å; V212-T229 HydrophobicContact CB-CG2 4.11Å; V212-T229 HydrophobicContact CG1-CG2 3.8Å |
| 213 | E | 94.7 | Very high | 92.2 | Very high | 41 Ų | 41 | 53.5 Ų | 53.5 | 19% | 0.192 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -70.5 | -21.2 | -176.3 | -73.1 | -173.8 | -174.5 | 0 | 0 | 113.2 | R209 A226 M227 T229 R569 | R209-E213 HydrophobicContact CG-CG 4.29Å; R209-E213 IonicContact CZ-OE1 3.11Å; R209-E213 IonicContact NE-OE1 3.18Å; R209-E213 PolarHBondContact NE-OE1 2.8Å; R209-E213 IonicContact NE-OE2 3.89Å; R209-E213 IonicContact NH2-OE1 3.27Å; R209-E213 PolarHBondContact NH2-OE1 3.41Å; R209-E213 VanDerWaalsContact NH2-OE1 3.11Å; R209-E213 IonicContact NH2-OE2 3.06Å; R209-E213 WeakPolarHBondContact O-CB 3.41Å; R209-E213 WeakPolarHBondContact O-CG 3.39Å; R209-E213 PolarHBondContact O-N 2.96Å; E213-A226 VanDerWaalsContact O-CB 3.27Å; E213-A226 WeakPolarHBondContact O-CB 3.36Å; E213-M227 WeakPolarHBondContact CA-O 3.25Å; E213-T229 HydrophobicContact CG-CG2 3.74Å; E213-T229 PolarHBondContact OE1-OG1 3.28Å; E213-R569 IonicContact OE2-CZ 3.16Å; E213-R569 IonicContact OE2-NH2 2.7Å; E213-R569 PolarHBondContact OE2-NH2 2.72Å |
| 214 | S | 94.8 | Very high | 92.1 | Very high | 66 Ų | 66 | 50.5 Ų | 50.5 | 46% | 0.462 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -95.9 | -16.9 | 177.5 | 58 | 0 | 0 | 0 | 0 | 113.7 | R210 I211 V212 S216 | R210-S214 VanDerWaalsContact O-CB 3.31Å; R210-S214 WeakPolarHBondContact O-CB 3.27Å; R210-S214 PolarHBondContact O-N 3.48Å; R210-S214 PolarHBondContact O-OG 2.89Å; I211-S214 PolarHBondContact O-N 2.85Å; I211-S214 PolarHBondContact O-OG 3.4Å; V212-S214 VanDerWaalsContact C-N 3.26Å; V212-S214 PolarHBondContact O-N 2.86Å; S214-S216 PolarHBondContact O-N 2.99Å; S214-S216 WeakPolarHBondContact OG-CB 3.42Å; S214-S216 PolarHBondContact OG-OG 3.45Å |
| 215 | G | 92.3 | Very high | 91.9 | Very high | 17 Ų | 17 | 54.8 Ų | 54.8 | 18% | 0.175 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.3 | 25.4 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113 | I211 V212 W217 V224 | I211-G215 PolarHBondContact O-N 2.98Å; V212-G215 PolarHBondContact O-N 3.28Å; G215-W217 PolarHBondContact O-N 3.28Å; G215-W217 VanDerWaalsContact O-N 3.08Å; G215-V224 CarbonylContact C-O 3.52Å; G215-V224 WeakPolarHBondContact CA-O 3.1Å |
| 216 | S | 90.3 | Very high | 91.8 | Very high | 82 Ų | 82 | 57 Ų | 57 | 57% | 0.573 | 35% | 0.351 | S | S | * | . | trans | -83.3 | 30 | -173.7 | 54.2 | 0 | 0 | 0 | 0 | 114 | I211 S214 | I211-S216 VanDerWaalsContact CG2-OG 3.28Å; I211-S216 WeakPolarHBondContact CG2-OG 3.23Å; I211-S216 PolarHBondContact O-N 2.79Å; S214-S216 PolarHBondContact O-N 2.99Å; S214-S216 WeakPolarHBondContact OG-CB 3.42Å; S214-S216 PolarHBondContact OG-OG 3.45Å | ||
| 217 | W | 92.3 | Very high | 91.8 | Very high | 19 Ų | 19 | 54.5 Ų | 54.5 | 7% | 0.072 | 33% | 0.333 | C | S | . | . | trans | -137.1 | 164.1 | 171.5 | 87.1 | 73.5 | 0 | 0 | 0 | 112.5 | Y150 L154 A157 I211 V212 G215 V224 M227 | Y150-W217 HydrophobicContact CD1-CZ2 4.3Å; Y150-W217 HydrophobicContact CE1-CZ2 4.46Å; L154-W217 HydrophobicContact CB-CH2 4.26Å; L154-W217 HydrophobicContact CB-CZ2 4.11Å; L154-W217 HydrophobicContact CD1-CD2 4.16Å; L154-W217 HydrophobicContact CD1-CE3 3.44Å; L154-W217 VanDerWaalsContact CD1-CE3 3.44Å; L154-W217 HydrophobicContact CD1-CH2 3.57Å; L154-W217 HydrophobicContact CD1-CZ2 4.22Å; L154-W217 HydrophobicContact CD1-CZ3 3.12Å; L154-W217 HydrophobicContact CD2-CH2 4.12Å; L154-W217 HydrophobicContact CD2-CZ3 4.46Å; L154-W217 HydrophobicContact CG-CH2 4.15Å; L154-W217 HydrophobicContact CG-CZ3 4.17Å; A157-W217 HydrophobicContact CB-CB 3.66Å; A157-W217 HydrophobicContact CB-CG 4.35Å; I211-W217 HydrophobicContact CB-CE3 3.86Å; I211-W217 HydrophobicContact CB-CZ3 4.26Å; I211-W217 HydrophobicContact CG2-CB 3.98Å; I211-W217 HydrophobicContact CG2-CD2 4.3Å; I211-W217 HydrophobicContact CG2-CE3 3.45Å; I211-W217 VanDerWaalsContact CG2-CE3 3.45Å; I211-W217 HydrophobicContact CG2-CZ3 4.31Å; V212-W217 HydrophobicContact CB-CH2 4.16Å; V212-W217 HydrophobicContact CB-CZ3 3.91Å; V212-W217 HydrophobicContact CG2-CH2 3.55Å; V212-W217 HydrophobicContact CG2-CZ3 3.45Å; V212-W217 VanDerWaalsContact CG2-CZ3 3.45Å; G215-W217 PolarHBondContact O-N 3.28Å; G215-W217 VanDerWaalsContact O-N 3.08Å; W217-V224 HydrophobicContact CZ2-CB 4.5Å; W217-V224 HydrophobicContact CZ2-CG1 4.09Å; W217-V224 VanDerWaalsContact NE1-CG2 3.29Å; W217-V224 PolarHBondContact O-N 3.44Å; W217-M227 HydrophobicContact CH2-CE 4.39Å; W217-M227 HydrophobicContact CZ2-CE 4.43Å | ||
| 218 | S | 90.5 | Very high | 91.8 | Very high | 66 Ų | 66 | 57.4 Ų | 57.4 | 46% | 0.462 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 139.4 | 174.3 | 63.1 | 0 | 0 | 0 | 0 | 112.2 | R222 | S218-R222 CarbonylContact C-O 3.59Å; S218-R222 WeakPolarHBondContact CA-O 3.5Å; S218-R222 WeakPolarHBondContact CB-O 3.25Å |
| 219 | C | 88.6 | Confident | 91.9 | Very high | 7 Ų | 7 | 57.5 Ų | 57.5 | 5% | 0.047 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 125 | 175 | -168.2 | 0 | 0 | 0 | 0 | 109 | M149 Y150 S153 G221 R222 V224 | M149-C219 VanDerWaalsContact CE-SG 3.53Å; M149-C219 VanDerWaalsContact CG-SG 3.6Å; M149-C219 PolarHBondContact O-SG 2.83Å; Y150-C219 HydrophobicContact CD2-CB 4.37Å; Y150-C219 WeakPolarHBondContact CD2-SG 3.35Å; Y150-C219 HydrophobicContact CE2-CB 4.15Å; S153-C219 WeakPolarHBondContact OG-CB 3.26Å; S153-C219 PolarHBondContact OG-SG 2.92Å; C219-G221 PolarHBondContact O-N 2.89Å; C219-R222 PolarHBondContact N-O 3.05Å; C219-R222 PolarHBondContact O-N 3.11Å; C219-V224 HydrophobicContact CB-CG2 3.6Å |
| 220 | G | 86.2 | Confident | 91.9 | Very high | 65 Ų | 65 | 55.7 Ų | 55.7 | 67% | 0.67 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 29.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | R222 | G220-R222 VanDerWaalsContact C-N 3.31Å; G220-R222 PolarHBondContact O-N 3.1Å |
| 221 | G | 84.1 | Confident | 92 | Very high | 70 Ų | 70 | 48.8 Ų | 48.8 | 72% | 0.722 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.1 | -0.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | C219 | C219-G221 PolarHBondContact O-N 2.89Š|
| 222 | R | 87 | Confident | 91.9 | Very high | 199 Ų | 199 | 49.1 Ų | 49.1 | 75% | 0.751 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 133.5 | 176.7 | -62.5 | -178.4 | -178 | 179.8 | 1 | 110.6 | S218 C219 G220 V224 | S218-R222 CarbonylContact C-O 3.59Å; S218-R222 WeakPolarHBondContact CA-O 3.5Å; S218-R222 WeakPolarHBondContact CB-O 3.25Å; C219-R222 PolarHBondContact N-O 3.05Å; C219-R222 PolarHBondContact O-N 3.11Å; G220-R222 VanDerWaalsContact C-N 3.31Å; G220-R222 PolarHBondContact O-N 3.1Å; R222-V224 PolarHBondContact O-N 2.7Å |
| 223 | P | 89 | Confident | 91.8 | Very high | 112 Ų | 112 | 51.2 Ų | 51.2 | 73% | 0.727 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 135.8 | 172.1 | -22.6 | 33 | 0 | 0 | 0 | 111.2 | ||
| 224 | V | 90 | Very high | 91.7 | Very high | 6 Ų | 6 | 50.4 Ų | 50.4 | 4% | 0.036 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -92 | 128.9 | 174.5 | 178 | 0 | 0 | 0 | 0 | 108.6 | Y150 G215 W217 C219 R222 M227 | Y150-V224 HydrophobicContact CE1-CG1 3.91Å; Y150-V224 HydrophobicContact CE1-CG2 4.15Å; G215-V224 CarbonylContact C-O 3.52Å; G215-V224 WeakPolarHBondContact CA-O 3.1Å; W217-V224 HydrophobicContact CZ2-CB 4.5Å; W217-V224 HydrophobicContact CZ2-CG1 4.09Å; W217-V224 VanDerWaalsContact NE1-CG2 3.29Å; W217-V224 PolarHBondContact O-N 3.44Å; C219-V224 HydrophobicContact CB-CG2 3.6Å; R222-V224 PolarHBondContact O-N 2.7Å; V224-M227 HydrophobicContact CG1-CE 3.74Å |
| 225 | P | 90.9 | Very high | 91.7 | Very high | 92 Ų | 92 | 49.9 Ų | 49.9 | 60% | 0.597 | 32% | 0.322 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 154 | 178.7 | 27.5 | -35 | 0 | 0 | 0 | 111.3 | M227 | P225-M227 PolarHBondContact O-N 3.35Š|
| 226 | A | 93.1 | Very high | 91.9 | Very high | 63 Ų | 63 | 49.5 Ų | 49.5 | 52% | 0.521 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 129.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | E213 | E213-A226 VanDerWaalsContact O-CB 3.27Å; E213-A226 WeakPolarHBondContact O-CB 3.36Å |
| 227 | M | 94 | Very high | 92.1 | Very high | 21 Ų | 21 | 47.6 Ų | 47.6 | 10% | 0.103 | 30% | 0.298 | C | S | . | . | trans | -123 | 139.6 | 179.9 | -67.6 | 178.6 | -68.8 | 0 | 0 | 110.7 | V137 A139 Y150 V212 E213 W217 V224 P225 | V137-M227 HydrophobicContact CG1-CB 3.52Å; V137-M227 HydrophobicContact CG1-CE 3.92Å; V137-M227 HydrophobicContact CG1-CG 4.34Å; V137-M227 HydrophobicContact CG1-SD 3.97Å; A139-M227 HydrophobicContact CB-SD 3.99Å; Y150-M227 HydrophobicContact CE1-CE 4.47Å; V212-M227 HydrophobicContact CG1-CB 4.01Å; V212-M227 HydrophobicContact CG1-CE 4.39Å; V212-M227 PolarHBondContact O-N 2.94Å; E213-M227 WeakPolarHBondContact CA-O 3.25Å; W217-M227 HydrophobicContact CH2-CE 4.39Å; W217-M227 HydrophobicContact CZ2-CE 4.43Å; V224-M227 HydrophobicContact CG1-CE 3.74Å; P225-M227 PolarHBondContact O-N 3.35Å | ||
| 228 | P | 94.5 | Very high | 92.3 | Very high | 70 Ų | 70 | 46.8 Ų | 46.8 | 46% | 0.455 | 30% | 0.295 | S | S | . | . | trans | -74.5 | 142.6 | 178.9 | 29.1 | -30.3 | 0 | 0 | 0 | 111 | L138 | L138-P228 HydrophobicContact CB-CG 3.88Å; L138-P228 HydrophobicContact CD2-CG 3.94Å; L138-P228 HydrophobicContact CG-CG 4.5Å; L138-P228 PolarHBondContact N-O 3.13Å; L138-P228 VanDerWaalsContact N-O 3.1Å | ||
| 229 | T | 96.3 | Very high | 92.6 | Very high | 3 Ų | 3 | 44.2 Ų | 44.2 | 2% | 0.018 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 146.9 | -179.9 | 71.1 | 0 | 0 | 0 | 0 | 112.3 | F135 L136 V137 R209 V212 E213 S232 T567 | F135-T229 HydrophobicContact CD2-CG2 4.19Å; F135-T229 HydrophobicContact CE2-CG2 3.9Å; L136-T229 CarbonylContact O-C 3.59Å; L136-T229 WeakPolarHBondContact O-CA 3.36Å; V137-T229 HydrophobicContact CG2-CG2 4.41Å; R209-T229 HydrophobicContact CG-CG2 3.96Å; V212-T229 HydrophobicContact CB-CG2 4.11Å; V212-T229 HydrophobicContact CG1-CG2 3.8Å; E213-T229 HydrophobicContact CG-CG2 3.74Å; E213-T229 PolarHBondContact OE1-OG1 3.28Å; T229-S232 PolarHBondContact OG1-OG 2.85Å; T229-T567 WeakPolarHBondContact O-CB 3.15Å; T229-T567 PolarHBondContact O-N 2.71Å; T229-T567 PolarHBondContact O-OG1 2.99Å |
| 230 | F | 96.5 | Very high | 93 | Very high | 12 Ų | 12 | 43.9 Ų | 43.9 | 5% | 0.053 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 137.9 | 179.9 | -75 | -110.4 | 0 | 0 | 0 | 108.4 | L136 L138 F194 S232 F564 L565 P566 | L136-F230 HydrophobicContact CB-CB 3.75Å; L136-F230 PolarHBondContact N-O 3.22Å; L136-F230 PolarHBondContact O-N 2.98Å; L138-F230 HydrophobicContact CB-CD2 4.48Å; L138-F230 HydrophobicContact CB-CE2 3.98Å; F194-F230 HydrophobicContact CD1-CD2 4.27Å; F194-F230 HydrophobicContact CD1-CG 4.48Å; F194-F230 HydrophobicContact CE1-CD1 4.07Å; F194-F230 AromaticContact CE1-CD2 3.67Å; F194-F230 HydrophobicContact CE1-CD2 3.67Å; F194-F230 HydrophobicContact CE1-CE1 4.12Å; F194-F230 AromaticContact CE1-CE2 3.73Å; F194-F230 HydrophobicContact CE1-CE2 3.73Å; F194-F230 AromaticContact CE1-CG 3.87Å; F194-F230 HydrophobicContact CE1-CG 3.87Å; F194-F230 AromaticContact CE1-CZ 3.96Å; F194-F230 HydrophobicContact CE1-CZ 3.96Å; F194-F230 HydrophobicContact CZ-CE1 4.45Å; F194-F230 HydrophobicContact CZ-CZ 4.37Å; F230-S232 PolarHBondContact O-N 3.2Å; F230-F564 HydrophobicContact CB-CB 4.32Å; F230-F564 HydrophobicContact CD1-CB 3.81Å; F230-F564 HydrophobicContact CG-CB 4.41Å; F230-L565 CarbonylContact C-O 3.49Å; F230-L565 WeakPolarHBondContact CA-O 3.43Å; F230-L565 WeakPolarHBondContact CB-O 3.35Å; F230-L565 VanDerWaalsContact CD1-C 3.46Å; F230-P566 VanDerWaalsContact CD1-CA 3.41Å; F230-P566 HydrophobicContact CD1-CB 3.94Å; F230-P566 HydrophobicContact CE1-CB 3.63Å; F230-P566 HydrophobicContact CE1-CG 4.28Å; F230-P566 HydrophobicContact CZ-CB 3.98Å |
| 231 | E | 95.5 | Very high | 93.6 | Very high | 8 Ų | 8 | 40.8 Ų | 40.8 | 4% | 0.037 | 24% | 0.241 | C | C | . | . | S | Bend | trans | 56.4 | 20.1 | 175.3 | -55.8 | 178.7 | 176.2 | 0 | 0 | 115.2 | N233 I234 R239 L555 F564 L565 T567 | E231-N233 PolarHBondContact O-N 3.41Å; E231-I234 HydrophobicContact CB-CG1 3.92Å; E231-I234 WeakPolarHBondContact O-CG1 3.47Å; E231-I234 PolarHBondContact O-N 3.21Å; E231-R239 VanDerWaalsContact CB-NH2 3.28Å; E231-R239 IonicContact OE2-CZ 3.46Å; E231-R239 IonicContact OE2-NH1 2.72Å; E231-R239 PolarHBondContact OE2-NH1 2.92Å; E231-R239 IonicContact OE2-NH2 3.33Å; E231-R239 PolarHBondContact OE2-NH2 2.88Å; E231-L555 HydrophobicContact CG-CD2 4.28Å; E231-F564 WeakPolarHBondContact OE1-CA 3.29Å; E231-L565 HydrophobicContact CG-CB 3.94Å; E231-L565 WeakPolarHBondContact CG-O 3.44Å; E231-L565 PolarHBondContact N-O 3.31Å; E231-L565 PolarHBondContact OE1-N 2.9Å; E231-T567 PolarHBondContact N-OG1 2.82Å |
| 232 | S | 95 | Very high | 94.2 | Very high | 12 Ų | 12 | 37.5 Ų | 37.5 | 8% | 0.084 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -0.7 | -179.5 | 66.4 | 0 | 0 | 0 | 0 | 113.4 | V205 R209 T229 F230 T567 | V205-S232 WeakPolarHBondContact CG1-O 3.33Å; R209-S232 WeakPolarHBondContact CD-OG 3.35Å; R209-S232 PolarHBondContact NE-OG 3.17Å; T229-S232 PolarHBondContact OG1-OG 2.85Å; F230-S232 PolarHBondContact O-N 3.2Å; S232-T567 PolarHBondContact N-OG1 3.47Å; S232-T567 WeakPolarHBondContact OG-CG2 3.24Å; S232-T567 PolarHBondContact OG-OG1 3.01Å |
| 233 | N | 92 | Very high | 94.6 | Very high | 44 Ų | 44 | 29.1 Ų | 29.1 | 24% | 0.235 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.5 | 20.3 | 175.2 | 70.4 | -14.1 | 0 | 0 | 0 | 113 | E231 T567 K704 | E231-N233 PolarHBondContact O-N 3.41Å; N233-T567 HydrophobicContact CB-CG2 3.8Å; N233-K704 PolarHBondContact O-NZ 3.29Å |
| 234 | I | 94 | Very high | 94.9 | Very high | 24 Ų | 24 | 25 Ų | 25 | 12% | 0.123 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -92.4 | 127.8 | 174 | -55.7 | -48.4 | 0 | 0 | 0 | 108.7 | E231 I238 R239 I551 L555 | E231-I234 HydrophobicContact CB-CG1 3.92Å; E231-I234 WeakPolarHBondContact O-CG1 3.47Å; E231-I234 PolarHBondContact O-N 3.21Å; I234-I238 HydrophobicContact CG2-CB 4.36Å; I234-I238 HydrophobicContact CG2-CG2 4.14Å; I234-R239 HydrophobicContact CG2-CB 4.06Å; I234-I551 HydrophobicContact CD1-CG2 4.13Å; I234-L555 HydrophobicContact CD1-CD1 3.84Å; I234-L555 HydrophobicContact CD1-CD2 4.39Å; I234-L555 HydrophobicContact CG1-CD1 4.08Å; I234-L555 HydrophobicContact CG1-CD2 4.27Å; I234-L555 HydrophobicContact CG2-CD1 3.83Å |
| 235 | D | 93.4 | Very high | 95.2 | Very high | 56 Ų | 56 | 26.6 Ų | 26.6 | 30% | 0.299 | 17% | 0.167 | S | C | . | . | trans | -67.5 | 145.3 | 179.7 | -52.7 | -47 | 0 | 0 | 0 | 109.8 | E237 I238 R239 R544 | D235-E237 VanDerWaalsContact C-N 3.29Å; D235-E237 PolarHBondContact O-N 2.65Å; D235-I238 HydrophobicContact CB-CG1 4.28Å; D235-I238 PolarHBondContact O-N 3.11Å; D235-I238 VanDerWaalsContact O-N 3.14Å; D235-R239 PolarHBondContact O-N 2.68Å; D235-R544 IonicContact OD2-CZ 2.86Å; D235-R544 IonicContact OD2-NH1 2.82Å; D235-R544 PolarHBondContact OD2-NH1 2.87Å; D235-R544 IonicContact OD2-NH2 3.22Å; D235-R544 PolarHBondContact OD2-NH2 3.17Å | ||
| 236 | F | 96.7 | Very high | 95.5 | Very high | 9 Ų | 9 | 22.2 Ų | 22.2 | 4% | 0.039 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.5 | -38.3 | -169.7 | 179.8 | -128.5 | 0 | 0 | 0 | 112.8 | Y94 A110 L112 F131 P133 P202 R239 F240 | Y94-F236 AromaticContact CD1-CD1 3.89Å; Y94-F236 HydrophobicContact CD1-CD1 3.89Å; Y94-F236 HydrophobicContact CD2-CD1 4.26Å; Y94-F236 HydrophobicContact CE1-CB 4.38Å; Y94-F236 HydrophobicContact CE1-CD1 4.38Å; Y94-F236 AromaticContact CG-CD1 3.82Å; Y94-F236 HydrophobicContact CG-CD1 3.82Å; Y94-F236 HydrophobicContact CG-CE1 4.31Å; A110-F236 HydrophobicContact CB-CE1 3.86Å; A110-F236 HydrophobicContact CB-CZ 4.15Å; L112-F236 HydrophobicContact CD1-CE1 4.18Å; L112-F236 HydrophobicContact CD1-CZ 4.23Å; L112-F236 HydrophobicContact CD2-CD1 3.97Å; L112-F236 HydrophobicContact CD2-CE1 3.86Å; L112-F236 HydrophobicContact CG-CD1 4.39Å; L112-F236 HydrophobicContact CG-CE1 3.76Å; L112-F236 HydrophobicContact CG-CZ 4.29Å; F131-F236 HydrophobicContact CD1-CD2 4.35Å; F131-F236 AromaticContact CD1-CE2 3.43Å; F131-F236 HydrophobicContact CD1-CE2 3.43Å; F131-F236 VanDerWaalsContact CD1-CE2 3.43Å; F131-F236 AromaticContact CD1-CZ 3.73Å; F131-F236 HydrophobicContact CD1-CZ 3.73Å; F131-F236 HydrophobicContact CE1-CD2 4.19Å; F131-F236 AromaticContact CE1-CE2 3.65Å; F131-F236 HydrophobicContact CE1-CE2 3.65Å; F131-F236 HydrophobicContact CE1-CZ 4.37Å; F131-F236 WeakPolarHBondContact O-CZ 3.31Å; P133-F236 HydrophobicContact CB-CD2 3.7Å; P133-F236 HydrophobicContact CB-CE2 3.79Å; P133-F236 HydrophobicContact CG-CD2 4.48Å; P133-F236 HydrophobicContact CG-CE2 4.22Å; P202-F236 HydrophobicContact CB-CB 3.98Å; P202-F236 HydrophobicContact CB-CG 4.31Å; P202-F236 HydrophobicContact CG-CB 3.67Å; P202-F236 HydrophobicContact CG-CD1 3.55Å; P202-F236 HydrophobicContact CG-CD2 4.04Å; P202-F236 HydrophobicContact CG-CE1 4.13Å; P202-F236 HydrophobicContact CG-CG 3.49Å; P202-F236 VanDerWaalsContact CG-CG 3.49Å; F236-R239 WeakPolarHBondContact O-CB 3.4Å; F236-R239 PolarHBondContact O-N 3.15Å; F236-F240 WeakPolarHBondContact O-CB 3.28Å; F236-F240 PolarHBondContact O-N 2.88Å |
| 237 | E | 95.7 | Very high | 95.6 | Very high | 42 Ų | 42 | 20.7 Ų | 20.7 | 20% | 0.196 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -67.7 | -41.8 | 178.1 | -50.2 | 91.8 | 147.5 | 0 | 0 | 111.1 | V92 Y94 L112 D235 F240 M241 | V92-E237 HydrophobicContact CB-CB 4.38Å; V92-E237 HydrophobicContact CG1-CB 4.27Å; V92-E237 HydrophobicContact CG1-CG 4.3Å; Y94-E237 HydrophobicContact CD1-CG 4.03Å; Y94-E237 VanDerWaalsContact CD1-OE1 3.32Å; Y94-E237 WeakPolarHBondContact CD1-OE1 3.37Å; Y94-E237 VanDerWaalsContact CE1-OE1 3.22Å; Y94-E237 WeakPolarHBondContact CE1-OE1 3.44Å; L112-E237 HydrophobicContact CD2-CG 4.42Å; D235-E237 VanDerWaalsContact C-N 3.29Å; D235-E237 PolarHBondContact O-N 2.65Å; E237-F240 PolarHBondContact O-N 2.87Å; E237-M241 WeakPolarHBondContact O-CB 3.47Å; E237-M241 VanDerWaalsContact O-CG 3.25Å; E237-M241 WeakPolarHBondContact O-CG 3.11Å; E237-M241 PolarHBondContact O-N 3.49Å |
| 238 | I | 95.4 | Very high | 95.6 | Very high | 2 Ų | 2 | 19.7 Ų | 19.7 | 1% | 0.01 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -66.2 | -44.3 | 175.9 | -63.5 | -58.1 | 0 | 0 | 0 | 110.1 | I234 D235 M241 V242 V536 I540 L555 | I234-I238 HydrophobicContact CG2-CB 4.36Å; I234-I238 HydrophobicContact CG2-CG2 4.14Å; D235-I238 HydrophobicContact CB-CG1 4.28Å; D235-I238 PolarHBondContact O-N 3.11Å; D235-I238 VanDerWaalsContact O-N 3.14Å; I238-M241 PolarHBondContact O-N 3.18Å; I238-V242 HydrophobicContact CG2-CG2 4.35Å; I238-V242 WeakPolarHBondContact O-CB 3.14Å; I238-V242 VanDerWaalsContact O-CG2 3.26Å; I238-V242 WeakPolarHBondContact O-CG2 3.49Å; I238-V242 PolarHBondContact O-N 2.95Å; I238-V536 HydrophobicContact CD1-CB 4.28Å; I238-V536 HydrophobicContact CD1-CG1 4.04Å; I238-I540 HydrophobicContact CD1-CD1 3.68Å; I238-I540 HydrophobicContact CG1-CD1 4.3Å; I238-L555 HydrophobicContact CG2-CD1 4.23Å |
| 239 | R | 96.6 | Very high | 95.7 | Very high | 12 Ų | 12 | 16.3 Ų | 16.3 | 5% | 0.045 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -55.9 | -52.3 | 174.5 | 169.4 | 56 | 64.4 | -166.5 | 0.6 | 110.9 | F131 Y134 E231 I234 D235 F236 M241 V242 D243 | F131-R239 HydrophobicContact CE1-CG 4.11Å; F131-R239 HydrophobicContact CZ-CG 3.97Å; Y134-R239 HydrophobicContact CE1-CG 4.13Å; Y134-R239 WeakPolarHBondContact OH-CD 3.49Å; Y134-R239 PolarHBondContact OH-NH1 3.33Å; E231-R239 VanDerWaalsContact CB-NH2 3.28Å; E231-R239 IonicContact OE2-CZ 3.46Å; E231-R239 IonicContact OE2-NH1 2.72Å; E231-R239 PolarHBondContact OE2-NH1 2.92Å; E231-R239 IonicContact OE2-NH2 3.33Å; E231-R239 PolarHBondContact OE2-NH2 2.88Å; I234-R239 HydrophobicContact CG2-CB 4.06Å; D235-R239 PolarHBondContact O-N 2.68Å; F236-R239 WeakPolarHBondContact O-CB 3.4Å; F236-R239 PolarHBondContact O-N 3.15Å; R239-M241 PolarHBondContact O-N 3.49Å; R239-V242 PolarHBondContact O-N 2.67Å; R239-D243 VanDerWaalsContact CD-CG 3.46Å; R239-D243 VanDerWaalsContact CD-OD1 3.29Å; R239-D243 WeakPolarHBondContact CD-OD1 3.43Å; R239-D243 VanDerWaalsContact CD-OD2 3.26Å; R239-D243 WeakPolarHBondContact CD-OD2 3.4Å; R239-D243 IonicContact NH1-OD1 3.45Å; R239-D243 PolarHBondContact NH1-OD1 3.26Å; R239-D243 WeakPolarHBondContact O-CB 3.32Å; R239-D243 PolarHBondContact O-N 3.07Å |
| 240 | F | 97.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -53.7 | -53.8 | 176.6 | 168.5 | -109.6 | 0 | 0 | 0 | 111.3 | L112 I114 V128 F131 F236 E237 V242 D243 V244 M246 W279 L282 | L112-F240 HydrophobicContact CD1-CB 3.8Å; L112-F240 HydrophobicContact CD1-CD1 3.78Å; L112-F240 HydrophobicContact CD1-CD2 3.34Å; L112-F240 HydrophobicContact CD1-CE1 4.17Å; L112-F240 HydrophobicContact CD1-CE2 3.76Å; L112-F240 HydrophobicContact CD1-CG 3.34Å; L112-F240 HydrophobicContact CD1-CZ 4.15Å; L112-F240 HydrophobicContact CD2-CB 4.26Å; L112-F240 HydrophobicContact CD2-CD1 4.2Å; L112-F240 HydrophobicContact CD2-CG 4.26Å; L112-F240 HydrophobicContact CG-CG 4.42Å; I114-F240 HydrophobicContact CD1-CE1 3.91Å; I114-F240 HydrophobicContact CD1-CZ 4.18Å; V128-F240 HydrophobicContact CG1-CE2 4.02Å; V128-F240 HydrophobicContact CG1-CZ 3.98Å; F131-F240 HydrophobicContact CB-CD2 4.29Å; F131-F240 HydrophobicContact CD1-CB 3.97Å; F131-F240 AromaticContact CD1-CD2 3.88Å; F131-F240 HydrophobicContact CD1-CD2 3.88Å; F131-F240 HydrophobicContact CD1-CG 4.37Å; F131-F240 AromaticContact CD2-CD2 3.93Å; F131-F240 HydrophobicContact CD2-CD2 3.93Å; F131-F240 HydrophobicContact CE1-CB 3.67Å; F131-F240 HydrophobicContact CE1-CD2 4.2Å; F131-F240 HydrophobicContact CE1-CG 4.45Å; F131-F240 HydrophobicContact CE2-CD2 4.23Å; F131-F240 AromaticContact CG-CD2 3.75Å; F131-F240 HydrophobicContact CG-CD2 3.75Å; F131-F240 HydrophobicContact CG-CE2 4.48Å; F131-F240 HydrophobicContact CZ-CB 4.13Å; F131-F240 HydrophobicContact CZ-CD2 4.37Å; F236-F240 WeakPolarHBondContact O-CB 3.28Å; F236-F240 PolarHBondContact O-N 2.88Å; E237-F240 PolarHBondContact O-N 2.87Å; F240-V242 VanDerWaalsContact C-N 3.29Å; F240-V242 PolarHBondContact O-N 3.32Å; F240-D243 PolarHBondContact O-N 3.21Å; F240-D243 VanDerWaalsContact O-N 3.14Å; F240-V244 HydrophobicContact CD2-CG1 3.92Å; F240-V244 HydrophobicContact CE1-CG2 4.4Å; F240-V244 HydrophobicContact CE2-CG1 3.66Å; F240-V244 HydrophobicContact CE2-CG2 4.19Å; F240-V244 HydrophobicContact CZ-CG1 4.36Å; F240-V244 HydrophobicContact CZ-CG2 4.12Å; F240-V244 WeakPolarHBondContact O-CG2 3.37Å; F240-V244 PolarHBondContact O-N 3.29Å; F240-M246 HydrophobicContact CE1-CE 3.77Å; F240-M246 HydrophobicContact CE1-SD 4.08Å; F240-M246 HydrophobicContact CZ-CE 4.04Å; F240-W279 HydrophobicContact CE2-CB 3.97Å; F240-L282 HydrophobicContact CE2-CD1 4.46Å; F240-L282 HydrophobicContact CZ-CD1 3.77Å |
| 241 | M | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -59.5 | -36.9 | -179 | -75.2 | 180 | 65.3 | 0 | 0 | 113.5 | V92 E237 I238 R239 G245 M246 T247 G535 C537 R556 | V92-M241 HydrophobicContact CG2-SD 4.24Å; E237-M241 WeakPolarHBondContact O-CB 3.47Å; E237-M241 VanDerWaalsContact O-CG 3.25Å; E237-M241 WeakPolarHBondContact O-CG 3.11Å; E237-M241 PolarHBondContact O-N 3.49Å; I238-M241 PolarHBondContact O-N 3.18Å; R239-M241 PolarHBondContact O-N 3.49Å; M241-G245 CarbonylContact O-C 3.57Å; M241-G245 PolarHBondContact O-N 3.37Å; M241-M246 HydrophobicContact CB-CB 4.42Å; M241-M246 HydrophobicContact CE-CG 4.49Å; M241-M246 HydrophobicContact CG-CB 4.43Å; M241-M246 HydrophobicContact CG-CG 4.31Å; M241-M246 HydrophobicContact CG-SD 4.02Å; M241-M246 PolarHBondContact O-N 2.96Å; M241-T247 WeakPolarHBondContact CE-O 3.4Å; M241-G535 WeakPolarHBondContact CE-O 3.16Å; M241-C537 VanDerWaalsContact SD-SG 3.61Å; M241-R556 PolarHBondContact O-NH1 2.92Å; M241-R556 VanDerWaalsContact O-NH1 3.07Å |
| 242 | V | 96.6 | Very high | 96 | Very high | 1 Ų | 1 | 15.3 Ų | 15.3 | 1% | 0.006 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -68.1 | -49 | 174.8 | 168.9 | 0 | 0 | 0 | 0 | 110.7 | I238 R239 F240 V244 G245 L555 R556 R559 | I238-V242 HydrophobicContact CG2-CG2 4.35Å; I238-V242 WeakPolarHBondContact O-CB 3.14Å; I238-V242 VanDerWaalsContact O-CG2 3.26Å; I238-V242 WeakPolarHBondContact O-CG2 3.49Å; I238-V242 PolarHBondContact O-N 2.95Å; R239-V242 PolarHBondContact O-N 2.67Å; F240-V242 VanDerWaalsContact C-N 3.29Å; F240-V242 PolarHBondContact O-N 3.32Å; V242-V244 PolarHBondContact O-N 3.07Å; V242-G245 PolarHBondContact O-N 3.16Å; V242-G245 VanDerWaalsContact O-N 3.16Å; V242-L555 HydrophobicContact CG1-CB 3.97Å; V242-L555 HydrophobicContact CG2-CB 3.91Å; V242-L555 HydrophobicContact CG2-CD1 4.34Å; V242-R556 HydrophobicContact CB-CG 4.42Å; V242-R556 HydrophobicContact CG1-CG 4.08Å; V242-R556 HydrophobicContact CG2-CG 4.05Å; V242-R559 PolarHBondContact O-NH1 3.22Å |
| 243 | D | 96.2 | Very high | 96.2 | Very high | 23 Ų | 23 | 15.9 Ų | 15.9 | 12% | 0.123 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -69.1 | -32.2 | -171.9 | -75.9 | 15.5 | 0 | 0 | 0 | 112.5 | F131 Y134 R239 F240 R559 | F131-D243 HydrophobicContact CE2-CB 3.93Å; F131-D243 HydrophobicContact CZ-CB 4.02Å; Y134-D243 WeakPolarHBondContact CE1-OD2 3.43Å; Y134-D243 PolarHBondContact OH-OD1 2.77Å; Y134-D243 PolarHBondContact OH-OD2 3.08Å; R239-D243 VanDerWaalsContact CD-CG 3.46Å; R239-D243 VanDerWaalsContact CD-OD1 3.29Å; R239-D243 WeakPolarHBondContact CD-OD1 3.43Å; R239-D243 VanDerWaalsContact CD-OD2 3.26Å; R239-D243 WeakPolarHBondContact CD-OD2 3.4Å; R239-D243 IonicContact NH1-OD1 3.45Å; R239-D243 PolarHBondContact NH1-OD1 3.26Å; R239-D243 WeakPolarHBondContact O-CB 3.32Å; R239-D243 PolarHBondContact O-N 3.07Å; F240-D243 PolarHBondContact O-N 3.21Å; F240-D243 VanDerWaalsContact O-N 3.14Å; D243-R559 VanDerWaalsContact C-NH1 3.27Å; D243-R559 PolarHBondContact O-NH1 3.23Å; D243-R559 PolarHBondContact O-NH2 2.89Å |
| 244 | V | 96 | Very high | 96.5 | Very high | 26 Ų | 26 | 13.9 Ų | 13.9 | 16% | 0.158 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -4.7 | 175 | -51.7 | 0 | 0 | 0 | 0 | 113.3 | F240 V242 M246 W279 I284 | F240-V244 HydrophobicContact CD2-CG1 3.92Å; F240-V244 HydrophobicContact CE1-CG2 4.4Å; F240-V244 HydrophobicContact CE2-CG1 3.66Å; F240-V244 HydrophobicContact CE2-CG2 4.19Å; F240-V244 HydrophobicContact CZ-CG1 4.36Å; F240-V244 HydrophobicContact CZ-CG2 4.12Å; F240-V244 WeakPolarHBondContact O-CG2 3.37Å; F240-V244 PolarHBondContact O-N 3.29Å; V242-V244 PolarHBondContact O-N 3.07Å; V244-M246 VanDerWaalsContact C-N 3.33Å; V244-M246 HydrophobicContact CG2-CB 3.62Å; V244-M246 HydrophobicContact CG2-CE 4.02Å; V244-W279 HydrophobicContact CG1-CE3 3.71Å; V244-W279 HydrophobicContact CG1-CZ3 4.28Å; V244-I284 HydrophobicContact CB-CD1 3.79Å; V244-I284 HydrophobicContact CG2-CD1 3.5Å; V244-I284 VanDerWaalsContact CG2-CD1 3.5Å; V244-I284 WeakPolarHBondContact O-CD1 3.46Å |
| 245 | G | 95.2 | Very high | 96.6 | Very high | 39 Ų | 39 | 18.5 Ų | 18.5 | 40% | 0.402 | 10% | 0.097 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.3 | 16.4 | -178 | 0 | 0 | 0 | 0 | 0 | 114.4 | M241 V242 | M241-G245 CarbonylContact O-C 3.57Å; M241-G245 PolarHBondContact O-N 3.37Å; V242-G245 PolarHBondContact O-N 3.16Å; V242-G245 VanDerWaalsContact O-N 3.16Å |
| 246 | M | 97.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.102 | C | C | . | . | P | Polyproline II helix | trans | -79.2 | 122.1 | 179.2 | 178.8 | -176.7 | -58 | 0 | 0 | 111.8 | K89 I114 F240 M241 V244 L252 L282 I284 R556 | K89-M246 HydrophobicContact CD-CG 3.96Å; K89-M246 HydrophobicContact CD-SD 3.37Å; K89-M246 WeakPolarHBondContact CD-SD 3.27Å; K89-M246 VanDerWaalsContact CE-SD 3.57Å; I114-M246 HydrophobicContact CD1-CE 3.69Å; I114-M246 HydrophobicContact CD1-SD 4.22Å; F240-M246 HydrophobicContact CE1-CE 3.77Å; F240-M246 HydrophobicContact CE1-SD 4.08Å; F240-M246 HydrophobicContact CZ-CE 4.04Å; M241-M246 HydrophobicContact CB-CB 4.42Å; M241-M246 HydrophobicContact CE-CG 4.49Å; M241-M246 HydrophobicContact CG-CB 4.43Å; M241-M246 HydrophobicContact CG-CG 4.31Å; M241-M246 HydrophobicContact CG-SD 4.02Å; M241-M246 PolarHBondContact O-N 2.96Å; V244-M246 VanDerWaalsContact C-N 3.33Å; V244-M246 HydrophobicContact CG2-CB 3.62Å; V244-M246 HydrophobicContact CG2-CE 4.02Å; M246-L252 HydrophobicContact CE-CD1 3.96Å; M246-L252 HydrophobicContact CE-CD2 3.81Å; M246-L282 HydrophobicContact CE-CD1 4.24Å; M246-I284 HydrophobicContact CB-CD1 3.94Å; M246-I284 HydrophobicContact CB-CG1 4.42Å; M246-I284 HydrophobicContact CB-CG2 4.29Å; M246-I284 HydrophobicContact CE-CD1 4.18Å; M246-I284 HydrophobicContact CE-CG1 4.28Å; M246-R556 VanDerWaalsContact O-CZ 3.31Å; M246-R556 PolarHBondContact O-NH1 3.32Å; M246-R556 VanDerWaalsContact O-NH1 3.1Å; M246-R556 PolarHBondContact O-NH2 2.74Å |
| 247 | T | 95.2 | Very high | 96.6 | Very high | 30 Ų | 30 | 22.1 Ų | 22.1 | 18% | 0.184 | 14% | 0.14 | C | C | . | . | P | Polyproline II helix | trans | -88.2 | 173.6 | 172.5 | 56.4 | 0 | 0 | 0 | 0 | 111.6 | M241 C250 | M241-T247 WeakPolarHBondContact CE-O 3.4Å; T247-C250 PolarHBondContact O-SG 2.71Å; T247-C250 VanDerWaalsContact O-SG 3.38Å; T247-C250 WeakPolarHBondContact OG1-CB 3.37Å |
| 248 | G | 94.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | 143.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | C250 S531 R532 V536 | G248-C250 PolarHBondContact O-N 3.16Å; G248-S531 VanDerWaalsContact C-OG 3.28Å; G248-S531 VanDerWaalsContact CA-O 3.29Å; G248-S531 WeakPolarHBondContact CA-O 3.48Å; G248-S531 WeakPolarHBondContact CA-OG 3.46Å; G248-S531 PolarHBondContact N-O 2.89Å; G248-R532 WeakPolarHBondContact O-CA 3.36Å; G248-R532 WeakPolarHBondContact O-CG 3.43Å; G248-R532 PolarHBondContact O-N 3.07Å; G248-V536 WeakPolarHBondContact CA-O 3.39Å |
| 249 | C | 96.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50 | 30 | 176.6 | -57.7 | 0 | 0 | 0 | 0 | 116.6 | Q88 K89 I528 S531 R532 | Q88-C249 PolarHBondContact NE2-O 3Å; K89-C249 VanDerWaalsContact O-CA 3.24Å; K89-C249 WeakPolarHBondContact O-CA 3.45Å; C249-I528 HydrophobicContact CB-CG2 3.81Å; C249-S531 PolarHBondContact N-OG 2.69Å; C249-S531 PolarHBondContact SG-OG 3.24Å; C249-R532 HydrophobicContact CB-CG 4.12Å; C249-R532 PolarHBondContact O-NE 3.21Å; C249-R532 PolarHBondContact O-NH2 2.89Å |
| 250 | C | 97.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -81.9 | 166.1 | 173.8 | 67.9 | 0 | 0 | 0 | 0 | 111.8 | K89 T247 G248 | K89-C250 PolarHBondContact N-O 3.11Å; T247-C250 PolarHBondContact O-SG 2.71Å; T247-C250 VanDerWaalsContact O-SG 3.38Å; T247-C250 WeakPolarHBondContact OG1-CB 3.37Å; G248-C250 PolarHBondContact O-N 3.16Å | ||
| 251 | W | 98.5 | Very high | 96.4 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 0% | 0.004 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 137.5 | 172.7 | -70.9 | 88.5 | 0 | 0 | 0 | 110.5 | V86 F87 Q88 K119 H285 W291 D293 A295 | V86-W251 HydrophobicContact CG1-CE3 3.85Å; V86-W251 HydrophobicContact CG1-CZ3 4.35Å; F87-W251 WeakPolarHBondContact O-CA 3.49Å; Q88-W251 HydrophobicContact CB-CD2 3.88Å; Q88-W251 HydrophobicContact CB-CE3 4.04Å; Q88-W251 HydrophobicContact CB-CG 4.48Å; Q88-W251 HydrophobicContact CB-CH2 4.02Å; Q88-W251 HydrophobicContact CB-CZ2 3.91Å; Q88-W251 HydrophobicContact CB-CZ3 4.11Å; Q88-W251 HydrophobicContact CG-CD2 4.42Å; Q88-W251 VanDerWaalsContact N-CE3 3.32Å; K119-W251 HydrophobicContact CB-CH2 4.37Å; K119-W251 HydrophobicContact CD-CH2 4.32Å; K119-W251 HydrophobicContact CG-CH2 3.31Å; K119-W251 HydrophobicContact CG-CZ2 4.12Å; K119-W251 HydrophobicContact CG-CZ3 3.75Å; W251-H285 HydrophobicContact CB-CB 4.22Å; W251-H285 PolarHBondContact O-N 2.92Å; W251-W291 HydrophobicContact CB-CD2 4.16Å; W251-W291 HydrophobicContact CB-CE3 3.3Å; W251-W291 HydrophobicContact CB-CZ3 3.71Å; W251-W291 AromaticContact CD1-CE3 3.86Å; W251-W291 AromaticContact CD2-CE3 3.95Å; W251-W291 HydrophobicContact CD2-CE3 3.95Å; W251-W291 HydrophobicContact CD2-CZ3 4.17Å; W251-W291 HydrophobicContact CE3-CE3 4.5Å; W251-W291 HydrophobicContact CE3-CZ3 4.26Å; W251-W291 HydrophobicContact CG-CD2 4.44Å; W251-W291 AromaticContact CG-CE3 3.42Å; W251-W291 HydrophobicContact CG-CE3 3.42Å; W251-W291 VanDerWaalsContact CG-CE3 3.42Å; W251-W291 AromaticContact CG-CZ3 3.97Å; W251-W291 HydrophobicContact CG-CZ3 3.97Å; W251-W291 PolarHBondContact NE1-O 3.38Å; W251-D293 PolarHBondContact NE1-O 3.37Å; W251-A295 HydrophobicContact CH2-CB 3.87Å; W251-A295 HydrophobicContact CZ2-CB 4.17Å |
| 252 | L | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 144 | 175.2 | -58.1 | -177.8 | 0 | 0 | 0 | 109.1 | V86 F87 K89 I114 M246 V283 I284 | V86-L252 VanDerWaalsContact CA-O 3.29Å; V86-L252 WeakPolarHBondContact CA-O 3.47Å; F87-L252 HydrophobicContact CD1-CB 4.37Å; F87-L252 HydrophobicContact CE1-CB 3.94Å; F87-L252 HydrophobicContact CE2-CB 4.4Å; F87-L252 HydrophobicContact CE2-CD1 3.95Å; F87-L252 HydrophobicContact CZ-CB 3.97Å; F87-L252 HydrophobicContact CZ-CD1 3.76Å; F87-L252 HydrophobicContact CZ-CG 4.42Å; F87-L252 PolarHBondContact N-O 3.15Å; F87-L252 PolarHBondContact O-N 2.95Å; K89-L252 HydrophobicContact CB-CD1 4.19Å; K89-L252 HydrophobicContact CB-CG 4.39Å; I114-L252 HydrophobicContact CD1-CD1 3.91Å; I114-L252 HydrophobicContact CG2-CD1 3.84Å; M246-L252 HydrophobicContact CE-CD1 3.96Å; M246-L252 HydrophobicContact CE-CD2 3.81Å; L252-V283 CarbonylContact C-O 3.58Å; L252-V283 WeakPolarHBondContact CA-O 3.46Å; L252-I284 HydrophobicContact CD2-CB 4.25Å; L252-I284 HydrophobicContact CD2-CG1 3.63Å; L252-I284 HydrophobicContact CD2-CG2 4.37Å |
| 253 | E | 98.2 | Very high | 95.9 | Very high | 25 Ų | 25 | 37.2 Ų | 37.2 | 12% | 0.117 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 132.1 | 175.1 | 171.3 | 175.9 | 164.3 | 0 | 0 | 110 | K84 I85 V86 V283 H285 | K84-E253 HydrophobicContact CD-CG 4.33Å; K84-E253 WeakPolarHBondContact CD-OE1 3.41Å; K84-E253 IonicContact NZ-OE1 3.68Å; K84-E253 IonicContact NZ-OE2 3.4Å; I85-E253 CarbonylContact O-C 3.57Å; I85-E253 WeakPolarHBondContact O-CA 3.31Å; V86-E253 HydrophobicContact CG2-CB 4.07Å; V86-E253 HydrophobicContact CG2-CG 3.97Å; E253-V283 HydrophobicContact CB-CB 3.96Å; E253-V283 HydrophobicContact CB-CG1 4.2Å; E253-V283 HydrophobicContact CG-CB 4.41Å; E253-V283 PolarHBondContact N-O 3.48Å; E253-V283 WeakPolarHBondContact O-CB 3.35Å; E253-V283 PolarHBondContact O-N 3.25Å; E253-H285 IonicContact OE2-CE1 3.64Å; E253-H285 IonicContact OE2-NE2 2.88Å; E253-H285 PolarHBondContact OE2-NE2 3.4Å |
| 254 | L | 98.1 | Very high | 95.4 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 121.1 | 173.6 | -48.5 | -179.3 | 0 | 0 | 0 | 108.2 | K84 I85 F87 F259 V275 V277 L282 | K84-L254 CarbonylContact C-O 3.56Å; K84-L254 WeakPolarHBondContact CA-O 3.15Å; K84-L254 WeakPolarHBondContact CB-O 3.3Å; I85-L254 HydrophobicContact CB-CB 4.28Å; I85-L254 HydrophobicContact CB-CD1 4.32Å; I85-L254 HydrophobicContact CB-CG 4.47Å; I85-L254 PolarHBondContact N-O 3.1Å; I85-L254 PolarHBondContact O-N 3.36Å; F87-L254 HydrophobicContact CE1-CD1 4.15Å; F87-L254 HydrophobicContact CE1-CG 4.19Å; L254-F259 HydrophobicContact CB-CD1 3.51Å; L254-F259 HydrophobicContact CB-CE1 3.8Å; L254-F259 HydrophobicContact CB-CG 4.06Å; L254-F259 HydrophobicContact CD1-CG 4.38Å; L254-V275 HydrophobicContact CD1-CB 4.48Å; L254-V275 HydrophobicContact CD1-CG2 3.54Å; L254-V277 HydrophobicContact CD2-CG1 4.42Å; L254-V277 HydrophobicContact CD2-CG2 4.37Å; L254-L282 HydrophobicContact CD2-CD2 3.49Å; L254-L282 VanDerWaalsContact CD2-CD2 3.49Å |
| 255 | R | 97.2 | Very high | 95.1 | Very high | 121 Ų | 121 | 45.5 Ų | 45.5 | 46% | 0.457 | 27% | 0.265 | S | S | . | . | trans | -85.8 | 142.3 | -176.5 | -63.9 | 174.3 | 178.9 | 170.4 | 2 | 111.3 | G257 E258 F259 V283 | R255-G257 PolarHBondContact O-N 3.18Å; R255-E258 HydrophobicContact CB-CG 4.29Å; R255-E258 WeakPolarHBondContact O-CB 3.35Å; R255-E258 PolarHBondContact O-N 3.04Å; R255-E258 VanDerWaalsContact O-N 3.07Å; R255-F259 WeakPolarHBondContact O-CD1 2.94Å; R255-F259 VanDerWaalsContact O-CE1 3.23Å; R255-F259 WeakPolarHBondContact O-CE1 3.18Å; R255-V283 HydrophobicContact CG-CG2 4.33Å | ||
| 256 | P | 94.6 | Very high | 94.8 | Very high | 62 Ų | 62 | 48.9 Ų | 48.9 | 40% | 0.403 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | 135.5 | 177.1 | -25.2 | 33 | 0 | 0 | 0 | 112 | N82 E258 | N82-P256 VanDerWaalsContact O-CG 3.28Å; N82-P256 WeakPolarHBondContact O-CG 3.4Å; P256-E258 VanDerWaalsContact C-N 3.27Å; P256-E258 PolarHBondContact O-N 3.41Å |
| 257 | G | 94.4 | Very high | 94.7 | Very high | 80 Ų | 80 | 50.4 Ų | 50.4 | 83% | 0.825 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.6 | -9.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | R255 | R255-G257 PolarHBondContact O-N 3.18Š|
| 258 | E | 95.5 | Very high | 94.6 | Very high | 69 Ų | 69 | 52.2 Ų | 52.2 | 32% | 0.322 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -100.6 | -4.1 | 177.9 | -62.9 | -175.1 | 170.3 | 0 | 0 | 113.8 | R255 P256 N281 | R255-E258 HydrophobicContact CB-CG 4.29Å; R255-E258 WeakPolarHBondContact O-CB 3.35Å; R255-E258 PolarHBondContact O-N 3.04Å; R255-E258 VanDerWaalsContact O-N 3.07Å; P256-E258 VanDerWaalsContact C-N 3.27Å; P256-E258 PolarHBondContact O-N 3.41Å; E258-N281 HydrophobicContact CB-CB 3.97Å; E258-N281 PolarHBondContact O-ND2 3.02Å |
| 259 | F | 96.4 | Very high | 94.7 | Very high | 25 Ų | 25 | 52.2 Ų | 52.2 | 11% | 0.11 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 161.1 | 175.7 | 67.9 | -85.8 | 0 | 0 | 0 | 109.9 | I85 L254 R255 F261 V275 D276 V277 | I85-F259 HydrophobicContact CG1-CE2 3.99Å; I85-F259 HydrophobicContact CG1-CZ 3.73Å; L254-F259 HydrophobicContact CB-CD1 3.51Å; L254-F259 HydrophobicContact CB-CE1 3.8Å; L254-F259 HydrophobicContact CB-CG 4.06Å; L254-F259 HydrophobicContact CD1-CG 4.38Å; R255-F259 WeakPolarHBondContact O-CD1 2.94Å; R255-F259 VanDerWaalsContact O-CE1 3.23Å; R255-F259 WeakPolarHBondContact O-CE1 3.18Å; F259-F261 HydrophobicContact CD2-CE2 4.47Å; F259-F261 AromaticContact CE2-CD2 3.99Å; F259-F261 HydrophobicContact CE2-CD2 3.99Å; F259-F261 HydrophobicContact CE2-CE1 4.1Å; F259-F261 AromaticContact CE2-CE2 3.45Å; F259-F261 HydrophobicContact CE2-CE2 3.45Å; F259-F261 VanDerWaalsContact CE2-CE2 3.45Å; F259-F261 AromaticContact CE2-CZ 3.52Å; F259-F261 HydrophobicContact CE2-CZ 3.52Å; F259-F261 HydrophobicContact CZ-CE2 4.01Å; F259-F261 HydrophobicContact CZ-CZ 4.04Å; F259-V275 HydrophobicContact CD2-CB 3.99Å; F259-V275 HydrophobicContact CD2-CG1 3.7Å; F259-V275 HydrophobicContact CE2-CG1 3.94Å; F259-D276 VanDerWaalsContact CA-O 3.28Å; F259-D276 WeakPolarHBondContact CA-O 3.49Å; F259-D276 WeakPolarHBondContact CB-O 3.47Å; F259-V277 HydrophobicContact CB-CB 4.07Å; F259-V277 HydrophobicContact CB-CG2 4.17Å |
| 260 | S | 95.5 | Very high | 94.6 | Very high | 64 Ų | 64 | 53.1 Ų | 53.1 | 45% | 0.448 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 135.9 | 174.2 | 55.1 | 0 | 0 | 0 | 0 | 110.7 | V275 D276 | S260-V275 CarbonylContact O-C 3.53Å; S260-V275 VanDerWaalsContact O-CA 3.3Å; S260-V275 WeakPolarHBondContact O-CA 3.39Å; S260-D276 PolarHBondContact N-O 3.22Å; S260-D276 PolarHBondContact O-N 3.02Å |
| 261 | F | 95 | Very high | 94.6 | Very high | 86 Ų | 86 | 53.3 Ų | 53.3 | 38% | 0.377 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 143.1 | 168.5 | -69 | -84.4 | 0 | 0 | 0 | 110 | L80 I85 F259 I273 V275 | L80-F261 HydrophobicContact CB-CE1 4.02Å; L80-F261 HydrophobicContact CB-CE2 4.44Å; L80-F261 HydrophobicContact CB-CZ 3.58Å; L80-F261 HydrophobicContact CD1-CE1 3.89Å; L80-F261 HydrophobicContact CD1-CZ 4.25Å; I85-F261 HydrophobicContact CD1-CE1 4.42Å; I85-F261 HydrophobicContact CD1-CZ 4.14Å; I85-F261 HydrophobicContact CG1-CZ 4.26Å; F259-F261 HydrophobicContact CD2-CE2 4.47Å; F259-F261 AromaticContact CE2-CD2 3.99Å; F259-F261 HydrophobicContact CE2-CD2 3.99Å; F259-F261 HydrophobicContact CE2-CE1 4.1Å; F259-F261 AromaticContact CE2-CE2 3.45Å; F259-F261 HydrophobicContact CE2-CE2 3.45Å; F259-F261 VanDerWaalsContact CE2-CE2 3.45Å; F259-F261 AromaticContact CE2-CZ 3.52Å; F259-F261 HydrophobicContact CE2-CZ 3.52Å; F259-F261 HydrophobicContact CZ-CE2 4.01Å; F259-F261 HydrophobicContact CZ-CZ 4.04Å; F261-I273 HydrophobicContact CE1-CG2 4.14Å; F261-V275 HydrophobicContact CD1-CG1 3.64Å; F261-V275 HydrophobicContact CE1-CG1 3.87Å; F261-V275 HydrophobicContact CG-CG1 4.26Å |
| 262 | R | 93.8 | Very high | 94.4 | Very high | 24 Ų | 24 | 55.7 Ų | 55.7 | 9% | 0.091 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -85.1 | 136.3 | 163.9 | -68.1 | -166.7 | -177.4 | 178.1 | -0.4 | 109.8 | Y95 H127 Y129 Q266 H267 M268 E274 D276 | Y95-R262 PolarHBondContact OH-NH2 3.48Å; H127-R262 VanDerWaalsContact CD2-CZ 3.43Å; H127-R262 PolarHBondContact CD2-NH2 3.09Å; H127-R262 PolarHBondContact CE1-NH1 3.14Å; H127-R262 VanDerWaalsContact CG-NH2 3.34Å; H127-R262 PolarHBondContact NE2-NH1 3Å; Y129-R262 PolarHBondContact OH-NH2 3.15Å; R262-Q266 HydrophobicContact CB-CB 4.19Å; R262-H267 PolarHBondContact O-CD2 3.37Å; R262-H267 PolarHBondContact O-NE2 3.27Å; R262-M268 VanDerWaalsContact NH1-CG 3.32Å; R262-M268 PolarHBondContact NH1-SD 2.86Å; R262-E274 HydrophobicContact CB-CB 4.47Å; R262-E274 WeakPolarHBondContact CD-OE1 3.2Å; R262-E274 HydrophobicContact CG-CG 4.48Å; R262-E274 IonicContact CZ-OE1 3.16Å; R262-E274 PolarHBondContact N-O 2.92Å; R262-E274 IonicContact NE-OE1 3.34Å; R262-E274 IonicContact NH1-OE1 3.32Å; R262-E274 PolarHBondContact NH1-OE1 2.8Å; R262-D276 WeakPolarHBondContact CG-OD2 3.47Å; R262-D276 IonicContact CZ-OD1 3.5Å; R262-D276 VanDerWaalsContact CZ-OD1 3.31Å; R262-D276 IonicContact CZ-OD2 3.79Å; R262-D276 VanDerWaalsContact NE-CG 3.34Å; R262-D276 IonicContact NE-OD1 3.14Å; R262-D276 PolarHBondContact NE-OD1 2.8Å; R262-D276 VanDerWaalsContact NE-OD1 3.08Å; R262-D276 IonicContact NE-OD2 2.75Å; R262-D276 PolarHBondContact NE-OD2 2.93Å; R262-D276 IonicContact NH2-OD1 3.51Å; R262-D276 PolarHBondContact NH2-OD1 3.15Å; R262-D276 IonicContact NH2-OD2 2.69Å |
| 263 | D | 89.1 | Confident | 94.3 | Very high | 105 Ų | 105 | 55.9 Ų | 55.9 | 56% | 0.561 | 30% | 0.302 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 149.3 | 166.4 | -65.9 | -41.2 | 0 | 0 | 0 | 109.8 | S265 Q266 H267 | D263-S265 PolarHBondContact O-N 2.86Å; D263-Q266 HydrophobicContact CB-CG 4.37Å; D263-Q266 WeakPolarHBondContact O-CA 3.37Å; D263-Q266 WeakPolarHBondContact O-CB 3.46Å; D263-Q266 PolarHBondContact O-N 3.37Å; D263-H267 PolarHBondContact O-CD2 3.49Å; D263-H267 PolarHBondContact O-N 2.96Å |
| 264 | K | 86.3 | Confident | 94.3 | Very high | 114 Ų | 114 | 54.8 Ų | 54.8 | 50% | 0.496 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -49 | -38.5 | 179.2 | -77.5 | -174 | 168.5 | -174.3 | 0 | 113.1 | E61 Q266 H267 | E61-K264 IonicContact OE2-NZ 3.91Å; E61-K264 PolarHBondContact OE2-NZ 3Å; K264-Q266 PolarHBondContact O-N 3.34Å; K264-H267 WeakPolarHBondContact O-CB 3.48Å; K264-H267 PolarHBondContact O-N 3.48Å |
| 265 | S | 89.1 | Confident | 94.3 | Very high | 110 Ų | 110 | 54.7 Ų | 54.7 | 77% | 0.769 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -66.9 | -19.7 | 178.3 | 61.6 | 0 | 0 | 0 | 0 | 114.3 | D263 | D263-S265 PolarHBondContact O-N 2.86Š|
| 266 | Q | 90.4 | Very high | 94.3 | Very high | 110 Ų | 110 | 50.2 Ų | 50.2 | 51% | 0.514 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -98.5 | -5 | 178 | -61.2 | 176.6 | -16 | 0 | 0 | 112.7 | R262 D263 K264 M268 | R262-Q266 HydrophobicContact CB-CB 4.19Å; D263-Q266 HydrophobicContact CB-CG 4.37Å; D263-Q266 WeakPolarHBondContact O-CA 3.37Å; D263-Q266 WeakPolarHBondContact O-CB 3.46Å; D263-Q266 PolarHBondContact O-N 3.37Å; K264-Q266 PolarHBondContact O-N 3.34Å; Q266-M268 PolarHBondContact O-N 2.8Å |
| 267 | H | 93.7 | Very high | 94.4 | Very high | 31 Ų | 31 | 47.5 Ų | 47.5 | 14% | 0.144 | 26% | 0.264 | C | S | . | . | trans | -62.2 | 123 | 179.9 | -75.8 | -160.2 | 0 | 0 | 0 | 110.7 | R262 D263 K264 E274 | R262-H267 PolarHBondContact O-CD2 3.37Å; R262-H267 PolarHBondContact O-NE2 3.27Å; D263-H267 PolarHBondContact O-CD2 3.49Å; D263-H267 PolarHBondContact O-N 2.96Å; K264-H267 WeakPolarHBondContact O-CB 3.48Å; K264-H267 PolarHBondContact O-N 3.48Å; H267-E274 WeakPolarHBondContact CA-OE2 3.5Å; H267-E274 WeakPolarHBondContact CB-OE2 3.37Å; H267-E274 IonicContact CG-OE2 2.62Å | ||
| 268 | M | 94.3 | Very high | 94.5 | Very high | 68 Ų | 68 | 45.6 Ų | 45.6 | 34% | 0.335 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -88.6 | -16.4 | 169.3 | -66.1 | 178.8 | 66.8 | 0 | 0 | 111.5 | Y95 R262 Q266 E274 K420 | Y95-M268 HydrophobicContact CD2-CE 3.94Å; Y95-M268 HydrophobicContact CE2-CE 3.55Å; Y95-M268 HydrophobicContact CE2-SD 3.95Å; R262-M268 VanDerWaalsContact NH1-CG 3.32Å; R262-M268 PolarHBondContact NH1-SD 2.86Å; Q266-M268 PolarHBondContact O-N 2.8Å; M268-E274 PolarHBondContact N-OE1 2.68Å; M268-E274 PolarHBondContact N-OE2 2.99Å; M268-E274 VanDerWaalsContact N-OE2 3.16Å; M268-K420 PolarHBondContact O-N 3.26Å |
| 269 | S | 96 | Very high | 94.6 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.007 | 24% | 0.235 | C | C | . | . | B | Isolated β-bridge | trans | -115.1 | 170 | -177.8 | 82 | 0 | 0 | 0 | 0 | 112.7 | C125 C271 E274 R418 K420 | C125-S269 VanDerWaalsContact CB-OG 3.26Å; C125-S269 WeakPolarHBondContact CB-OG 3.4Å; S269-C271 PolarHBondContact OG-N 3.4Å; S269-E274 WeakPolarHBondContact CA-OE2 3.43Å; S269-E274 VanDerWaalsContact CB-OE2 3.26Å; S269-E274 WeakPolarHBondContact CB-OE2 3.48Å; S269-E274 PolarHBondContact N-OE2 3.2Å; S269-E274 PolarHBondContact OG-OE2 2.97Å; S269-R418 CarbonylContact C-O 3.56Å; S269-R418 VanDerWaalsContact C-O 3.26Å; S269-R418 WeakPolarHBondContact CA-O 3.13Å; S269-K420 WeakPolarHBondContact O-CE 3.42Å |
| 270 | R | 94.8 | Very high | 94.6 | Very high | 19 Ų | 19 | 52 Ų | 52 | 7% | 0.072 | 26% | 0.261 | C | S | . | . | trans | -97.5 | 7.8 | 173 | -61 | -170.8 | -176.7 | -67.8 | 7.8 | 112.6 | P63 E64 R418 K420 | P63-R270 HydrophobicContact CB-CB 4.06Å; P63-R270 PolarHBondContact O-NH1 3.25Å; E64-R270 VanDerWaalsContact CD-NH2 3.29Å; E64-R270 IonicContact OE1-CZ 3.9Å; E64-R270 IonicContact OE1-NE 2.84Å; E64-R270 IonicContact OE1-NH1 3.63Å; E64-R270 PolarHBondContact OE1-NH1 2.67Å; E64-R270 IonicContact OE1-NH2 3.73Å; E64-R270 PolarHBondContact OE1-NH2 2.97Å; E64-R270 IonicContact OE2-CZ 2.73Å; E64-R270 VanDerWaalsContact OE2-CZ 3.27Å; E64-R270 IonicContact OE2-NH1 2.74Å; E64-R270 PolarHBondContact OE2-NH1 2.81Å; E64-R270 IonicContact OE2-NH2 2.69Å; E64-R270 PolarHBondContact OE2-NH2 2.95Å; E64-R270 VanDerWaalsContact OE2-NH2 3.11Å; R270-R418 PolarHBondContact N-O 2.86Å; R270-K420 HydrophobicContact CG-CG 3.87Å | ||
| 271 | C | 96.8 | Very high | 94.7 | Very high | 4 Ų | 4 | 51.5 Ų | 51.5 | 3% | 0.027 | 25% | 0.253 | C | S | . | . | trans | -67.6 | 147.1 | 176 | -71.6 | 0 | 0 | 0 | 0 | 110.1 | S123 C125 S269 I273 | S123-C271 WeakPolarHBondContact OG-CA 3.44Å; C125-C271 HydrophobicContact CB-CB 3.8Å; S269-C271 PolarHBondContact OG-N 3.4Å; C271-I273 VanDerWaalsContact C-N 3.27Å; C271-I273 PolarHBondContact O-N 3Å | ||
| 272 | Q | 95.4 | Very high | 94.9 | Very high | 51 Ų | 51 | 48.3 Ų | 48.3 | 24% | 0.238 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -63.1 | -38.8 | 176 | -66.1 | 176.6 | -77.6 | 0 | 0 | 111 | P75 L77 H122 S123 | P75-Q272 PolarHBondContact O-NE2 3.37Å; L77-Q272 HydrophobicContact CD1-CB 3.86Å; L77-Q272 WeakPolarHBondContact CD1-O 3.27Å; L77-Q272 HydrophobicContact CD2-CB 4.03Å; L77-Q272 HydrophobicContact CG-CB 4.01Å; H122-Q272 VanDerWaalsContact CA-OE1 3.29Å; S123-Q272 PolarHBondContact O-N 3.44Å; S123-Q272 PolarHBondContact OG-N 3.17Å |
| 273 | I | 96.4 | Very high | 95.1 | Very high | 4 Ų | 4 | 48.5 Ų | 48.5 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 118 | 179.7 | -56.5 | 172 | 0 | 0 | 0 | 109 | L77 L80 T118 H122 S123 V124 C125 F261 C271 V275 | L77-I273 HydrophobicContact CD1-CG1 4.17Å; L77-I273 HydrophobicContact CD2-CD1 3.83Å; L77-I273 HydrophobicContact CD2-CG1 3.66Å; L80-I273 HydrophobicContact CD1-CD1 3.59Å; L80-I273 HydrophobicContact CD1-CG1 3.69Å; L80-I273 HydrophobicContact CD1-CG2 4.49Å; T118-I273 HydrophobicContact CG2-CD1 4.26Å; H122-I273 HydrophobicContact CB-CD1 4.02Å; S123-I273 PolarHBondContact O-N 3.03Å; V124-I273 CarbonylContact C-O 3.54Å; V124-I273 WeakPolarHBondContact CA-O 3.5Å; V124-I273 HydrophobicContact CG1-CB 4.42Å; V124-I273 HydrophobicContact CG1-CG2 4.28Å; V124-I273 HydrophobicContact CG2-CB 4.18Å; V124-I273 HydrophobicContact CG2-CD1 4.12Å; C125-I273 PolarHBondContact N-O 3.06Å; F261-I273 HydrophobicContact CE1-CG2 4.14Å; C271-I273 VanDerWaalsContact C-N 3.27Å; C271-I273 PolarHBondContact O-N 3Å; I273-V275 HydrophobicContact CG2-CG1 3.89Å |
| 274 | E | 97.4 | Very high | 95.5 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 119.3 | 172.9 | -165 | 169.8 | 149.8 | 0 | 0 | 110.4 | C125 H127 R262 H267 M268 S269 | C125-E274 HydrophobicContact CB-CG 4.24Å; C125-E274 WeakPolarHBondContact O-CA 3.49Å; H127-E274 IonicContact CD2-OE1 2.67Å; H127-E274 IonicContact CE1-OE1 3.92Å; H127-E274 VanDerWaalsContact NE2-CD 3.28Å; H127-E274 VanDerWaalsContact NE2-CG 3.32Å; H127-E274 WeakPolarHBondContact NE2-CG 3.43Å; H127-E274 IonicContact NE2-OE1 3.41Å; H127-E274 PolarHBondContact NE2-OE1 3.26Å; R262-E274 HydrophobicContact CB-CB 4.47Å; R262-E274 WeakPolarHBondContact CD-OE1 3.2Å; R262-E274 HydrophobicContact CG-CG 4.48Å; R262-E274 IonicContact CZ-OE1 3.16Å; R262-E274 PolarHBondContact N-O 2.92Å; R262-E274 IonicContact NE-OE1 3.34Å; R262-E274 IonicContact NH1-OE1 3.32Å; R262-E274 PolarHBondContact NH1-OE1 2.8Å; H267-E274 WeakPolarHBondContact CA-OE2 3.5Å; H267-E274 WeakPolarHBondContact CB-OE2 3.37Å; H267-E274 IonicContact CG-OE2 2.62Å; M268-E274 PolarHBondContact N-OE1 2.68Å; M268-E274 PolarHBondContact N-OE2 2.99Å; M268-E274 VanDerWaalsContact N-OE2 3.16Å; S269-E274 WeakPolarHBondContact CA-OE2 3.43Å; S269-E274 VanDerWaalsContact CB-OE2 3.26Å; S269-E274 WeakPolarHBondContact CB-OE2 3.48Å; S269-E274 PolarHBondContact N-OE2 3.2Å; S269-E274 PolarHBondContact OG-OE2 2.97Å |
| 275 | V | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 146.9 | -170.9 | -66.9 | 0 | 0 | 0 | 0 | 111.5 | C125 C126 H127 L254 F259 S260 F261 I273 | C125-V275 PolarHBondContact O-N 3.37Å; C125-V275 VanDerWaalsContact O-N 3.11Å; C126-V275 HydrophobicContact CB-CG2 4.04Å; H127-V275 PolarHBondContact N-O 2.83Å; L254-V275 HydrophobicContact CD1-CB 4.48Å; L254-V275 HydrophobicContact CD1-CG2 3.54Å; F259-V275 HydrophobicContact CD2-CB 3.99Å; F259-V275 HydrophobicContact CD2-CG1 3.7Å; F259-V275 HydrophobicContact CE2-CG1 3.94Å; S260-V275 CarbonylContact O-C 3.53Å; S260-V275 VanDerWaalsContact O-CA 3.3Å; S260-V275 WeakPolarHBondContact O-CA 3.39Å; F261-V275 HydrophobicContact CD1-CG1 3.64Å; F261-V275 HydrophobicContact CE1-CG1 3.87Å; F261-V275 HydrophobicContact CG-CG1 4.26Å; I273-V275 HydrophobicContact CG2-CG1 3.89Å |
| 276 | D | 97.1 | Very high | 96.2 | Very high | 27 Ų | 27 | 40 Ų | 40 | 14% | 0.144 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 134.1 | 171.8 | -62.6 | -75.9 | 0 | 0 | 0 | 110.1 | H127 Y129 F259 S260 R262 | H127-D276 WeakPolarHBondContact CB-OD1 3.47Å; H127-D276 IonicContact CG-OD1 3.76Å; Y129-D276 HydrophobicContact CD2-CB 4.41Å; Y129-D276 HydrophobicContact CE2-CB 3.7Å; Y129-D276 WeakPolarHBondContact CE2-OD1 3.36Å; Y129-D276 VanDerWaalsContact CZ-OD1 3.24Å; Y129-D276 PolarHBondContact OH-OD1 2.93Å; F259-D276 VanDerWaalsContact CA-O 3.28Å; F259-D276 WeakPolarHBondContact CA-O 3.49Å; F259-D276 WeakPolarHBondContact CB-O 3.47Å; S260-D276 PolarHBondContact N-O 3.22Å; S260-D276 PolarHBondContact O-N 3.02Å; R262-D276 WeakPolarHBondContact CG-OD2 3.47Å; R262-D276 IonicContact CZ-OD1 3.5Å; R262-D276 VanDerWaalsContact CZ-OD1 3.31Å; R262-D276 IonicContact CZ-OD2 3.79Å; R262-D276 VanDerWaalsContact NE-CG 3.34Å; R262-D276 IonicContact NE-OD1 3.14Å; R262-D276 PolarHBondContact NE-OD1 2.8Å; R262-D276 VanDerWaalsContact NE-OD1 3.08Å; R262-D276 IonicContact NE-OD2 2.75Å; R262-D276 PolarHBondContact NE-OD2 2.93Å; R262-D276 IonicContact NH2-OD1 3.51Å; R262-D276 PolarHBondContact NH2-OD1 3.15Å; R262-D276 IonicContact NH2-OD2 2.69Å |
| 277 | V | 97.5 | Very high | 96.4 | Very high | 5 Ų | 5 | 35 Ų | 35 | 3% | 0.03 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 146.4 | -179.7 | 69 | 0 | 0 | 0 | 0 | 110.7 | C126 H127 V128 Y129 L254 F259 N281 L282 | C126-V277 WeakPolarHBondContact SG-CG1 3.49Å; H127-V277 PolarHBondContact O-N 2.87Å; V128-V277 VanDerWaalsContact CA-O 3.31Å; V128-V277 WeakPolarHBondContact CA-O 3.44Å; V128-V277 HydrophobicContact CG2-CG1 3.97Å; Y129-V277 PolarHBondContact N-O 2.52Å; L254-V277 HydrophobicContact CD2-CG1 4.42Å; L254-V277 HydrophobicContact CD2-CG2 4.37Å; F259-V277 HydrophobicContact CB-CB 4.07Å; F259-V277 HydrophobicContact CB-CG2 4.17Å; V277-N281 HydrophobicContact CG2-CB 3.71Å; V277-L282 HydrophobicContact CG1-CD2 3.73Å; V277-L282 HydrophobicContact CG1-CG 4.39Å; V277-L282 HydrophobicContact CG2-CD2 4.47Å |
| 278 | T | 97.4 | Very high | 96.2 | Very high | 39 Ų | 39 | 38 Ų | 38 | 24% | 0.239 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 140 | 168 | -67.9 | 0 | 0 | 0 | 0 | 109.3 | D130 K280 N281 | D130-T278 HydrophobicContact CB-CG2 4.04Å; D130-T278 VanDerWaalsContact OD2-CG2 3.22Å; D130-T278 WeakPolarHBondContact OD2-CG2 3.09Å; D130-T278 PolarHBondContact OD2-OG1 3.4Å; T278-K280 HydrophobicContact CG2-CB 4.19Å; T278-K280 HydrophobicContact CG2-CG 4.25Å; T278-K280 PolarHBondContact O-N 3.38Å; T278-N281 WeakPolarHBondContact O-CB 3.4Å; T278-N281 PolarHBondContact O-N 3.18Å |
| 279 | W | 96.8 | Very high | 95.9 | Very high | 81 Ų | 81 | 37.7 Ų | 37.7 | 31% | 0.307 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -52.7 | -28.2 | -176.6 | 70.9 | -92.8 | 0 | 0 | 0 | 115 | V128 Y129 D130 F131 F240 V244 N281 L282 | V128-W279 HydrophobicContact CG1-CB 3.55Å; Y129-W279 VanDerWaalsContact O-CD1 3.28Å; Y129-W279 PolarHBondContact O-N 2.9Å; Y129-W279 VanDerWaalsContact O-N 3.11Å; D130-W279 PolarHBondContact O-NE1 2.85Å; F131-W279 HydrophobicContact CB-CB 4.41Å; F131-W279 HydrophobicContact CB-CG 4.2Å; F131-W279 HydrophobicContact CD2-CD2 4.36Å; F131-W279 HydrophobicContact CD2-CG 4.31Å; F240-W279 HydrophobicContact CE2-CB 3.97Å; V244-W279 HydrophobicContact CG1-CE3 3.71Å; V244-W279 HydrophobicContact CG1-CZ3 4.28Å; W279-N281 PolarHBondContact O-N 2.81Å; W279-L282 PolarHBondContact O-N 2.99Å |
| 280 | K | 97.1 | Very high | 95.7 | Very high | 149 Ų | 149 | 43.7 Ų | 43.7 | 65% | 0.648 | 23% | 0.232 | S | C | * | . | G | 310 helix | trans | -66.4 | -22.2 | 178.2 | -62.8 | -179.3 | -179.9 | 175 | 0 | 113.7 | T278 | T278-K280 HydrophobicContact CG2-CB 4.19Å; T278-K280 HydrophobicContact CG2-CG 4.25Å; T278-K280 PolarHBondContact O-N 3.38Å |
| 281 | N | 97.8 | Very high | 95.7 | Very high | 53 Ų | 53 | 44.6 Ų | 44.6 | 28% | 0.283 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -96 | 2.9 | -177 | -63.6 | -3.7 | 0 | 0 | 0 | 112.4 | E258 V277 T278 W279 V283 | E258-N281 HydrophobicContact CB-CB 3.97Å; E258-N281 PolarHBondContact O-ND2 3.02Å; V277-N281 HydrophobicContact CG2-CB 3.71Å; T278-N281 WeakPolarHBondContact O-CB 3.4Å; T278-N281 PolarHBondContact O-N 3.18Å; W279-N281 PolarHBondContact O-N 2.81Å; N281-V283 PolarHBondContact O-N 3.3Å |
| 282 | L | 97.7 | Very high | 95.4 | Very high | 18 Ų | 18 | 45.7 Ų | 45.7 | 9% | 0.094 | 25% | 0.245 | C | C | . | . | trans | -76.4 | 120.6 | 174.4 | -67.2 | 175.2 | 0 | 0 | 0 | 110.1 | I114 V128 F240 M246 L254 V277 W279 | I114-L282 HydrophobicContact CD1-CD1 4.28Å; V128-L282 HydrophobicContact CG1-CD1 3.89Å; V128-L282 HydrophobicContact CG2-CD1 4Å; V128-L282 HydrophobicContact CG2-CD2 4.46Å; F240-L282 HydrophobicContact CE2-CD1 4.46Å; F240-L282 HydrophobicContact CZ-CD1 3.77Å; M246-L282 HydrophobicContact CE-CD1 4.24Å; L254-L282 HydrophobicContact CD2-CD2 3.49Å; L254-L282 VanDerWaalsContact CD2-CD2 3.49Å; V277-L282 HydrophobicContact CG1-CD2 3.73Å; V277-L282 HydrophobicContact CG1-CG 4.39Å; V277-L282 HydrophobicContact CG2-CD2 4.47Å; W279-L282 PolarHBondContact O-N 2.99Å | ||
| 283 | V | 98.1 | Very high | 95.2 | Very high | 28 Ų | 28 | 45.3 Ų | 45.3 | 17% | 0.17 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 119.9 | 168 | 178.2 | 0 | 0 | 0 | 0 | 107.9 | L252 E253 R255 N281 | L252-V283 CarbonylContact C-O 3.58Å; L252-V283 WeakPolarHBondContact CA-O 3.46Å; E253-V283 HydrophobicContact CB-CB 3.96Å; E253-V283 HydrophobicContact CB-CG1 4.2Å; E253-V283 HydrophobicContact CG-CB 4.41Å; E253-V283 PolarHBondContact N-O 3.48Å; E253-V283 WeakPolarHBondContact O-CB 3.35Å; E253-V283 PolarHBondContact O-N 3.25Å; R255-V283 HydrophobicContact CG-CG2 4.33Å; N281-V283 PolarHBondContact O-N 3.3Å |
| 284 | I | 97.8 | Very high | 95.2 | Very high | 45 Ų | 45 | 46 Ų | 46 | 23% | 0.231 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 119.4 | -175 | -64.9 | 157 | 0 | 0 | 0 | 108.8 | V244 M246 L252 | V244-I284 HydrophobicContact CB-CD1 3.79Å; V244-I284 HydrophobicContact CG2-CD1 3.5Å; V244-I284 VanDerWaalsContact CG2-CD1 3.5Å; V244-I284 WeakPolarHBondContact O-CD1 3.46Å; M246-I284 HydrophobicContact CB-CD1 3.94Å; M246-I284 HydrophobicContact CB-CG1 4.42Å; M246-I284 HydrophobicContact CB-CG2 4.29Å; M246-I284 HydrophobicContact CE-CD1 4.18Å; M246-I284 HydrophobicContact CE-CG1 4.28Å; L252-I284 HydrophobicContact CD2-CB 4.25Å; L252-I284 HydrophobicContact CD2-CG1 3.63Å; L252-I284 HydrophobicContact CD2-CG2 4.37Å |
| 285 | H | 97.7 | Very high | 95.1 | Very high | 34 Ų | 34 | 46 Ų | 46 | 16% | 0.157 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 131.5 | 179.7 | -66.4 | -67 | 0 | 0 | 0 | 111.3 | W251 E253 W291 | W251-H285 HydrophobicContact CB-CB 4.22Å; W251-H285 PolarHBondContact O-N 2.92Å; E253-H285 IonicContact OE2-CE1 3.64Å; E253-H285 IonicContact OE2-NE2 2.88Å; E253-H285 PolarHBondContact OE2-NE2 3.4Å; H285-W291 HydrophobicContact CB-CB 4.26Å; H285-W291 HydrophobicContact CB-CD2 3.66Å; H285-W291 HydrophobicContact CB-CE3 4.23Å; H285-W291 HydrophobicContact CB-CG 3.67Å; H285-W291 AromaticContact CD2-CE2 3.66Å; H285-W291 AromaticContact CD2-CH2 3.54Å; H285-W291 AromaticContact CD2-CZ2 3.42Å; H285-W291 VanDerWaalsContact CD2-CZ2 3.42Å; H285-W291 WeakPolarHBondContact CD2-CZ2 3.43Å; H285-W291 AromaticContact CD2-CZ3 3.92Å; H285-W291 AromaticContact CE1-CE2 3.8Å; H285-W291 AromaticContact CE1-CZ2 3.49Å; H285-W291 VanDerWaalsContact CE1-CZ2 3.49Å; H285-W291 WeakPolarHBondContact CE1-CZ2 3.47Å; H285-W291 AromaticContact CG-CD2 3.73Å; H285-W291 AromaticContact CG-CE2 3.42Å; H285-W291 VanDerWaalsContact CG-CE2 3.42Å; H285-W291 AromaticContact CG-CZ2 3.67Å; H285-W291 AromaticContact CG-NE1 3.73Å; H285-W291 AromaticContact ND1-CE2 3.56Å; H285-W291 AromaticContact ND1-CZ2 3.75Å; H285-W291 AromaticContact ND1-NE1 3.52Å; H285-W291 AromaticContact NE2-CE2 3.88Å; H285-W291 AromaticContact NE2-CH2 3.59Å; H285-W291 AromaticContact NE2-CZ2 3.29Å; H285-W291 VanDerWaalsContact NE2-CZ2 3.29Å; H285-W291 WeakPolarHBondContact NE2-CZ2 3.48Å |
| 286 | S | 93.5 | Very high | 95 | Very high | 72 Ų | 72 | 47.4 Ų | 47.4 | 50% | 0.503 | 26% | 0.258 | S | S | . | . | trans | -64.5 | 136.6 | 170.6 | -175 | 0 | 0 | 0 | 0 | 109.5 | E288 W291 | S286-E288 PolarHBondContact O-N 2.87Å; S286-W291 VanDerWaalsContact O-CB 3.3Å; S286-W291 WeakPolarHBondContact O-CB 3.31Å | ||
| 287 | P | 92.7 | Very high | 95 | Very high | 6 Ų | 6 | 46.2 Ų | 46.2 | 4% | 0.039 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -75.7 | 68.4 | -178.2 | 32.4 | -36.2 | 0 | 0 | 0 | 111.4 | W291 R532 R683 | P287-W291 WeakPolarHBondContact CA-O 3.45Å; P287-R532 HydrophobicContact CB-CB 4.47Å; P287-R532 HydrophobicContact CB-CG 3.94Å; P287-R532 HydrophobicContact CG-CB 3.93Å; P287-R532 HydrophobicContact CG-CG 3.87Å; P287-R683 PolarHBondContact O-NH1 3.11Å; P287-R683 PolarHBondContact O-NH2 2.79Å |
| 288 | E | 89.6 | Confident | 95 | Very high | 92 Ų | 92 | 46.5 Ų | 46.5 | 43% | 0.43 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -139 | 157.9 | 178 | -66 | -167.9 | -154.7 | 0 | 0 | 110.1 | S286 E290 W291 K663 | S286-E288 PolarHBondContact O-N 2.87Å; E288-E290 PolarHBondContact O-N 3.07Å; E288-W291 WeakPolarHBondContact O-CB 3.23Å; E288-W291 PolarHBondContact O-N 3.21Å; E288-W291 VanDerWaalsContact O-N 3.11Å; E288-K663 IonicContact OE2-NZ 3.85Å; E288-K663 PolarHBondContact OE2-NZ 3.43Å |
| 289 | G | 89.1 | Confident | 95.1 | Very high | 63 Ų | 63 | 45 Ų | 45 | 65% | 0.649 | 24% | 0.243 | S | C | * | . | G | 310 helix | trans | 60.1 | -131.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | W291 A292 | G289-W291 PolarHBondContact O-N 3.28Å; G289-A292 VanDerWaalsContact O-CB 3.25Å; G289-A292 WeakPolarHBondContact O-CB 3.21Å; G289-A292 PolarHBondContact O-N 3.16Å; G289-A292 VanDerWaalsContact O-N 3.11Å |
| 290 | E | 91 | Very high | 95.1 | Very high | 127 Ų | 127 | 41.2 Ų | 41.2 | 59% | 0.593 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | -62.7 | -21.4 | 177.1 | 68.6 | -177.5 | 152.2 | 0 | 0 | 114 | E288 A292 | E288-E290 PolarHBondContact O-N 3.07Å; E290-A292 VanDerWaalsContact C-N 3.31Å |
| 291 | W | 94.5 | Very high | 95.2 | Very high | 37 Ų | 37 | 34.1 Ų | 34.1 | 14% | 0.14 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -88.6 | 0.5 | 178.9 | -54.5 | 109.8 | 0 | 0 | 0 | 112.8 | V86 W251 H285 S286 P287 E288 G289 | V86-W291 HydrophobicContact CG1-CH2 3.72Å; V86-W291 HydrophobicContact CG1-CZ3 3.47Å; V86-W291 VanDerWaalsContact CG1-CZ3 3.47Å; W251-W291 HydrophobicContact CB-CD2 4.16Å; W251-W291 HydrophobicContact CB-CE3 3.3Å; W251-W291 HydrophobicContact CB-CZ3 3.71Å; W251-W291 AromaticContact CD1-CE3 3.86Å; W251-W291 AromaticContact CD2-CE3 3.95Å; W251-W291 HydrophobicContact CD2-CE3 3.95Å; W251-W291 HydrophobicContact CD2-CZ3 4.17Å; W251-W291 HydrophobicContact CE3-CE3 4.5Å; W251-W291 HydrophobicContact CE3-CZ3 4.26Å; W251-W291 HydrophobicContact CG-CD2 4.44Å; W251-W291 AromaticContact CG-CE3 3.42Å; W251-W291 HydrophobicContact CG-CE3 3.42Å; W251-W291 VanDerWaalsContact CG-CE3 3.42Å; W251-W291 AromaticContact CG-CZ3 3.97Å; W251-W291 HydrophobicContact CG-CZ3 3.97Å; W251-W291 PolarHBondContact NE1-O 3.38Å; H285-W291 HydrophobicContact CB-CB 4.26Å; H285-W291 HydrophobicContact CB-CD2 3.66Å; H285-W291 HydrophobicContact CB-CE3 4.23Å; H285-W291 HydrophobicContact CB-CG 3.67Å; H285-W291 AromaticContact CD2-CE2 3.66Å; H285-W291 AromaticContact CD2-CH2 3.54Å; H285-W291 AromaticContact CD2-CZ2 3.42Å; H285-W291 VanDerWaalsContact CD2-CZ2 3.42Å; H285-W291 WeakPolarHBondContact CD2-CZ2 3.43Å; H285-W291 AromaticContact CD2-CZ3 3.92Å; H285-W291 AromaticContact CE1-CE2 3.8Å; H285-W291 AromaticContact CE1-CZ2 3.49Å; H285-W291 VanDerWaalsContact CE1-CZ2 3.49Å; H285-W291 WeakPolarHBondContact CE1-CZ2 3.47Å; H285-W291 AromaticContact CG-CD2 3.73Å; H285-W291 AromaticContact CG-CE2 3.42Å; H285-W291 VanDerWaalsContact CG-CE2 3.42Å; H285-W291 AromaticContact CG-CZ2 3.67Å; H285-W291 AromaticContact CG-NE1 3.73Å; H285-W291 AromaticContact ND1-CE2 3.56Å; H285-W291 AromaticContact ND1-CZ2 3.75Å; H285-W291 AromaticContact ND1-NE1 3.52Å; H285-W291 AromaticContact NE2-CE2 3.88Å; H285-W291 AromaticContact NE2-CH2 3.59Å; H285-W291 AromaticContact NE2-CZ2 3.29Å; H285-W291 VanDerWaalsContact NE2-CZ2 3.29Å; H285-W291 WeakPolarHBondContact NE2-CZ2 3.48Å; S286-W291 VanDerWaalsContact O-CB 3.3Å; S286-W291 WeakPolarHBondContact O-CB 3.31Å; P287-W291 WeakPolarHBondContact CA-O 3.45Å; E288-W291 WeakPolarHBondContact O-CB 3.23Å; E288-W291 PolarHBondContact O-N 3.21Å; E288-W291 VanDerWaalsContact O-N 3.11Å; G289-W291 PolarHBondContact O-N 3.28Å |
| 292 | A | 91.4 | Very high | 95.3 | Very high | 28 Ų | 28 | 31.6 Ų | 31.6 | 23% | 0.231 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -72.8 | -20.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | G289 E290 R532 | G289-A292 VanDerWaalsContact O-CB 3.25Å; G289-A292 WeakPolarHBondContact O-CB 3.21Å; G289-A292 PolarHBondContact O-N 3.16Å; G289-A292 VanDerWaalsContact O-N 3.11Å; E290-A292 VanDerWaalsContact C-N 3.31Å; A292-R532 PolarHBondContact O-NH1 3.23Å |
| 293 | D | 92.1 | Very high | 95.3 | Very high | 43 Ų | 43 | 31.4 Ų | 31.4 | 23% | 0.23 | 18% | 0.183 | C | C | . | . | trans | -56 | 153.3 | 177.2 | -65.6 | -14.1 | 0 | 0 | 0 | 111.5 | K119 W251 R532 R676 | K119-D293 IonicContact NZ-OD2 3.19Å; K119-D293 PolarHBondContact NZ-OD2 3.11Å; W251-D293 PolarHBondContact NE1-O 3.37Å; D293-R532 PolarHBondContact O-NH2 3.43Å; D293-R676 IonicContact OD1-NE 2.85Å; D293-R676 IonicContact OD1-NH2 3.87Å; D293-R676 PolarHBondContact OD1-NH2 3.04Å | ||
| 294 | I | 95 | Very high | 95.3 | Very high | 18 Ų | 18 | 30.3 Ų | 30.3 | 9% | 0.092 | 18% | 0.176 | C | C | . | . | trans | -112.1 | 133.1 | 177.4 | -61.7 | 178.2 | 0 | 0 | 0 | 107.7 | F297 Q331 I525 I528 F675 V679 | I294-F297 HydrophobicContact CG2-CD2 4.04Å; I294-F297 HydrophobicContact CG2-CE2 3.83Å; I294-Q331 HydrophobicContact CG2-CG 4.05Å; I294-I525 HydrophobicContact CD1-CG1 4.29Å; I294-I525 HydrophobicContact CD1-CG2 4.5Å; I294-I528 HydrophobicContact CD1-CD1 4.23Å; I294-I528 HydrophobicContact CD1-CG2 4.07Å; I294-I528 HydrophobicContact CG1-CG2 4.33Å; I294-I528 HydrophobicContact CG2-CD1 3.87Å; I294-F675 HydrophobicContact CB-CZ 4.24Å; I294-F675 HydrophobicContact CD1-CZ 4.47Å; I294-V679 HydrophobicContact CD1-CG2 3.74Å; I294-V679 HydrophobicContact CG1-CG2 4.37Å | ||
| 295 | A | 95.8 | Very high | 95.2 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | trans | -65.2 | 151.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q88 V117 W251 F297 | Q88-A295 HydrophobicContact CB-CB 3.8Å; V117-A295 HydrophobicContact CB-CB 4.17Å; V117-A295 HydrophobicContact CG1-CB 4.42Å; W251-A295 HydrophobicContact CH2-CB 3.87Å; W251-A295 HydrophobicContact CZ2-CB 4.17Å; A295-F297 HydrophobicContact CB-CD1 4.45Å; A295-F297 HydrophobicContact CB-CE1 4.01Å; A295-F297 HydrophobicContact CB-CE2 4.46Å; A295-F297 HydrophobicContact CB-CZ 4.03Å; A295-F297 WeakPolarHBondContact O-CD2 3.35Å; A295-F297 PolarHBondContact O-N 3.16Å | ||
| 296 | P | 95.7 | Very high | 95.1 | Very high | 30 Ų | 30 | 27.5 Ų | 27.5 | 20% | 0.195 | 16% | 0.162 | C | C | . | . | trans | -74.6 | 73.4 | 178.8 | 32.5 | -36.8 | 0 | 0 | 0 | 110.6 | K119 S121 L330 | K119-P296 WeakPolarHBondContact O-CG 3.37Å; S121-P296 PolarHBondContact OG-O 3.48Å; P296-L330 HydrophobicContact CB-CD2 4.38Å | ||
| 297 | F | 97.3 | Very high | 95 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 0% | 0.004 | 14% | 0.144 | C | C | . | . | trans | -63.1 | 133.4 | 177.6 | -63.2 | -55.9 | 0 | 0 | 0 | 110.4 | Q88 M90 V117 I294 A295 Q331 D378 L379 I528 | Q88-F297 HydrophobicContact CB-CZ 4.17Å; Q88-F297 HydrophobicContact CG-CZ 4.07Å; M90-F297 HydrophobicContact CG-CD1 4.11Å; M90-F297 HydrophobicContact CG-CE1 3.52Å; M90-F297 HydrophobicContact CG-CE2 4.3Å; M90-F297 HydrophobicContact CG-CZ 3.62Å; M90-F297 HydrophobicContact SD-CD1 3.4Å; M90-F297 WeakPolarHBondContact SD-CD1 3.31Å; M90-F297 HydrophobicContact SD-CD2 4.4Å; M90-F297 HydrophobicContact SD-CE1 3.47Å; M90-F297 WeakPolarHBondContact SD-CE1 3.49Å; M90-F297 HydrophobicContact SD-CE2 4.43Å; M90-F297 HydrophobicContact SD-CG 3.92Å; M90-F297 HydrophobicContact SD-CZ 4Å; V117-F297 HydrophobicContact CB-CD1 3.96Å; V117-F297 HydrophobicContact CB-CE1 3.87Å; V117-F297 HydrophobicContact CG2-CD1 3.63Å; V117-F297 HydrophobicContact CG2-CE1 3.8Å; I294-F297 HydrophobicContact CG2-CD2 4.04Å; I294-F297 HydrophobicContact CG2-CE2 3.83Å; A295-F297 HydrophobicContact CB-CD1 4.45Å; A295-F297 HydrophobicContact CB-CE1 4.01Å; A295-F297 HydrophobicContact CB-CE2 4.46Å; A295-F297 HydrophobicContact CB-CZ 4.03Å; A295-F297 WeakPolarHBondContact O-CD2 3.35Å; A295-F297 PolarHBondContact O-N 3.16Å; F297-Q331 HydrophobicContact CB-CB 4.12Å; F297-Q331 PolarHBondContact O-N 3.45Å; F297-D378 WeakPolarHBondContact CA-OD2 3.23Å; F297-D378 HydrophobicContact CB-CB 4.08Å; F297-D378 HydrophobicContact CD1-CB 4.12Å; F297-D378 HydrophobicContact CG-CB 4.49Å; F297-L379 HydrophobicContact CB-CD1 4.37Å; F297-I528 HydrophobicContact CD2-CD1 4.22Å; F297-I528 HydrophobicContact CE2-CD1 3.95Å | ||
| 298 | R | 97.5 | Very high | 94.7 | Very high | 11 Ų | 11 | 24.8 Ų | 24.8 | 4% | 0.042 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 119.5 | 171.8 | -75 | -177.2 | 172 | -159.3 | -10.6 | 109.7 | W72 A73 V328 L330 V375 D378 L379 | W72-R298 PolarHBondContact O-NH1 3.22Å; A73-R298 PolarHBondContact O-NH1 2.83Å; A73-R298 PolarHBondContact O-NH2 3.05Å; R298-V328 HydrophobicContact CB-CG1 4.36Å; R298-L330 HydrophobicContact CG-CD2 3.54Å; R298-V375 VanDerWaalsContact CD-O 3.29Å; R298-V375 WeakPolarHBondContact CD-O 3.2Å; R298-V375 PolarHBondContact NH1-O 3.07Å; R298-D378 PolarHBondContact N-OD2 2.9Å; R298-D378 PolarHBondContact O-N 3.34Å; R298-L379 PolarHBondContact O-N 3.4Å; R298-L379 VanDerWaalsContact O-N 3.08Å |
| 299 | I | 98.2 | Very high | 94.6 | Very high | 9 Ų | 9 | 24.6 Ų | 24.6 | 5% | 0.046 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 108.3 | 178.8 | -50.4 | -178.2 | 0 | 0 | 0 | 107.7 | V328 Q329 Q331 L379 T381 L515 V524 | I299-V328 WeakPolarHBondContact O-CA 3.14Å; I299-Q329 PolarHBondContact N-O 2.87Å; I299-Q329 PolarHBondContact O-N 3.33Å; I299-Q331 HydrophobicContact CD1-CB 4.34Å; I299-L379 HydrophobicContact CB-CB 4.4Å; I299-L379 HydrophobicContact CD1-CD1 4.09Å; I299-L379 HydrophobicContact CG1-CB 4.19Å; I299-L379 HydrophobicContact CG1-CD1 3.84Å; I299-L379 HydrophobicContact CG2-CB 4.14Å; I299-T381 HydrophobicContact CG2-CG2 3.54Å; I299-L515 HydrophobicContact CB-CD2 4.36Å; I299-L515 HydrophobicContact CG2-CD2 3.79Å; I299-V524 HydrophobicContact CD1-CG2 4.23Å |
| 300 | L | 98.6 | Very high | 94 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 113 | 172.2 | 167.6 | 61 | 0 | 0 | 0 | 108.9 | F302 N326 V328 F371 V372 P377 L379 L380 T381 | L300-F302 HydrophobicContact CD1-CB 4.39Å; L300-F302 HydrophobicContact CG-CD1 4.48Å; L300-N326 HydrophobicContact CD1-CB 3.72Å; L300-V328 HydrophobicContact CB-CG2 4.47Å; L300-V328 HydrophobicContact CD1-CG2 3.81Å; L300-F371 HydrophobicContact CD1-CE1 4.13Å; L300-F371 HydrophobicContact CD2-CE1 4.48Å; L300-V372 HydrophobicContact CD2-CG2 3.96Å; L300-P377 HydrophobicContact CB-CB 3.54Å; L300-P377 HydrophobicContact CB-CG 3.9Å; L300-P377 HydrophobicContact CD2-CG 3.94Å; L300-L379 PolarHBondContact N-O 3.39Å; L300-L380 HydrophobicContact CB-CD2 4.18Å; L300-L380 HydrophobicContact CD2-CD2 3.88Å; L300-L380 HydrophobicContact CG-CD2 4.33Å; L300-T381 PolarHBondContact O-N 3.16Å |
| 301 | S | 98.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 128.8 | 166.8 | -166.5 | 0 | 0 | 0 | 0 | 109.7 | N326 M327 T381 A511 | S301-N326 WeakPolarHBondContact O-CA 3.43Å; S301-M327 PolarHBondContact N-O 2.88Å; S301-M327 PolarHBondContact O-N 3.47Å; S301-T381 WeakPolarHBondContact CA-O 3.36Å; S301-A511 WeakPolarHBondContact CB-O 3.45Å; S301-A511 PolarHBondContact OG-O 2.9Å |
| 302 | F | 98.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 159.6 | -179.4 | 78.1 | -79.8 | 0 | 0 | 0 | 112 | L300 I304 I324 A325 N326 W368 T381 I385 D389 L390 L393 | L300-F302 HydrophobicContact CD1-CB 4.39Å; L300-F302 HydrophobicContact CG-CD1 4.48Å; F302-I304 HydrophobicContact CD2-CG2 4.29Å; F302-I304 HydrophobicContact CE2-CG2 4.31Å; F302-I324 HydrophobicContact CD2-CG2 4.36Å; F302-A325 WeakPolarHBondContact CA-O 3.21Å; F302-A325 WeakPolarHBondContact CB-O 3.36Å; F302-N326 WeakPolarHBondContact CB-OD1 3.45Å; F302-W368 HydrophobicContact CD1-CZ2 4.39Å; F302-W368 HydrophobicContact CD2-CH2 4.47Å; F302-W368 AromaticContact CD2-CZ2 3.74Å; F302-W368 HydrophobicContact CD2-CZ2 3.74Å; F302-W368 HydrophobicContact CE1-CZ2 4.46Å; F302-W368 HydrophobicContact CE2-CH2 4.09Å; F302-W368 AromaticContact CE2-CZ2 3.81Å; F302-W368 HydrophobicContact CE2-CZ2 3.81Å; F302-W368 HydrophobicContact CG-CZ2 4.04Å; F302-W368 HydrophobicContact CZ-CH2 4.24Å; F302-W368 HydrophobicContact CZ-CZ2 4.18Å; F302-T381 WeakPolarHBondContact CD1-O 3.31Å; F302-T381 PolarHBondContact N-O 3.47Å; F302-T381 VanDerWaalsContact N-O 3.15Å; F302-I385 HydrophobicContact CD1-CG2 4.32Å; F302-I385 HydrophobicContact CE1-CB 4.11Å; F302-I385 HydrophobicContact CE1-CD1 3.85Å; F302-I385 HydrophobicContact CE1-CG2 3.85Å; F302-I385 HydrophobicContact CE2-CG2 4.28Å; F302-I385 HydrophobicContact CZ-CB 3.97Å; F302-I385 HydrophobicContact CZ-CD1 4.46Å; F302-I385 HydrophobicContact CZ-CG2 3.83Å; F302-D389 HydrophobicContact CE2-CB 3.75Å; F302-D389 HydrophobicContact CZ-CB 4.17Å; F302-L390 HydrophobicContact CE1-CD2 4.27Å; F302-L390 HydrophobicContact CE1-CG 4.47Å; F302-L390 HydrophobicContact CZ-CD2 3.66Å; F302-L390 HydrophobicContact CZ-CG 3.83Å; F302-L393 HydrophobicContact CE2-CD1 3.94Å |
| 303 | D | 98.3 | Very high | 91.9 | Very high | 15 Ų | 15 | 28.2 Ų | 28.2 | 8% | 0.08 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 152.1 | 178.8 | -176.8 | 78.9 | 0 | 0 | 0 | 109.1 | I324 A325 C507 D510 A511 | D303-I324 WeakPolarHBondContact O-CA 3.41Å; D303-A325 PolarHBondContact N-O 3Å; D303-A325 PolarHBondContact O-N 3.48Å; D303-C507 PolarHBondContact O-SG 3.33Å; D303-C507 PolarHBondContact OD2-SG 2.96Å; D303-D510 HydrophobicContact CB-CB 4.15Å; D303-A511 HydrophobicContact CB-CB 4.18Å |
| 304 | I | 97.8 | Very high | 91.8 | Very high | 4 Ų | 4 | 26.8 Ų | 26.8 | 2% | 0.021 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 144.4 | -179.8 | 77.6 | 178.6 | 0 | 0 | 0 | 112.3 | F302 Q323 I324 F388 D389 Y392 L393 | F302-I304 HydrophobicContact CD2-CG2 4.29Å; F302-I304 HydrophobicContact CE2-CG2 4.31Å; I304-Q323 WeakPolarHBondContact CA-O 3.3Å; I304-I324 HydrophobicContact CG2-CG1 4.05Å; I304-I324 HydrophobicContact CG2-CG2 4.11Å; I304-F388 HydrophobicContact CD1-CE1 4.34Å; I304-F388 HydrophobicContact CG1-CE1 4.18Å; I304-D389 HydrophobicContact CD1-CB 4.2Å; I304-D389 HydrophobicContact CG1-CB 4.29Å; I304-D389 WeakPolarHBondContact CG1-OD1 3.42Å; I304-D389 HydrophobicContact CG2-CB 4.25Å; I304-D389 PolarHBondContact N-OD1 2.89Å; I304-Y392 HydrophobicContact CD1-CD1 3.96Å; I304-Y392 HydrophobicContact CD1-CG 4.09Å; I304-L393 HydrophobicContact CD1-CD2 4.39Å; I304-L393 HydrophobicContact CD1-CG 4.15Å; I304-L393 HydrophobicContact CG2-CD1 3.94Å; I304-L393 HydrophobicContact CG2-CD2 4.15Å; I304-L393 HydrophobicContact CG2-CG 4.15Å |
| 305 | E | 96.1 | Very high | 91.6 | Very high | 17 Ų | 17 | 29.6 Ų | 29.6 | 8% | 0.079 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 140.3 | 167.8 | -65.5 | -58.8 | 156.8 | 0 | 0 | 111.5 | I322 Q323 I489 L503 Y506 C507 | E305-I322 HydrophobicContact CB-CD1 4.4Å; E305-I322 HydrophobicContact CB-CG1 4.1Å; E305-I322 WeakPolarHBondContact O-CG1 3.24Å; E305-I322 PolarHBondContact O-N 2.81Å; E305-Q323 HydrophobicContact CB-CB 4.15Å; E305-Q323 PolarHBondContact N-O 2.84Å; E305-Q323 PolarHBondContact O-N 3.47Å; E305-I489 WeakPolarHBondContact OE2-CD1 3.44Å; E305-L503 HydrophobicContact CB-CD2 4.38Å; E305-L503 HydrophobicContact CG-CD1 4.18Å; E305-L503 HydrophobicContact CG-CG 4.32Å; E305-Y506 WeakPolarHBondContact OE1-CE1 3.49Å; E305-C507 HydrophobicContact CG-CB 3.84Å |
| 306 | C | 95.2 | Very high | 91.4 | Very high | 4 Ų | 4 | 30.1 Ų | 30.1 | 3% | 0.027 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 134.6 | -177.1 | -59.9 | 0 | 0 | 0 | 0 | 111 | G308 P314 P320 Y392 I489 | C306-G308 PolarHBondContact O-N 3.44Å; C306-G308 VanDerWaalsContact O-N 3.13Å; C306-P314 HydrophobicContact CB-CB 3.72Å; C306-P314 HydrophobicContact CB-CG 3.83Å; C306-P320 CarbonylContact C-O 3.59Å; C306-P320 VanDerWaalsContact CA-O 3.24Å; C306-P320 WeakPolarHBondContact CA-O 3.42Å; C306-Y392 HydrophobicContact CB-CE1 4.35Å; C306-Y392 WeakPolarHBondContact SG-CE1 3.43Å; C306-I489 WeakPolarHBondContact O-CG2 3.42Å |
| 307 | A | 92.6 | Very high | 91.2 | Very high | 14 Ų | 14 | 32.7 Ų | 32.7 | 12% | 0.116 | 17% | 0.166 | C | C | . | . | trans | -82.7 | 91.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111 | P320 I322 T490 | A307-P320 HydrophobicContact CB-CG 4.17Å; A307-P320 PolarHBondContact N-O 3.35Å; A307-P320 WeakPolarHBondContact O-CD 3.49Å; A307-I322 HydrophobicContact CB-CD1 4.2Å; A307-I322 HydrophobicContact CB-CG2 3.77Å; A307-T490 WeakPolarHBondContact CA-OG1 3.33Å; A307-T490 HydrophobicContact CB-CG2 4.46Å | ||
| 308 | G | 85.9 | Confident | 90.9 | Very high | 7 Ų | 7 | 37.7 Ų | 37.7 | 7% | 0.072 | 19% | 0.188 | C | C | . | . | P | Polyproline II helix | trans | -77.4 | 155.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | C306 T490 | C306-G308 PolarHBondContact O-N 3.44Å; C306-G308 VanDerWaalsContact O-N 3.13Å; G308-T490 PolarHBondContact N-OG1 3.48Å; G308-T490 PolarHBondContact O-OG1 2.91Å |
| 309 | R | 86.8 | Confident | 90.8 | Very high | 87 Ų | 87 | 37.4 Ų | 37.4 | 33% | 0.328 | 19% | 0.187 | S | C | . | . | P | Polyproline II helix | trans | -60.8 | 144.9 | 163.5 | -70.7 | 159.1 | -69.5 | 141.9 | 7.2 | 111.2 | G311 I312 E315 K318 D319 | R309-G311 PolarHBondContact O-N 3.28Å; R309-I312 HydrophobicContact CB-CB 4.44Å; R309-I312 HydrophobicContact CB-CD1 4.32Å; R309-I312 PolarHBondContact O-N 3.41Å; R309-E315 IonicContact CZ-OE2 3.62Å; R309-E315 IonicContact NH1-OE2 3.66Å; R309-E315 IonicContact NH2-OE2 3.04Å; R309-E315 PolarHBondContact NH2-OE2 3.23Å; R309-K318 VanDerWaalsContact CZ-CD 3.41Å; R309-D319 WeakPolarHBondContact CG-OD1 3.37Å; R309-D319 IonicContact CZ-OD1 3.78Å; R309-D319 IonicContact CZ-OD2 3.6Å; R309-D319 PolarHBondContact N-OD1 3.29Å; R309-D319 VanDerWaalsContact N-OD1 3.14Å; R309-D319 IonicContact NE-OD1 2.92Å; R309-D319 PolarHBondContact NE-OD1 2.87Å; R309-D319 IonicContact NE-OD2 3.5Å; R309-D319 IonicContact NH2-OD1 3.92Å; R309-D319 IonicContact NH2-OD2 2.73Å; R309-D319 PolarHBondContact NH2-OD2 3.17Å |
| 310 | K | 76.9 | Confident | 90.6 | Very high | 152 Ų | 152 | 38.7 Ų | 38.7 | 66% | 0.661 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55 | 123.4 | -176.7 | -68.9 | -164.1 | 177.1 | -157.3 | 0 | 111.9 | I312 D491 | K310-I312 VanDerWaalsContact C-N 3.3Å; K310-I312 PolarHBondContact O-N 3.26Å; K310-D491 WeakPolarHBondContact CE-OD1 3.29Å; K310-D491 IonicContact NZ-OD1 3.06Å; K310-D491 PolarHBondContact NZ-OD1 2.95Å; K310-D491 IonicContact NZ-OD2 3.36Å; K310-D491 PolarHBondContact NZ-OD2 3.23Å |
| 311 | G | 72.3 | Confident | 90.6 | Very high | 31 Ų | 31 | 38.7 Ų | 38.7 | 32% | 0.32 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.7 | 9.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | R309 D904 | R309-G311 PolarHBondContact O-N 3.28Å; G311-D904 VanDerWaalsContact O-OD1 3.13Å |
| 312 | I | 79.3 | Confident | 90.5 | Very high | 66 Ų | 66 | 38.8 Ų | 38.8 | 34% | 0.338 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -122.8 | 129.9 | 178.5 | -54.1 | 177.7 | 0 | 0 | 0 | 108.3 | R309 K310 | R309-I312 HydrophobicContact CB-CB 4.44Å; R309-I312 HydrophobicContact CB-CD1 4.32Å; R309-I312 PolarHBondContact O-N 3.41Å; K310-I312 VanDerWaalsContact C-N 3.3Å; K310-I312 PolarHBondContact O-N 3.26Å |
| 313 | F | 81.6 | Confident | 90.5 | Very high | 82 Ų | 82 | 38.8 Ų | 38.8 | 36% | 0.36 | 20% | 0.197 | S | C | . | . | trans | -63 | 139.9 | 173.2 | -171.8 | -98.4 | 0 | 0 | 0 | 109.9 | E315 F388 | F313-E315 PolarHBondContact O-N 3.32Å; F313-F388 AromaticContact CE1-CD2 3.98Å; F313-F388 HydrophobicContact CE1-CD2 3.98Å; F313-F388 AromaticContact CE1-CE2 3.36Å; F313-F388 HydrophobicContact CE1-CE2 3.36Å; F313-F388 AromaticContact CE1-CZ 3.99Å; F313-F388 HydrophobicContact CE1-CZ 3.99Å; F313-F388 HydrophobicContact CZ-CD2 4.05Å; F313-F388 HydrophobicContact CZ-CE1 4.47Å; F313-F388 AromaticContact CZ-CE2 3.47Å; F313-F388 HydrophobicContact CZ-CE2 3.47Å; F313-F388 VanDerWaalsContact CZ-CE2 3.47Å; F313-F388 AromaticContact CZ-CZ 3.71Å; F313-F388 HydrophobicContact CZ-CZ 3.71Å | ||
| 314 | P | 88.5 | Confident | 90.5 | Very high | 14 Ų | 14 | 38.1 Ų | 38.1 | 9% | 0.091 | 19% | 0.193 | C | C | . | . | trans | -54.2 | 135.6 | -174 | -27.6 | 35 | 0 | 0 | 0 | 114 | C306 D319 Y392 | C306-P314 HydrophobicContact CB-CB 3.72Å; C306-P314 HydrophobicContact CB-CG 3.83Å; P314-D319 HydrophobicContact CB-CB 4.15Å; P314-Y392 HydrophobicContact CB-CE2 3.83Å; P314-Y392 WeakPolarHBondContact CB-OH 3.37Å | ||
| 315 | E | 91 | Very high | 90.5 | Very high | 76 Ų | 76 | 37.9 Ų | 37.9 | 36% | 0.355 | 19% | 0.192 | S | C | . | . | trans | -117.1 | 122.2 | 173.1 | -58.1 | 179.2 | 116.6 | 0 | 0 | 109.4 | R309 F313 N317 K318 D319 Y392 | R309-E315 IonicContact CZ-OE2 3.62Å; R309-E315 IonicContact NH1-OE2 3.66Å; R309-E315 IonicContact NH2-OE2 3.04Å; R309-E315 PolarHBondContact NH2-OE2 3.23Å; F313-E315 PolarHBondContact O-N 3.32Å; E315-N317 WeakPolarHBondContact CB-OD1 3.49Å; E315-N317 PolarHBondContact O-N 3.14Å; E315-K318 PolarHBondContact O-N 3.47Å; E315-K318 WeakPolarHBondContact OE2-CD 3.43Å; E315-K318 WeakPolarHBondContact OE2-CE 3.36Å; E315-K318 IonicContact OE2-NZ 2.74Å; E315-K318 PolarHBondContact OE2-NZ 2.93Å; E315-D319 PolarHBondContact N-OD2 2.96Å; E315-D319 PolarHBondContact O-N 3.47Å; E315-Y392 PolarHBondContact O-OH 3.27Å | ||
| 316 | A | 92.7 | Very high | 90.6 | Very high | 12 Ų | 12 | 37.1 Ų | 37.1 | 10% | 0.099 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -27.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | K318 Y392 D395 R396 | A316-K318 PolarHBondContact O-N 3.4Å; A316-Y392 HydrophobicContact CB-CD1 4.12Å; A316-Y392 HydrophobicContact CB-CD2 4.03Å; A316-Y392 HydrophobicContact CB-CE1 4.07Å; A316-Y392 HydrophobicContact CB-CE2 4Å; A316-Y392 HydrophobicContact CB-CG 4.09Å; A316-D395 HydrophobicContact CB-CB 3.83Å; A316-R396 HydrophobicContact CB-CB 4.22Å; A316-R396 WeakPolarHBondContact O-CD 3.26Å; A316-R396 PolarHBondContact O-NH1 2.95Å |
| 317 | N | 92 | Very high | 90.7 | Very high | 85 Ų | 85 | 36.9 Ų | 36.9 | 46% | 0.455 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | 3 | 176.6 | 66.8 | -22 | 0 | 0 | 0 | 114.5 | E315 H399 | E315-N317 WeakPolarHBondContact CB-OD1 3.49Å; E315-N317 PolarHBondContact O-N 3.14Å; N317-H399 PolarHBondContact O-CE1 2.69Å; N317-H399 PolarHBondContact O-NE2 2.83Å; N317-H399 VanDerWaalsContact O-NE2 3.11Å |
| 318 | K | 91.2 | Very high | 91 | Very high | 105 Ų | 105 | 36.2 Ų | 36.2 | 46% | 0.457 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -141.6 | -47.7 | -176.3 | -66.7 | 175.5 | -167.2 | 160.5 | 0 | 112.6 | R309 E315 A316 | R309-K318 VanDerWaalsContact CZ-CD 3.41Å; E315-K318 PolarHBondContact O-N 3.47Å; E315-K318 WeakPolarHBondContact OE2-CD 3.43Å; E315-K318 WeakPolarHBondContact OE2-CE 3.36Å; E315-K318 IonicContact OE2-NZ 2.74Å; E315-K318 PolarHBondContact OE2-NZ 2.93Å; A316-K318 PolarHBondContact O-N 3.4Å |
| 319 | D | 94 | Very high | 91.4 | Very high | 5 Ų | 5 | 36.8 Ų | 36.8 | 3% | 0.027 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -99.9 | 125.8 | -166.8 | -54.6 | -66 | 0 | 0 | 0 | 109.7 | R309 P314 E315 Y392 | R309-D319 WeakPolarHBondContact CG-OD1 3.37Å; R309-D319 IonicContact CZ-OD1 3.78Å; R309-D319 IonicContact CZ-OD2 3.6Å; R309-D319 PolarHBondContact N-OD1 3.29Å; R309-D319 VanDerWaalsContact N-OD1 3.14Å; R309-D319 IonicContact NE-OD1 2.92Å; R309-D319 PolarHBondContact NE-OD1 2.87Å; R309-D319 IonicContact NE-OD2 3.5Å; R309-D319 IonicContact NH2-OD1 3.92Å; R309-D319 IonicContact NH2-OD2 2.73Å; R309-D319 PolarHBondContact NH2-OD2 3.17Å; P314-D319 HydrophobicContact CB-CB 4.15Å; E315-D319 PolarHBondContact N-OD2 2.96Å; E315-D319 PolarHBondContact O-N 3.47Å; D319-Y392 PolarHBondContact O-OH 3.11Å |
| 320 | P | 95.1 | Very high | 91.8 | Very high | 37 Ų | 37 | 34.5 Ų | 34.5 | 24% | 0.24 | 18% | 0.176 | C | C | . | . | P | Polyproline II helix | trans | -76 | 149.5 | -173.1 | 30.3 | -36.4 | 0 | 0 | 0 | 113.3 | C306 A307 I322 E361 | C306-P320 CarbonylContact C-O 3.59Å; C306-P320 VanDerWaalsContact CA-O 3.24Å; C306-P320 WeakPolarHBondContact CA-O 3.42Å; A307-P320 HydrophobicContact CB-CG 4.17Å; A307-P320 PolarHBondContact N-O 3.35Å; A307-P320 WeakPolarHBondContact O-CD 3.49Å; P320-I322 HydrophobicContact CG-CG2 4.45Å; P320-E361 WeakPolarHBondContact CA-OE1 3.41Å; P320-E361 VanDerWaalsContact CB-CD 3.49Å; P320-E361 VanDerWaalsContact CB-OE2 3.31Å; P320-E361 WeakPolarHBondContact CB-OE2 3.35Å |
| 321 | V | 97.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 130.5 | 163.5 | -179.7 | 0 | 0 | 0 | 0 | 108 | I324 E361 L364 L365 Y392 L393 R396 | V321-I324 HydrophobicContact CG1-CD1 4.18Å; V321-I324 HydrophobicContact CG1-CG1 3.87Å; V321-E361 PolarHBondContact N-OE1 3.38Å; V321-L364 HydrophobicContact CG1-CD2 3.95Å; V321-L365 HydrophobicContact CB-CD2 4.42Å; V321-L365 HydrophobicContact CG2-CD2 4.44Å; V321-Y392 HydrophobicContact CG2-CD1 3.77Å; V321-Y392 HydrophobicContact CG2-CE1 3.65Å; V321-L393 HydrophobicContact CG1-CD2 4.11Å; V321-L393 HydrophobicContact CG2-CD2 4.07Å; V321-R396 HydrophobicContact CG2-CB 4.43Å; V321-R396 HydrophobicContact CG2-CG 4.11Å |
| 322 | I | 97.5 | Very high | 93.4 | Very high | 2 Ų | 2 | 29.3 Ų | 29.3 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | -26.3 | -175 | 56.5 | 165.6 | 0 | 0 | 0 | 112.9 | E305 A307 P320 V343 L344 I489 Q493 L503 | E305-I322 HydrophobicContact CB-CD1 4.4Å; E305-I322 HydrophobicContact CB-CG1 4.1Å; E305-I322 WeakPolarHBondContact O-CG1 3.24Å; E305-I322 PolarHBondContact O-N 2.81Å; A307-I322 HydrophobicContact CB-CD1 4.2Å; A307-I322 HydrophobicContact CB-CG2 3.77Å; P320-I322 HydrophobicContact CG-CG2 4.45Å; I322-V343 CarbonylContact O-C 3.58Å; I322-V343 WeakPolarHBondContact O-CA 3.49Å; I322-L344 HydrophobicContact CB-CB 4.37Å; I322-L344 HydrophobicContact CG2-CD2 4.06Å; I322-L344 PolarHBondContact O-N 2.69Å; I322-I489 HydrophobicContact CD1-CG2 3.57Å; I322-Q493 HydrophobicContact CB-CG 4.37Å; I322-Q493 HydrophobicContact CD1-CB 3.81Å; I322-Q493 HydrophobicContact CD1-CG 3.97Å; I322-Q493 HydrophobicContact CG2-CG 4.07Å; I322-L503 HydrophobicContact CD1-CD2 3.5Å; I322-L503 VanDerWaalsContact CD1-CD2 3.5Å; I322-L503 HydrophobicContact CG1-CD2 4.49Å |
| 323 | Q | 98 | Very high | 94 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 145.4 | 175.7 | -54.5 | -175.1 | -18.3 | 0 | 0 | 111.3 | I304 E305 I341 F342 V343 R500 L503 | I304-Q323 WeakPolarHBondContact CA-O 3.3Å; E305-Q323 HydrophobicContact CB-CB 4.15Å; E305-Q323 PolarHBondContact N-O 2.84Å; E305-Q323 PolarHBondContact O-N 3.47Å; Q323-I341 HydrophobicContact CB-CD1 4.2Å; Q323-F342 CarbonylContact C-O 3.41Å; Q323-F342 WeakPolarHBondContact CA-O 3.31Å; Q323-V343 HydrophobicContact CG-CB 4.48Å; Q323-V343 HydrophobicContact CG-CG1 4.06Å; Q323-R500 PolarHBondContact NE2-O 3.06Å; Q323-L503 HydrophobicContact CG-CD2 4.43Å; Q323-L503 PolarHBondContact OE1-O 2.97Å |
| 324 | I | 98.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 107 | 170.2 | -52.3 | 170.8 | 0 | 0 | 0 | 108.6 | F302 D303 I304 V321 N326 I341 F342 L364 L365 W368 L393 | F302-I324 HydrophobicContact CD2-CG2 4.36Å; D303-I324 WeakPolarHBondContact O-CA 3.41Å; I304-I324 HydrophobicContact CG2-CG1 4.05Å; I304-I324 HydrophobicContact CG2-CG2 4.11Å; V321-I324 HydrophobicContact CG1-CD1 4.18Å; V321-I324 HydrophobicContact CG1-CG1 3.87Å; I324-N326 PolarHBondContact O-ND2 2.79Å; I324-I341 WeakPolarHBondContact O-CA 3.29Å; I324-F342 HydrophobicContact CB-CB 4.47Å; I324-F342 PolarHBondContact N-O 2.76Å; I324-F342 PolarHBondContact O-N 2.89Å; I324-L364 HydrophobicContact CD1-CD2 3.45Å; I324-L364 VanDerWaalsContact CD1-CD2 3.45Å; I324-L364 HydrophobicContact CG1-CD2 3.9Å; I324-L365 HydrophobicContact CD1-CD2 4.34Å; I324-W368 HydrophobicContact CB-CG 4.4Å; I324-W368 HydrophobicContact CD1-CB 3.76Å; I324-W368 HydrophobicContact CD1-CD2 4.04Å; I324-W368 HydrophobicContact CD1-CG 3.66Å; I324-W368 HydrophobicContact CG2-CD2 4.22Å; I324-W368 HydrophobicContact CG2-CG 3.97Å; I324-W368 HydrophobicContact CG2-CZ2 4.46Å; I324-L393 HydrophobicContact CD1-CD2 3.7Å; I324-L393 HydrophobicContact CG1-CD2 4.32Å |
| 325 | A | 98.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 142.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | F302 D303 I341 C507 L508 A511 | F302-A325 WeakPolarHBondContact CA-O 3.21Å; F302-A325 WeakPolarHBondContact CB-O 3.36Å; D303-A325 PolarHBondContact N-O 3Å; D303-A325 PolarHBondContact O-N 3.48Å; A325-I341 HydrophobicContact CB-CD1 4.13Å; A325-I341 HydrophobicContact CB-CG1 4.29Å; A325-C507 HydrophobicContact CB-CB 4.11Å; A325-C507 WeakPolarHBondContact CB-O 3.08Å; A325-C507 WeakPolarHBondContact CB-SG 3.3Å; A325-L508 HydrophobicContact CB-CD2 4Å; A325-L508 HydrophobicContact CB-CG 4.14Å; A325-A511 HydrophobicContact CB-CB 3.96Å |
| 326 | N | 98.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 135.5 | -179.5 | -50.4 | -85.5 | 0 | 0 | 0 | 111.8 | L300 S301 F302 I324 N340 F342 W368 F371 | L300-N326 HydrophobicContact CD1-CB 3.72Å; S301-N326 WeakPolarHBondContact O-CA 3.43Å; F302-N326 WeakPolarHBondContact CB-OD1 3.45Å; I324-N326 PolarHBondContact O-ND2 2.79Å; N326-N340 VanDerWaalsContact CB-OD1 3.31Å; N326-N340 WeakPolarHBondContact CB-OD1 3.36Å; N326-N340 PolarHBondContact N-O 3.07Å; N326-N340 PolarHBondContact ND2-OD1 2.97Å; N326-N340 PolarHBondContact O-N 2.95Å; N326-N340 VanDerWaalsContact O-N 3.13Å; N326-F342 WeakPolarHBondContact ND2-CD2 3.4Å; N326-W368 PolarHBondContact OD1-NE1 3.43Å; N326-F371 HydrophobicContact CB-CE1 3.68Å; N326-F371 HydrophobicContact CB-CZ 3.9Å; N326-F371 VanDerWaalsContact CG-CE1 3.49Å |
| 327 | M | 97.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 119.2 | 171.8 | -60.4 | -69 | 177.5 | 0 | 0 | 108 | F37 L41 S301 P336 I338 R339 L508 A511 L515 | F37-M327 HydrophobicContact CZ-CE 4.17Å; L41-M327 HydrophobicContact CD2-CE 4.17Å; S301-M327 PolarHBondContact N-O 2.88Å; S301-M327 PolarHBondContact O-N 3.47Å; M327-P336 HydrophobicContact CB-CB 4.25Å; M327-P336 HydrophobicContact SD-CG 4.23Å; M327-I338 WeakPolarHBondContact CA-O 3.26Å; M327-R339 HydrophobicContact SD-CB 4.18Å; M327-R339 HydrophobicContact SD-CG 3.68Å; M327-L508 HydrophobicContact CE-CB 3.92Å; M327-L508 HydrophobicContact CE-CD2 3.53Å; M327-L508 HydrophobicContact CE-CG 4.33Å; M327-L508 WeakPolarHBondContact CE-O 3.42Å; M327-A511 HydrophobicContact CG-CB 4.04Å; M327-L515 HydrophobicContact CB-CD1 3.49Å; M327-L515 VanDerWaalsContact CB-CD1 3.49Å |
| 328 | V | 97.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 120.9 | 178.1 | -166.1 | 0 | 0 | 0 | 0 | 110 | R298 I299 L300 P336 F337 I338 F371 V375 | R298-V328 HydrophobicContact CB-CG1 4.36Å; I299-V328 WeakPolarHBondContact O-CA 3.14Å; L300-V328 HydrophobicContact CB-CG2 4.47Å; L300-V328 HydrophobicContact CD1-CG2 3.81Å; V328-P336 CarbonylContact O-C 3.57Å; V328-P336 WeakPolarHBondContact O-CA 3.23Å; V328-P336 WeakPolarHBondContact O-CB 3.25Å; V328-F337 HydrophobicContact CB-CE1 4.04Å; V328-F337 HydrophobicContact CB-CZ 4.31Å; V328-F337 HydrophobicContact CG1-CE1 3.6Å; V328-F337 HydrophobicContact CG1-CZ 3.85Å; V328-F337 WeakPolarHBondContact O-CD1 3.08Å; V328-F337 PolarHBondContact O-N 3.42Å; V328-I338 HydrophobicContact CB-CB 3.82Å; V328-I338 HydrophobicContact CB-CD1 4.1Å; V328-I338 HydrophobicContact CB-CG1 4.18Å; V328-I338 HydrophobicContact CG2-CB 3.82Å; V328-I338 HydrophobicContact CG2-CD1 4.02Å; V328-I338 HydrophobicContact CG2-CG1 4.37Å; V328-I338 HydrophobicContact CG2-CG2 4.3Å; V328-I338 PolarHBondContact N-O 2.97Å; V328-I338 PolarHBondContact O-N 2.97Å; V328-F371 HydrophobicContact CG2-CZ 4.13Å; V328-V375 HydrophobicContact CB-CG1 4.46Å; V328-V375 HydrophobicContact CG1-CG1 3.82Å; V328-V375 HydrophobicContact CG2-CG1 3.9Å |
| 329 | Q | 95.7 | Very high | 94.4 | Very high | 18 Ų | 18 | 28.2 Ų | 28.2 | 8% | 0.084 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 140.9 | -179 | -177 | 171.4 | -2.9 | 0 | 0 | 110.5 | I299 E333 K334 P336 L515 | I299-Q329 PolarHBondContact N-O 2.87Å; I299-Q329 PolarHBondContact O-N 3.33Å; Q329-E333 PolarHBondContact NE2-O 2.78Å; Q329-K334 PolarHBondContact NE2-O 3.07Å; Q329-P336 HydrophobicContact CB-CB 4.4Å; Q329-L515 HydrophobicContact CB-CD1 4.15Å; Q329-L515 HydrophobicContact CB-CD2 4.36Å |
| 330 | L | 95.2 | Very high | 94.5 | Very high | 39 Ų | 39 | 28 Ų | 28 | 20% | 0.204 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 134 | 169.8 | -70.1 | 173.6 | 0 | 0 | 0 | 109.8 | P296 R298 G332 E333 F337 | P296-L330 HydrophobicContact CB-CD2 4.38Å; R298-L330 HydrophobicContact CG-CD2 3.54Å; L330-G332 PolarHBondContact O-N 3.06Å; L330-G332 VanDerWaalsContact O-N 3.12Å; L330-E333 HydrophobicContact CB-CB 4.27Å; L330-E333 HydrophobicContact CB-CG 3.71Å; L330-E333 HydrophobicContact CD1-CG 4.44Å; L330-E333 WeakPolarHBondContact O-CB 3.42Å; L330-E333 PolarHBondContact O-N 3.47Å; L330-F337 HydrophobicContact CD2-CE1 4.27Å; L330-F337 HydrophobicContact CG-CD1 4.09Å; L330-F337 HydrophobicContact CG-CE1 3.92Å |
| 331 | Q | 94 | Very high | 94.6 | Very high | 32 Ų | 32 | 26.2 Ų | 26.2 | 15% | 0.15 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 117 | 176.1 | 177.4 | 58.2 | 55.7 | 0 | 0 | 110.7 | I294 F297 I299 | I294-Q331 HydrophobicContact CG2-CG 4.05Å; F297-Q331 HydrophobicContact CB-CB 4.12Å; F297-Q331 PolarHBondContact O-N 3.45Å; I299-Q331 HydrophobicContact CD1-CB 4.34Å |
| 332 | G | 88.7 | Confident | 94.6 | Very high | 42 Ų | 42 | 26.2 Ų | 26.2 | 43% | 0.433 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 111.8 | -27.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113 | L330 | L330-G332 PolarHBondContact O-N 3.06Å; L330-G332 VanDerWaalsContact O-N 3.12Å |
| 333 | E | 90.9 | Very high | 94.7 | Very high | 118 Ų | 118 | 26.1 Ų | 26.1 | 55% | 0.551 | 13% | 0.131 | S | C | * | . | trans | -79.2 | 154.2 | 173.6 | -59.5 | -53.7 | 146.3 | 0 | 0 | 111.1 | Q329 L330 | Q329-E333 PolarHBondContact NE2-O 2.78Å; L330-E333 HydrophobicContact CB-CB 4.27Å; L330-E333 HydrophobicContact CB-CG 3.71Å; L330-E333 HydrophobicContact CD1-CG 4.44Å; L330-E333 WeakPolarHBondContact O-CB 3.42Å; L330-E333 PolarHBondContact O-N 3.47Å | ||
| 334 | K | 86.1 | Confident | 94.6 | Very high | 167 Ų | 167 | 27.6 Ų | 27.6 | 73% | 0.726 | 14% | 0.139 | S | C | * | . | S | Bend | trans | -82.7 | -28.2 | -179.6 | -69.2 | -178.7 | -177 | 172.4 | 0 | 113.2 | Q329 | Q329-K334 PolarHBondContact NE2-O 3.07Š|
| 335 | E | 87.6 | Confident | 94.4 | Very high | 68 Ų | 68 | 31.6 Ų | 31.6 | 32% | 0.318 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -127.5 | 148.2 | -164.8 | -60.8 | -178.6 | 172.4 | 0 | 0 | 111.7 | F44 F337 | F44-E335 HydrophobicContact CD1-CB 4.27Å; F44-E335 HydrophobicContact CD1-CG 3.87Å; F44-E335 WeakPolarHBondContact CD1-OE1 3.38Å; F44-E335 WeakPolarHBondContact CD1-OE2 3.38Å; F44-E335 HydrophobicContact CE1-CB 4.04Å; F44-E335 HydrophobicContact CE1-CG 3.45Å; F44-E335 VanDerWaalsContact CE1-CG 3.45Å; F44-E335 VanDerWaalsContact CE1-OE1 3.24Å; F44-E335 WeakPolarHBondContact CE1-OE1 3.26Å; F44-E335 HydrophobicContact CZ-CB 4.48Å; F44-E335 HydrophobicContact CZ-CG 4.2Å; E335-F337 PolarHBondContact O-N 3.36Å |
| 336 | P | 93.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 124.7 | 172.6 | 29.5 | -32.3 | 0 | 0 | 0 | 110.6 | F44 M327 V328 Q329 R339 Y512 L515 | F44-P336 HydrophobicContact CE2-CG 4.49Å; M327-P336 HydrophobicContact CB-CB 4.25Å; M327-P336 HydrophobicContact SD-CG 4.23Å; V328-P336 CarbonylContact O-C 3.57Å; V328-P336 WeakPolarHBondContact O-CA 3.23Å; V328-P336 WeakPolarHBondContact O-CB 3.25Å; Q329-P336 HydrophobicContact CB-CB 4.4Å; P336-R339 HydrophobicContact CB-CG 4.3Å; P336-R339 HydrophobicContact CG-CG 4.02Å; P336-R339 PolarHBondContact O-NE 3.05Å; P336-Y512 HydrophobicContact CG-CD2 4.42Å; P336-Y512 HydrophobicContact CG-CE2 4.26Å; P336-L515 HydrophobicContact CB-CD1 4.43Å |
| 337 | F | 92 | Very high | 94 | Very high | 52 Ų | 52 | 35.3 Ų | 35.3 | 23% | 0.228 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | -19.9 | 178.3 | 75.5 | -82.3 | 0 | 0 | 0 | 112.6 | V328 L330 E335 | V328-F337 HydrophobicContact CB-CE1 4.04Å; V328-F337 HydrophobicContact CB-CZ 4.31Å; V328-F337 HydrophobicContact CG1-CE1 3.6Å; V328-F337 HydrophobicContact CG1-CZ 3.85Å; V328-F337 WeakPolarHBondContact O-CD1 3.08Å; V328-F337 PolarHBondContact O-N 3.42Å; L330-F337 HydrophobicContact CD2-CE1 4.27Å; L330-F337 HydrophobicContact CG-CD1 4.09Å; L330-F337 HydrophobicContact CG-CE1 3.92Å; E335-F337 PolarHBondContact O-N 3.36Å |
| 338 | I | 93.9 | Very high | 93.8 | Very high | 6 Ų | 6 | 35.6 Ų | 35.6 | 3% | 0.031 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 129 | 169.5 | -53.7 | 172.6 | 0 | 0 | 0 | 108.8 | W72 M327 V328 F371 V375 | W72-I338 HydrophobicContact CB-CD1 4.16Å; W72-I338 HydrophobicContact CG-CD1 4.24Å; M327-I338 WeakPolarHBondContact CA-O 3.26Å; V328-I338 HydrophobicContact CB-CB 3.82Å; V328-I338 HydrophobicContact CB-CD1 4.1Å; V328-I338 HydrophobicContact CB-CG1 4.18Å; V328-I338 HydrophobicContact CG2-CB 3.82Å; V328-I338 HydrophobicContact CG2-CD1 4.02Å; V328-I338 HydrophobicContact CG2-CG1 4.37Å; V328-I338 HydrophobicContact CG2-CG2 4.3Å; V328-I338 PolarHBondContact N-O 2.97Å; V328-I338 PolarHBondContact O-N 2.97Å; I338-F371 HydrophobicContact CG2-CE2 4Å; I338-F371 HydrophobicContact CG2-CZ 4.12Å; I338-V375 HydrophobicContact CD1-CG1 4.27Å; I338-V375 HydrophobicContact CD1-CG2 3.68Å |
| 339 | R | 93.4 | Very high | 93.4 | Very high | 6 Ų | 6 | 40.8 Ų | 40.8 | 2% | 0.023 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 101.8 | 177.7 | -66.2 | 165.9 | -90.7 | 148.7 | -12.9 | 106.8 | L41 F44 M327 P336 G352 C353 Q354 | L41-R339 HydrophobicContact CD2-CG 4.44Å; L41-R339 PolarHBondContact O-NH1 3.16Å; F44-R339 VanDerWaalsContact CB-NH1 3.33Å; F44-R339 PolarHBondContact O-NH2 2.78Å; F44-R339 VanDerWaalsContact O-NH2 3.1Å; M327-R339 HydrophobicContact SD-CB 4.18Å; M327-R339 HydrophobicContact SD-CG 3.68Å; P336-R339 HydrophobicContact CB-CG 4.3Å; P336-R339 HydrophobicContact CG-CG 4.02Å; P336-R339 PolarHBondContact O-NE 3.05Å; R339-G352 WeakPolarHBondContact CB-O 3.45Å; R339-G352 WeakPolarHBondContact CD-O 3.39Å; R339-G352 PolarHBondContact NH1-O 2.84Å; R339-C353 WeakPolarHBondContact O-CA 3.15Å; R339-Q354 PolarHBondContact O-N 3.19Å |
| 340 | N | 95.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 161.2 | 178.5 | 75.8 | 17.8 | 0 | 0 | 0 | 112.2 | N326 Q354 F371 | N326-N340 VanDerWaalsContact CB-OD1 3.31Å; N326-N340 WeakPolarHBondContact CB-OD1 3.36Å; N326-N340 PolarHBondContact N-O 3.07Å; N326-N340 PolarHBondContact ND2-OD1 2.97Å; N326-N340 PolarHBondContact O-N 2.95Å; N326-N340 VanDerWaalsContact O-N 3.13Å; N340-Q354 CarbonylContact C-O 3.54Å; N340-Q354 WeakPolarHBondContact CA-O 3.26Å; N340-Q354 HydrophobicContact CB-CB 3.92Å; N340-Q354 WeakPolarHBondContact CB-O 3.17Å; N340-F371 WeakPolarHBondContact ND2-CD2 3.31Å; N340-F371 WeakPolarHBondContact ND2-CE2 3.17Å |
| 341 | I | 97.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 128.5 | 173.6 | -171.8 | 164.1 | 0 | 0 | 0 | 110.4 | Q323 I324 A325 V343 I350 Q354 V355 V356 A504 C507 L508 | Q323-I341 HydrophobicContact CB-CD1 4.2Å; I324-I341 WeakPolarHBondContact O-CA 3.29Å; A325-I341 HydrophobicContact CB-CD1 4.13Å; A325-I341 HydrophobicContact CB-CG1 4.29Å; I341-V343 HydrophobicContact CD1-CG1 4.15Å; I341-V343 HydrophobicContact CG1-CG1 3.82Å; I341-V343 HydrophobicContact CG2-CG1 4.15Å; I341-I350 HydrophobicContact CG2-CD1 4.42Å; I341-Q354 PolarHBondContact N-O 2.92Å; I341-V355 HydrophobicContact CG2-CG1 4.5Å; I341-V355 HydrophobicContact CG2-CG2 4.15Å; I341-V356 PolarHBondContact O-N 2.86Å; I341-A504 VanDerWaalsContact CD1-CA 3.42Å; I341-A504 HydrophobicContact CD1-CB 3.37Å; I341-A504 HydrophobicContact CG1-CB 4.48Å; I341-A504 HydrophobicContact CG2-CB 4.43Å; I341-C507 HydrophobicContact CD1-CB 4.27Å; I341-L508 HydrophobicContact CB-CD1 4.49Å; I341-L508 HydrophobicContact CB-CD2 4.19Å; I341-L508 HydrophobicContact CB-CG 4.32Å; I341-L508 HydrophobicContact CD1-CG 4.21Å; I341-L508 HydrophobicContact CG2-CD1 4.34Å |
| 342 | F | 97.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 125.8 | 169.8 | -62.8 | -95.6 | 0 | 0 | 0 | 107.9 | W72 Q323 I324 N326 V356 L364 E367 W368 F371 | W72-F342 HydrophobicContact CH2-CZ 4.44Å; Q323-F342 CarbonylContact C-O 3.41Å; Q323-F342 WeakPolarHBondContact CA-O 3.31Å; I324-F342 HydrophobicContact CB-CB 4.47Å; I324-F342 PolarHBondContact N-O 2.76Å; I324-F342 PolarHBondContact O-N 2.89Å; N326-F342 WeakPolarHBondContact ND2-CD2 3.4Å; F342-V356 WeakPolarHBondContact CA-O 3.24Å; F342-V356 HydrophobicContact CD1-CB 3.73Å; F342-V356 HydrophobicContact CD1-CG1 3.66Å; F342-V356 HydrophobicContact CD1-CG2 4.36Å; F342-V356 HydrophobicContact CE1-CB 3.92Å; F342-V356 HydrophobicContact CE1-CG1 3.73Å; F342-V356 HydrophobicContact CE1-CG2 4.1Å; F342-V356 HydrophobicContact CG-CB 4.32Å; F342-V356 HydrophobicContact CZ-CG2 4.44Å; F342-L364 HydrophobicContact CB-CG 4.18Å; F342-E367 HydrophobicContact CD1-CB 3.9Å; F342-E367 HydrophobicContact CE1-CB 3.76Å; F342-W368 HydrophobicContact CD2-CB 4.39Å; F342-W368 AromaticContact CD2-CD1 3.85Å; F342-W368 AromaticContact CE2-CD1 3.98Å; F342-W368 HydrophobicContact CG-CB 4.49Å; F342-F371 HydrophobicContact CE2-CB 4.06Å; F342-F371 HydrophobicContact CE2-CD1 4Å; F342-F371 HydrophobicContact CE2-CD2 4.37Å; F342-F371 AromaticContact CE2-CG 3.88Å; F342-F371 HydrophobicContact CE2-CG 3.88Å; F342-F371 HydrophobicContact CZ-CB 3.61Å; F342-F371 HydrophobicContact CZ-CD1 4.39Å; F342-F371 HydrophobicContact CZ-CD2 4.2Å; F342-F371 AromaticContact CZ-CG 3.82Å; F342-F371 HydrophobicContact CZ-CG 3.82Å |
| 343 | V | 97.7 | Very high | 92 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 140.9 | -176.1 | -61.9 | 0 | 0 | 0 | 0 | 110.5 | I322 Q323 I341 C347 V355 V356 C358 A504 | I322-V343 CarbonylContact O-C 3.58Å; I322-V343 WeakPolarHBondContact O-CA 3.49Å; Q323-V343 HydrophobicContact CG-CB 4.48Å; Q323-V343 HydrophobicContact CG-CG1 4.06Å; I341-V343 HydrophobicContact CD1-CG1 4.15Å; I341-V343 HydrophobicContact CG1-CG1 3.82Å; I341-V343 HydrophobicContact CG2-CG1 4.15Å; V343-C347 HydrophobicContact CB-CB 4.32Å; V343-C347 HydrophobicContact CG1-CB 4.33Å; V343-C347 HydrophobicContact CG2-CB 3.66Å; V343-V355 HydrophobicContact CG2-CG1 3.95Å; V343-V356 PolarHBondContact N-O 3.14Å; V343-C358 PolarHBondContact O-N 3.42Å; V343-A504 HydrophobicContact CG1-CB 4.37Å |
| 344 | L | 96.4 | Very high | 92 | Very high | 31 Ų | 31 | 35.3 Ų | 35.3 | 16% | 0.162 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 125.7 | 171.1 | -177.3 | 65.2 | 0 | 0 | 0 | 108.6 | I322 L364 Q493 | I322-L344 HydrophobicContact CB-CB 4.37Å; I322-L344 HydrophobicContact CG2-CD2 4.06Å; I322-L344 PolarHBondContact O-N 2.69Å; L344-L364 HydrophobicContact CB-CD1 4Å; L344-Q493 PolarHBondContact O-NE2 3.49Å |
| 345 | D | 95 | Very high | 92.4 | Very high | 85 Ų | 85 | 29.1 Ų | 29.1 | 46% | 0.455 | 16% | 0.163 | S | C | . | . | S | Bend | trans | 72.8 | -173.7 | -172.1 | -152.2 | -6.7 | 0 | 0 | 0 | 113.5 | S357 C358 R500 | D345-S357 WeakPolarHBondContact O-CB 3.49Å; D345-C358 PolarHBondContact N-O 2.92Å; D345-R500 IonicContact OD2-CZ 3.27Å; D345-R500 IonicContact OD2-NH2 2.76Å |
| 346 | T | 94.9 | Very high | 92.7 | Very high | 64 Ų | 64 | 27.4 Ų | 27.4 | 39% | 0.393 | 16% | 0.157 | S | C | . | . | trans | -68.6 | 146.2 | -178 | 63.7 | 0 | 0 | 0 | 0 | 112.6 | R500 | T346-R500 PolarHBondContact O-NE 3.06Å; T346-R500 PolarHBondContact O-NH2 3.2Å; T346-R500 PolarHBondContact OG1-NH2 2.99Å | ||
| 347 | C | 94 | Very high | 92.8 | Very high | 14 Ų | 14 | 30.2 Ų | 30.2 | 10% | 0.095 | 18% | 0.177 | C | C | . | . | trans | -138.6 | 136.3 | 172.5 | 177.1 | 0 | 0 | 0 | 0 | 108.7 | V343 V355 R501 | V343-C347 HydrophobicContact CB-CB 4.32Å; V343-C347 HydrophobicContact CG1-CB 4.33Å; V343-C347 HydrophobicContact CG2-CB 3.66Å; C347-V355 HydrophobicContact CB-CG1 3.74Å; C347-R501 WeakPolarHBondContact SG-CA 3.23Å | ||
| 348 | A | 92 | Very high | 92.9 | Very high | 5 Ų | 5 | 27.9 Ų | 27.9 | 4% | 0.041 | 17% | 0.167 | C | C | . | . | trans | -63.7 | 148.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | E497 R501 | A348-E497 HydrophobicContact CB-CB 4.31Å; A348-E497 HydrophobicContact CB-CG 4.11Å; A348-E497 PolarHBondContact N-O 3.11Å; A348-R501 HydrophobicContact CB-CB 4.09Å; A348-R501 HydrophobicContact CB-CG 4.34Å | ||
| 349 | P | 89.9 | Confident | 92.8 | Very high | 109 Ų | 109 | 38.4 Ų | 38.4 | 71% | 0.708 | 21% | 0.206 | S | C | * | . | trans | -56.6 | 145.9 | -177.1 | -25.6 | 34.3 | 0 | 0 | 0 | 113.4 | R501 | P349-R501 PolarHBondContact O-NE 3.11Š| ||
| 350 | I | 88.5 | Confident | 92.8 | Very high | 7 Ų | 7 | 41.8 Ų | 41.8 | 4% | 0.036 | 23% | 0.228 | C | C | . | . | B | Isolated β-bridge | trans | -119.6 | 118.5 | 175.3 | -59.1 | 172.1 | 0 | 0 | 0 | 107.1 | I341 G352 C353 V355 R501 A504 V505 L508 | I341-I350 HydrophobicContact CG2-CD1 4.42Å; I350-G352 PolarHBondContact O-N 3.45Å; I350-C353 HydrophobicContact CB-CB 4.13Å; I350-C353 HydrophobicContact CG2-CB 3.92Å; I350-C353 PolarHBondContact O-N 3.32Å; I350-V355 HydrophobicContact CB-CG2 4.22Å; I350-V355 HydrophobicContact CD1-CG2 4.27Å; I350-V355 HydrophobicContact CG1-CG2 4.16Å; I350-R501 HydrophobicContact CD1-CG 4.27Å; I350-R501 HydrophobicContact CG1-CG 3.75Å; I350-A504 HydrophobicContact CD1-CB 3.61Å; I350-V505 HydrophobicContact CD1-CG2 4.01Å; I350-V505 HydrophobicContact CG1-CG2 4.25Å; I350-V505 HydrophobicContact CG2-CG2 4.2Å; I350-L508 HydrophobicContact CD1-CD1 3.85Å; I350-L508 HydrophobicContact CG2-CD1 4.25Å |
| 351 | V | 82.6 | Confident | 92.6 | Very high | 69 Ų | 69 | 42.5 Ų | 42.5 | 42% | 0.418 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | 135.6 | -178.9 | -171.5 | 0 | 0 | 0 | 0 | 109.9 | A42 C353 | A42-V351 HydrophobicContact CB-CB 4.26Å; A42-V351 HydrophobicContact CB-CG1 3.43Å; A42-V351 VanDerWaalsContact CB-CG1 3.43Å; V351-C353 VanDerWaalsContact C-N 3.27Å; V351-C353 PolarHBondContact O-N 2.82Å |
| 352 | G | 82.5 | Confident | 92.4 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.9 | 11 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | L41 E45 R339 I350 | L41-G352 WeakPolarHBondContact O-CA 3.37Å; E45-G352 WeakPolarHBondContact OE1-CA 3.44Å; E45-G352 PolarHBondContact OE1-N 2.83Å; R339-G352 WeakPolarHBondContact CB-O 3.45Å; R339-G352 WeakPolarHBondContact CD-O 3.39Å; R339-G352 PolarHBondContact NH1-O 2.84Å; I350-G352 PolarHBondContact O-N 3.45Å |
| 353 | C | 89.5 | Confident | 92.1 | Very high | 12 Ų | 12 | 46.4 Ų | 46.4 | 8% | 0.081 | 25% | 0.252 | C | S | . | . | B | Isolated β-bridge | trans | -143.3 | 129 | -179.2 | 179 | 0 | 0 | 0 | 0 | 112.4 | R339 I350 V351 V355 L508 | R339-C353 WeakPolarHBondContact O-CA 3.15Å; I350-C353 HydrophobicContact CB-CB 4.13Å; I350-C353 HydrophobicContact CG2-CB 3.92Å; I350-C353 PolarHBondContact O-N 3.32Å; V351-C353 VanDerWaalsContact C-N 3.27Å; V351-C353 PolarHBondContact O-N 2.82Å; C353-V355 PolarHBondContact O-N 3.5Å; C353-L508 HydrophobicContact CB-CD1 4.17Å; C353-L508 VanDerWaalsContact SG-CD1 3.57Å |
| 354 | Q | 92.2 | Very high | 91.9 | Very high | 47 Ų | 47 | 46.4 Ų | 46.4 | 22% | 0.22 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 122.3 | 173.4 | -171.8 | -176.9 | 37.6 | 0 | 0 | 110.9 | D54 R339 N340 I341 V356 | D54-Q354 PolarHBondContact OD1-NE2 3.05Å; D54-Q354 VanDerWaalsContact OD1-NE2 3.11Å; R339-Q354 PolarHBondContact O-N 3.19Å; N340-Q354 CarbonylContact C-O 3.54Å; N340-Q354 WeakPolarHBondContact CA-O 3.26Å; N340-Q354 HydrophobicContact CB-CB 3.92Å; N340-Q354 WeakPolarHBondContact CB-O 3.17Å; I341-Q354 PolarHBondContact N-O 2.92Å; Q354-V356 HydrophobicContact CG-CG2 4.38Å |
| 355 | V | 93.7 | Very high | 91.9 | Very high | 36 Ų | 36 | 45 Ų | 45 | 22% | 0.218 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 110.4 | -179.9 | -179.5 | 0 | 0 | 0 | 0 | 110.1 | I341 V343 C347 I350 C353 | I341-V355 HydrophobicContact CG2-CG1 4.5Å; I341-V355 HydrophobicContact CG2-CG2 4.15Å; V343-V355 HydrophobicContact CG2-CG1 3.95Å; C347-V355 HydrophobicContact CB-CG1 3.74Å; I350-V355 HydrophobicContact CB-CG2 4.22Å; I350-V355 HydrophobicContact CD1-CG2 4.27Å; I350-V355 HydrophobicContact CG1-CG2 4.16Å; C353-V355 PolarHBondContact O-N 3.5Å |
| 356 | V | 94.4 | Very high | 91.8 | Very high | 32 Ų | 32 | 41.9 Ų | 41.9 | 19% | 0.194 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 93.9 | 179.5 | -173.8 | 0 | 0 | 0 | 0 | 110 | I341 F342 V343 Q354 | I341-V356 PolarHBondContact O-N 2.86Å; F342-V356 WeakPolarHBondContact CA-O 3.24Å; F342-V356 HydrophobicContact CD1-CB 3.73Å; F342-V356 HydrophobicContact CD1-CG1 3.66Å; F342-V356 HydrophobicContact CD1-CG2 4.36Å; F342-V356 HydrophobicContact CE1-CB 3.92Å; F342-V356 HydrophobicContact CE1-CG1 3.73Å; F342-V356 HydrophobicContact CE1-CG2 4.1Å; F342-V356 HydrophobicContact CG-CB 4.32Å; F342-V356 HydrophobicContact CZ-CG2 4.44Å; V343-V356 PolarHBondContact N-O 3.14Å; Q354-V356 HydrophobicContact CG-CG2 4.38Å |
| 357 | S | 94.9 | Very high | 91.7 | Very high | 60 Ų | 60 | 41.5 Ų | 41.5 | 42% | 0.42 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 122.8 | -179.9 | -62 | 0 | 0 | 0 | 0 | 112.3 | D345 | D345-S357 WeakPolarHBondContact O-CB 3.49Å |
| 358 | C | 93.8 | Very high | 91.8 | Very high | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.014 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 136.3 | -178.3 | -65.6 | 0 | 0 | 0 | 0 | 110.7 | V343 D345 Q363 L364 | V343-C358 PolarHBondContact O-N 3.42Å; D345-C358 PolarHBondContact N-O 2.92Å; C358-Q363 HydrophobicContact CB-CB 4.34Å; C358-Q363 HydrophobicContact CB-CG 4.22Å; C358-L364 HydrophobicContact CB-CB 3.78Å |
| 359 | R | 92.4 | Very high | 92 | Very high | 227 Ų | 227 | 40.8 Ų | 40.8 | 86% | 0.857 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -77.5 | -27.5 | -177.4 | -66.1 | -176.6 | -179.9 | -179.2 | 0.7 | 113.5 | ||
| 360 | T | 92.3 | Very high | 92.1 | Very high | 78 Ų | 78 | 39.3 Ų | 39.3 | 48% | 0.479 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -133.1 | 152.3 | -178.8 | 66.9 | 0 | 0 | 0 | 0 | 109.8 | G362 Q363 L364 | T360-G362 VanDerWaalsContact C-N 3.25Å; T360-G362 PolarHBondContact O-N 3.45Å; T360-Q363 WeakPolarHBondContact O-CB 3.48Å; T360-Q363 PolarHBondContact O-N 3.38Å; T360-Q363 VanDerWaalsContact O-N 3.16Å; T360-Q363 WeakPolarHBondContact OG1-CB 3.24Å; T360-Q363 PolarHBondContact OG1-N 2.96Å; T360-L364 PolarHBondContact O-N 2.87Å |
| 361 | E | 93.4 | Very high | 92.4 | Very high | 14 Ų | 14 | 39 Ų | 39 | 7% | 0.065 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.5 | -36.7 | 176.9 | -176.3 | -178 | -170.4 | 0 | 0 | 111.8 | P320 V321 Q363 L364 L365 R396 L400 | P320-E361 WeakPolarHBondContact CA-OE1 3.41Å; P320-E361 VanDerWaalsContact CB-CD 3.49Å; P320-E361 VanDerWaalsContact CB-OE2 3.31Å; P320-E361 WeakPolarHBondContact CB-OE2 3.35Å; V321-E361 PolarHBondContact N-OE1 3.38Å; E361-Q363 VanDerWaalsContact C-N 3.31Å; E361-Q363 PolarHBondContact O-N 3.19Å; E361-L364 WeakPolarHBondContact O-CB 3.46Å; E361-L364 PolarHBondContact O-N 3.33Å; E361-L365 HydrophobicContact CG-CD1 4.32Å; E361-L365 HydrophobicContact CG-CG 4.5Å; E361-L365 WeakPolarHBondContact O-CG 3.49Å; E361-L365 PolarHBondContact O-N 3.46Å; E361-R396 VanDerWaalsContact CD-NE 3.27Å; E361-R396 WeakPolarHBondContact OE1-CD 3.45Å; E361-R396 VanDerWaalsContact OE1-CG 3.27Å; E361-R396 WeakPolarHBondContact OE1-CG 3.46Å; E361-R396 IonicContact OE1-CZ 3.62Å; E361-R396 IonicContact OE1-NE 2.68Å; E361-R396 PolarHBondContact OE1-NE 3.26Å; E361-R396 IonicContact OE1-NH2 3.87Å; E361-R396 IonicContact OE2-CZ 3.72Å; E361-R396 IonicContact OE2-NE 3.75Å; E361-R396 PolarHBondContact OE2-NE 2.97Å; E361-R396 VanDerWaalsContact OE2-NE 3.15Å; E361-R396 IonicContact OE2-NH2 2.83Å; E361-R396 PolarHBondContact OE2-NH2 3.33Å; E361-L400 HydrophobicContact CB-CD1 4.28Å; E361-L400 HydrophobicContact CG-CD1 3.84Å |
| 362 | G | 91.5 | Very high | 93.1 | Very high | 8 Ų | 8 | 35.9 Ų | 35.9 | 8% | 0.082 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.9 | -38 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | T360 S366 I410 | T360-G362 VanDerWaalsContact C-N 3.25Å; T360-G362 PolarHBondContact O-N 3.45Å; G362-S366 WeakPolarHBondContact O-CB 3.36Å; G362-S366 PolarHBondContact O-N 3.31Å; G362-S366 PolarHBondContact O-OG 3.02Å; G362-I410 VanDerWaalsContact CA-CD1 3.43Å |
| 363 | Q | 91.6 | Very high | 93.7 | Very high | 75 Ų | 75 | 36.1 Ų | 36.1 | 35% | 0.35 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -62.7 | -48.6 | 171.6 | -176.1 | -175.1 | 9.8 | 0 | 0 | 110.7 | C358 T360 E361 L365 S366 E367 | C358-Q363 HydrophobicContact CB-CB 4.34Å; C358-Q363 HydrophobicContact CB-CG 4.22Å; T360-Q363 WeakPolarHBondContact O-CB 3.48Å; T360-Q363 PolarHBondContact O-N 3.38Å; T360-Q363 VanDerWaalsContact O-N 3.16Å; T360-Q363 WeakPolarHBondContact OG1-CB 3.24Å; T360-Q363 PolarHBondContact OG1-N 2.96Å; E361-Q363 VanDerWaalsContact C-N 3.31Å; E361-Q363 PolarHBondContact O-N 3.19Å; Q363-L365 VanDerWaalsContact C-N 3.32Å; Q363-L365 PolarHBondContact O-N 2.99Å; Q363-S366 PolarHBondContact O-N 3.45Å; Q363-E367 HydrophobicContact CG-CG 4.04Å; Q363-E367 WeakPolarHBondContact O-CB 3.26Å; Q363-E367 VanDerWaalsContact O-CG 3.3Å; Q363-E367 WeakPolarHBondContact O-CG 3.37Å; Q363-E367 PolarHBondContact O-N 3.26Å |
| 364 | L | 94.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -53.7 | -48 | 178.6 | 179.7 | 154.9 | 0 | 0 | 0 | 112.1 | V321 I324 F342 L344 C358 T360 E361 W368 | V321-L364 HydrophobicContact CG1-CD2 3.95Å; I324-L364 HydrophobicContact CD1-CD2 3.45Å; I324-L364 VanDerWaalsContact CD1-CD2 3.45Å; I324-L364 HydrophobicContact CG1-CD2 3.9Å; F342-L364 HydrophobicContact CB-CG 4.18Å; L344-L364 HydrophobicContact CB-CD1 4Å; C358-L364 HydrophobicContact CB-CB 3.78Å; T360-L364 PolarHBondContact O-N 2.87Å; E361-L364 WeakPolarHBondContact O-CB 3.46Å; E361-L364 PolarHBondContact O-N 3.33Å; L364-W368 WeakPolarHBondContact O-CB 3.49Å; L364-W368 PolarHBondContact O-N 3.26Å |
| 365 | L | 95.6 | Very high | 94 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.6 | -45.3 | 179.9 | -67.8 | 175.7 | 0 | 0 | 0 | 112.2 | V321 I324 E361 Q363 W368 A369 L393 R396 A397 L400 I410 F413 | V321-L365 HydrophobicContact CB-CD2 4.42Å; V321-L365 HydrophobicContact CG2-CD2 4.44Å; I324-L365 HydrophobicContact CD1-CD2 4.34Å; E361-L365 HydrophobicContact CG-CD1 4.32Å; E361-L365 HydrophobicContact CG-CG 4.5Å; E361-L365 WeakPolarHBondContact O-CG 3.49Å; E361-L365 PolarHBondContact O-N 3.46Å; Q363-L365 VanDerWaalsContact C-N 3.32Å; Q363-L365 PolarHBondContact O-N 2.99Å; L365-W368 PolarHBondContact O-N 3.44Å; L365-A369 WeakPolarHBondContact O-CB 3.44Å; L365-A369 PolarHBondContact O-N 3.46Å; L365-L393 HydrophobicContact CD2-CD2 3.59Å; L365-R396 HydrophobicContact CD1-CG 4.08Å; L365-A397 HydrophobicContact CD1-CB 4.23Å; L365-L400 HydrophobicContact CD1-CD1 3.83Å; L365-I410 HydrophobicContact CD1-CD1 4.12Å; L365-F413 HydrophobicContact CB-CD2 3.72Å; L365-F413 HydrophobicContact CB-CE2 3.88Å; L365-F413 HydrophobicContact CD2-CE2 3.94Å; L365-F413 HydrophobicContact CD2-CZ 4.49Å; L365-F413 HydrophobicContact CG-CE2 4.47Å; L365-F413 VanDerWaalsContact O-CD2 3.22Å; L365-F413 WeakPolarHBondContact O-CD2 2.91Å; L365-F413 WeakPolarHBondContact O-CE2 3.25Å |
| 366 | S | 93.3 | Very high | 94.1 | Very high | 20 Ų | 20 | 32.7 Ų | 32.7 | 14% | 0.14 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.4 | -40.7 | 178.1 | -77.4 | 0 | 0 | 0 | 0 | 112.3 | G362 Q363 A369 R370 D412 | G362-S366 WeakPolarHBondContact O-CB 3.36Å; G362-S366 PolarHBondContact O-N 3.31Å; G362-S366 PolarHBondContact O-OG 3.02Å; Q363-S366 PolarHBondContact O-N 3.45Å; S366-A369 PolarHBondContact O-N 2.92Å; S366-R370 WeakPolarHBondContact O-CB 3.4Å; S366-R370 PolarHBondContact O-N 2.91Å; S366-D412 PolarHBondContact OG-OD1 3.27Å |
| 367 | E | 92.6 | Very high | 94.3 | Very high | 56 Ų | 56 | 31.1 Ų | 31.1 | 26% | 0.262 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -63 | -45 | 175.2 | -71.1 | -51.8 | 136.1 | 0 | 0 | 111.6 | F342 Q363 A369 R370 F371 | F342-E367 HydrophobicContact CD1-CB 3.9Å; F342-E367 HydrophobicContact CE1-CB 3.76Å; Q363-E367 HydrophobicContact CG-CG 4.04Å; Q363-E367 WeakPolarHBondContact O-CB 3.26Å; Q363-E367 VanDerWaalsContact O-CG 3.3Å; Q363-E367 WeakPolarHBondContact O-CG 3.37Å; Q363-E367 PolarHBondContact O-N 3.26Å; E367-A369 PolarHBondContact O-N 3.35Å; E367-R370 WeakPolarHBondContact O-CB 3.22Å; E367-R370 PolarHBondContact O-N 2.84Å; E367-R370 IonicContact OE1-CZ 2.83Å; E367-R370 IonicContact OE1-NH1 3.75Å; E367-R370 PolarHBondContact OE1-NH1 2.93Å; E367-R370 IonicContact OE2-CZ 3.69Å; E367-R370 IonicContact OE2-NH1 3.71Å; E367-R370 PolarHBondContact OE2-NH1 3.32Å; E367-F371 WeakPolarHBondContact O-CB 3.39Å; E367-F371 PolarHBondContact O-N 2.82Å |
| 368 | W | 96.1 | Very high | 94.4 | Very high | 4 Ų | 4 | 28.3 Ų | 28.3 | 2% | 0.015 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.6 | -41.3 | 176.1 | -177.4 | 77.3 | 0 | 0 | 0 | 112.4 | F302 I324 N326 F342 L364 L365 R370 F371 V372 L390 L393 F413 L416 | F302-W368 HydrophobicContact CD1-CZ2 4.39Å; F302-W368 HydrophobicContact CD2-CH2 4.47Å; F302-W368 AromaticContact CD2-CZ2 3.74Å; F302-W368 HydrophobicContact CD2-CZ2 3.74Å; F302-W368 HydrophobicContact CE1-CZ2 4.46Å; F302-W368 HydrophobicContact CE2-CH2 4.09Å; F302-W368 AromaticContact CE2-CZ2 3.81Å; F302-W368 HydrophobicContact CE2-CZ2 3.81Å; F302-W368 HydrophobicContact CG-CZ2 4.04Å; F302-W368 HydrophobicContact CZ-CH2 4.24Å; F302-W368 HydrophobicContact CZ-CZ2 4.18Å; I324-W368 HydrophobicContact CB-CG 4.4Å; I324-W368 HydrophobicContact CD1-CB 3.76Å; I324-W368 HydrophobicContact CD1-CD2 4.04Å; I324-W368 HydrophobicContact CD1-CG 3.66Å; I324-W368 HydrophobicContact CG2-CD2 4.22Å; I324-W368 HydrophobicContact CG2-CG 3.97Å; I324-W368 HydrophobicContact CG2-CZ2 4.46Å; N326-W368 PolarHBondContact OD1-NE1 3.43Å; F342-W368 HydrophobicContact CD2-CB 4.39Å; F342-W368 AromaticContact CD2-CD1 3.85Å; F342-W368 AromaticContact CE2-CD1 3.98Å; F342-W368 HydrophobicContact CG-CB 4.49Å; L364-W368 WeakPolarHBondContact O-CB 3.49Å; L364-W368 PolarHBondContact O-N 3.26Å; L365-W368 PolarHBondContact O-N 3.44Å; W368-R370 VanDerWaalsContact C-N 3.31Å; W368-R370 PolarHBondContact O-N 3.17Å; W368-F371 WeakPolarHBondContact O-CB 3.46Å; W368-F371 PolarHBondContact O-N 3.27Å; W368-V372 HydrophobicContact CD2-CG2 3.96Å; W368-V372 HydrophobicContact CE3-CG2 4.16Å; W368-V372 HydrophobicContact CH2-CG2 3.92Å; W368-V372 HydrophobicContact CZ2-CG2 3.67Å; W368-V372 HydrophobicContact CZ3-CG2 4.13Å; W368-V372 WeakPolarHBondContact O-CG2 3.47Å; W368-V372 PolarHBondContact O-N 3.42Å; W368-L390 HydrophobicContact CH2-CD2 4.43Å; W368-L393 HydrophobicContact CE3-CD1 4.2Å; W368-L393 HydrophobicContact CH2-CD1 3.65Å; W368-L393 HydrophobicContact CZ2-CD1 4.18Å; W368-L393 HydrophobicContact CZ3-CD1 3.69Å; W368-F413 AromaticContact CE3-CE2 3.83Å; W368-F413 HydrophobicContact CE3-CE2 3.83Å; W368-F413 AromaticContact CE3-CZ 3.89Å; W368-F413 HydrophobicContact CE3-CZ 3.89Å; W368-F413 HydrophobicContact CZ3-CE2 4.22Å; W368-F413 AromaticContact CZ3-CZ 3.8Å; W368-F413 HydrophobicContact CZ3-CZ 3.8Å; W368-L416 HydrophobicContact CZ3-CD1 4.27Å; W368-L416 HydrophobicContact CZ3-CD2 4.04Å |
| 369 | A | 95.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64 | -37.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L365 S366 E367 R373 F413 L416 | L365-A369 WeakPolarHBondContact O-CB 3.44Å; L365-A369 PolarHBondContact O-N 3.46Å; S366-A369 PolarHBondContact O-N 2.92Å; E367-A369 PolarHBondContact O-N 3.35Å; A369-R373 VanDerWaalsContact C-CZ 3.47Å; A369-R373 VanDerWaalsContact C-NH1 3.33Å; A369-R373 VanDerWaalsContact CB-NH1 3.31Å; A369-R373 VanDerWaalsContact O-CG 3.32Å; A369-R373 WeakPolarHBondContact O-CG 3.47Å; A369-R373 VanDerWaalsContact O-CZ 3.28Å; A369-R373 PolarHBondContact O-N 2.87Å; A369-R373 PolarHBondContact O-NE 2.99Å; A369-R373 PolarHBondContact O-NH1 2.63Å; A369-F413 HydrophobicContact CB-CD2 3.75Å; A369-F413 HydrophobicContact CB-CE2 4.09Å; A369-F413 HydrophobicContact CB-CG 4.36Å; A369-L416 HydrophobicContact CB-CD2 4.08Å |
| 370 | R | 93 | Very high | 94.9 | Very high | 79 Ų | 79 | 17.6 Ų | 17.6 | 30% | 0.298 | 9% | 0.089 | S | C | . | . | H | α-helix | trans | -62.6 | -48.3 | 171.8 | -177.2 | -176.5 | -64.6 | 102.4 | -2.3 | 111.1 | S366 E367 W368 V372 R373 E374 | S366-R370 WeakPolarHBondContact O-CB 3.4Å; S366-R370 PolarHBondContact O-N 2.91Å; E367-R370 WeakPolarHBondContact O-CB 3.22Å; E367-R370 PolarHBondContact O-N 2.84Å; E367-R370 IonicContact OE1-CZ 2.83Å; E367-R370 IonicContact OE1-NH1 3.75Å; E367-R370 PolarHBondContact OE1-NH1 2.93Å; E367-R370 IonicContact OE2-CZ 3.69Å; E367-R370 IonicContact OE2-NH1 3.71Å; E367-R370 PolarHBondContact OE2-NH1 3.32Å; W368-R370 VanDerWaalsContact C-N 3.31Å; W368-R370 PolarHBondContact O-N 3.17Å; R370-V372 PolarHBondContact O-N 3.34Å; R370-R373 WeakPolarHBondContact O-CA 3.48Å; R370-R373 WeakPolarHBondContact O-CB 3.28Å; R370-R373 PolarHBondContact O-N 3.3Å; R370-E374 WeakPolarHBondContact O-CB 3.19Å; R370-E374 PolarHBondContact O-N 2.67Å |
| 371 | F | 94.9 | Very high | 95.2 | Very high | 1 Ų | 1 | 13.9 Ų | 13.9 | 0% | 0.004 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -54.3 | -48.1 | 176.3 | 166.8 | -100.4 | 0 | 0 | 0 | 112.6 | W72 L300 N326 V328 I338 N340 F342 E367 W368 R373 E374 V375 | W72-F371 AromaticContact CD2-CD2 3.82Å; W72-F371 HydrophobicContact CD2-CD2 3.82Å; W72-F371 HydrophobicContact CD2-CE2 4.04Å; W72-F371 AromaticContact CE3-CD2 3.76Å; W72-F371 HydrophobicContact CE3-CD2 3.76Å; W72-F371 HydrophobicContact CE3-CE2 4.43Å; W72-F371 HydrophobicContact CG-CD2 4.47Å; W72-F371 HydrophobicContact CG-CE2 4.31Å; W72-F371 HydrophobicContact CH2-CD2 4.08Å; W72-F371 HydrophobicContact CZ2-CD2 4.13Å; W72-F371 HydrophobicContact CZ2-CE2 4.47Å; W72-F371 HydrophobicContact CZ3-CB 4.45Å; W72-F371 AromaticContact CZ3-CD2 3.9Å; W72-F371 HydrophobicContact CZ3-CD2 3.9Å; L300-F371 HydrophobicContact CD1-CE1 4.13Å; L300-F371 HydrophobicContact CD2-CE1 4.48Å; N326-F371 HydrophobicContact CB-CE1 3.68Å; N326-F371 HydrophobicContact CB-CZ 3.9Å; N326-F371 VanDerWaalsContact CG-CE1 3.49Å; V328-F371 HydrophobicContact CG2-CZ 4.13Å; I338-F371 HydrophobicContact CG2-CE2 4Å; I338-F371 HydrophobicContact CG2-CZ 4.12Å; N340-F371 WeakPolarHBondContact ND2-CD2 3.31Å; N340-F371 WeakPolarHBondContact ND2-CE2 3.17Å; F342-F371 HydrophobicContact CE2-CB 4.06Å; F342-F371 HydrophobicContact CE2-CD1 4Å; F342-F371 HydrophobicContact CE2-CD2 4.37Å; F342-F371 AromaticContact CE2-CG 3.88Å; F342-F371 HydrophobicContact CE2-CG 3.88Å; F342-F371 HydrophobicContact CZ-CB 3.61Å; F342-F371 HydrophobicContact CZ-CD1 4.39Å; F342-F371 HydrophobicContact CZ-CD2 4.2Å; F342-F371 AromaticContact CZ-CG 3.82Å; F342-F371 HydrophobicContact CZ-CG 3.82Å; E367-F371 WeakPolarHBondContact O-CB 3.39Å; E367-F371 PolarHBondContact O-N 2.82Å; W368-F371 WeakPolarHBondContact O-CB 3.46Å; W368-F371 PolarHBondContact O-N 3.27Å; F371-R373 PolarHBondContact O-N 3.15Å; F371-E374 PolarHBondContact O-N 3.22Å; F371-V375 HydrophobicContact CD2-CG2 3.67Å; F371-V375 HydrophobicContact CE1-CG2 4.23Å; F371-V375 HydrophobicContact CE2-CG2 3.24Å; F371-V375 HydrophobicContact CG-CG2 4.33Å; F371-V375 HydrophobicContact CZ-CG2 3.57Å; F371-V375 WeakPolarHBondContact O-CB 3.41Å; F371-V375 WeakPolarHBondContact O-CG2 3.3Å; F371-V375 PolarHBondContact O-N 3.09Å |
| 372 | V | 96.3 | Very high | 95.4 | Very high | 2 Ų | 2 | 13.2 Ų | 13.2 | 1% | 0.012 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -58.9 | -36.7 | 176.5 | 172 | 0 | 0 | 0 | 0 | 111.5 | L300 W368 R370 D376 P377 R449 | L300-V372 HydrophobicContact CD2-CG2 3.96Å; W368-V372 HydrophobicContact CD2-CG2 3.96Å; W368-V372 HydrophobicContact CE3-CG2 4.16Å; W368-V372 HydrophobicContact CH2-CG2 3.92Å; W368-V372 HydrophobicContact CZ2-CG2 3.67Å; W368-V372 HydrophobicContact CZ3-CG2 4.13Å; W368-V372 WeakPolarHBondContact O-CG2 3.47Å; W368-V372 PolarHBondContact O-N 3.42Å; R370-V372 PolarHBondContact O-N 3.34Å; V372-D376 PolarHBondContact O-N 2.79Å; V372-P377 HydrophobicContact CG1-CG 4.39Å; V372-P377 WeakPolarHBondContact O-CD 3.38Å; V372-R449 PolarHBondContact O-NH2 3.31Å |
| 373 | R | 95 | Very high | 95.6 | Very high | 5 Ų | 5 | 14 Ų | 14 | 2% | 0.019 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -72.4 | -39.7 | 178.4 | -67.5 | -179.5 | -59.3 | -105.9 | 12.1 | 111.8 | P63 E64 A369 R370 F371 D376 D412 F415 | P63-R373 WeakPolarHBondContact CG-O 3.23Å; E64-R373 HydrophobicContact CG-CB 4.33Å; E64-R373 WeakPolarHBondContact OE1-CD 3.27Å; E64-R373 IonicContact OE1-CZ 3.02Å; E64-R373 IonicContact OE1-NE 2.86Å; E64-R373 PolarHBondContact OE1-NE 3.11Å; E64-R373 IonicContact OE1-NH2 3.91Å; A369-R373 VanDerWaalsContact C-CZ 3.47Å; A369-R373 VanDerWaalsContact C-NH1 3.33Å; A369-R373 VanDerWaalsContact CB-NH1 3.31Å; A369-R373 VanDerWaalsContact O-CG 3.32Å; A369-R373 WeakPolarHBondContact O-CG 3.47Å; A369-R373 VanDerWaalsContact O-CZ 3.28Å; A369-R373 PolarHBondContact O-N 2.87Å; A369-R373 PolarHBondContact O-NE 2.99Å; A369-R373 PolarHBondContact O-NH1 2.63Å; R370-R373 WeakPolarHBondContact O-CA 3.48Å; R370-R373 WeakPolarHBondContact O-CB 3.28Å; R370-R373 PolarHBondContact O-N 3.3Å; F371-R373 PolarHBondContact O-N 3.15Å; R373-D376 PolarHBondContact O-N 3.44Å; R373-D412 IonicContact CZ-OD2 3.64Å; R373-D412 PolarHBondContact NH1-O 3.45Å; R373-D412 VanDerWaalsContact NH1-O 3.11Å; R373-D412 IonicContact NH1-OD2 2.81Å; R373-D412 IonicContact NH2-OD2 3.78Å; R373-D412 PolarHBondContact NH2-OD2 2.96Å; R373-F415 WeakPolarHBondContact CD-O 3.19Å |
| 374 | E | 93 | Very high | 95.8 | Very high | 18 Ų | 18 | 12.8 Ų | 12.8 | 8% | 0.084 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -73.1 | -46.7 | -177.8 | -170.4 | 176.1 | 160.1 | 0 | 0 | 113.6 | A68 S69 R370 F371 D376 | A68-E374 VanDerWaalsContact CA-OE1 3.28Å; A68-E374 WeakPolarHBondContact CA-OE1 3.41Å; A68-E374 HydrophobicContact CB-CG 4.1Å; S69-E374 WeakPolarHBondContact CB-OE1 3.27Å; S69-E374 PolarHBondContact N-OE1 2.83Å; R370-E374 WeakPolarHBondContact O-CB 3.19Å; R370-E374 PolarHBondContact O-N 2.67Å; F371-E374 PolarHBondContact O-N 3.22Å; E374-D376 PolarHBondContact O-N 3.4Å |
| 375 | V | 95.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -61.4 | -29.8 | 172.9 | 168.8 | 0 | 0 | 0 | 0 | 111.4 | W72 R298 V328 I338 F371 P377 | W72-V375 HydrophobicContact CB-CG2 4.02Å; W72-V375 HydrophobicContact CG-CG2 4.4Å; R298-V375 VanDerWaalsContact CD-O 3.29Å; R298-V375 WeakPolarHBondContact CD-O 3.2Å; R298-V375 PolarHBondContact NH1-O 3.07Å; V328-V375 HydrophobicContact CB-CG1 4.46Å; V328-V375 HydrophobicContact CG1-CG1 3.82Å; V328-V375 HydrophobicContact CG2-CG1 3.9Å; I338-V375 HydrophobicContact CD1-CG1 4.27Å; I338-V375 HydrophobicContact CD1-CG2 3.68Å; F371-V375 HydrophobicContact CD2-CG2 3.67Å; F371-V375 HydrophobicContact CE1-CG2 4.23Å; F371-V375 HydrophobicContact CE2-CG2 3.24Å; F371-V375 HydrophobicContact CG-CG2 4.33Å; F371-V375 HydrophobicContact CZ-CG2 3.57Å; F371-V375 WeakPolarHBondContact O-CB 3.41Å; F371-V375 WeakPolarHBondContact O-CG2 3.3Å; F371-V375 PolarHBondContact O-N 3.09Å; V375-P377 HydrophobicContact CG1-CB 4.49Å |
| 376 | D | 96.5 | Very high | 95.8 | Very high | 5 Ų | 5 | 13.4 Ų | 13.4 | 3% | 0.027 | 6% | 0.062 | C | C | . | . | trans | 48.6 | 59.3 | -177.2 | -176 | 38.6 | 0 | 0 | 0 | 113.5 | R74 S123 V372 R373 E374 R418 R449 | R74-D376 IonicContact CZ-OD2 2.59Å; R74-D376 PolarHBondContact NE-O 3.16Å; R74-D376 IonicContact NE-OD2 3.34Å; R74-D376 PolarHBondContact NE-OD2 3.11Å; R74-D376 PolarHBondContact NH2-O 3.48Å; R74-D376 IonicContact NH2-OD2 2.75Å; S123-D376 WeakPolarHBondContact CB-OD2 3.27Å; S123-D376 PolarHBondContact OG-OD2 2.78Å; V372-D376 PolarHBondContact O-N 2.79Å; R373-D376 PolarHBondContact O-N 3.44Å; E374-D376 PolarHBondContact O-N 3.4Å; D376-R418 PolarHBondContact O-NH2 2.79Å; D376-R418 IonicContact OD1-CZ 2.72Å; D376-R418 IonicContact OD1-NE 3.7Å; D376-R418 PolarHBondContact OD1-NE 3.28Å; D376-R418 IonicContact OD1-NH2 3.56Å; D376-R418 PolarHBondContact OD1-NH2 2.65Å; D376-R418 IonicContact OD2-CZ 3.14Å; D376-R418 IonicContact OD2-NE 3.7Å; D376-R418 IonicContact OD2-NH2 2.68Å; D376-R418 PolarHBondContact OD2-NH2 3.17Å; D376-R449 IonicContact OD1-CZ 3.92Å; D376-R449 IonicContact OD1-NH1 2.86Å; D376-R449 PolarHBondContact OD1-NH1 2.95Å; D376-R449 IonicContact OD1-NH2 3.83Å; D376-R449 PolarHBondContact OD1-NH2 3.12Å | ||
| 377 | P | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 6% | 0.063 | C | C | . | . | trans | -67.7 | 143.4 | -178.9 | 30.1 | -35.6 | 0 | 0 | 0 | 112.8 | L300 V372 V375 L380 R449 | L300-P377 HydrophobicContact CB-CB 3.54Å; L300-P377 HydrophobicContact CB-CG 3.9Å; L300-P377 HydrophobicContact CD2-CG 3.94Å; V372-P377 HydrophobicContact CG1-CG 4.39Å; V372-P377 WeakPolarHBondContact O-CD 3.38Å; V375-P377 HydrophobicContact CG1-CB 4.49Å; P377-L380 HydrophobicContact CB-CD2 4.21Å; P377-L380 HydrophobicContact CG-CD2 3.62Å; P377-R449 VanDerWaalsContact CD-NH1 3.34Å; P377-R449 VanDerWaalsContact N-NH1 3.19Å; P377-R449 WeakPolarHBondContact O-CD 3.32Å; P377-R449 WeakPolarHBondContact O-CG 3.48Å; P377-R449 PolarHBondContact O-NH1 3.25Å | ||
| 378 | D | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 6% | 0.06 | C | C | . | . | S | Bend | trans | -83.2 | -41.2 | 176.2 | -63.3 | -58.9 | 0 | 0 | 0 | 111.8 | R74 M90 V117 F297 R298 R418 R449 V450 | R74-D378 IonicContact CZ-OD2 3.81Å; R74-D378 IonicContact NH1-OD2 2.84Å; R74-D378 IonicContact NH2-OD1 2.68Å; R74-D378 PolarHBondContact NH2-OD1 2.82Å; R74-D378 VanDerWaalsContact NH2-OD1 3.14Å; R74-D378 IonicContact NH2-OD2 3.92Å; R74-D378 PolarHBondContact NH2-OD2 3.25Å; M90-D378 HydrophobicContact CE-CB 4.08Å; M90-D378 WeakPolarHBondContact CE-O 3.2Å; M90-D378 HydrophobicContact SD-CB 3.65Å; V117-D378 VanDerWaalsContact CG2-CG 3.49Å; V117-D378 WeakPolarHBondContact CG2-OD1 3.47Å; V117-D378 WeakPolarHBondContact CG2-OD2 3.26Å; F297-D378 WeakPolarHBondContact CA-OD2 3.23Å; F297-D378 HydrophobicContact CB-CB 4.08Å; F297-D378 HydrophobicContact CD1-CB 4.12Å; F297-D378 HydrophobicContact CG-CB 4.49Å; R298-D378 PolarHBondContact N-OD2 2.9Å; R298-D378 PolarHBondContact O-N 3.34Å; D378-R418 IonicContact OD1-CZ 3.56Å; D378-R418 IonicContact OD1-NH1 3.55Å; D378-R418 PolarHBondContact OD1-NH1 3.11Å; D378-R418 IonicContact OD1-NH2 3.74Å; D378-R418 PolarHBondContact OD1-NH2 3.46Å; D378-R449 WeakPolarHBondContact O-CA 3.36Å; D378-V450 PolarHBondContact O-N 2.9Å |
| 379 | L | 97.9 | Very high | 95.8 | Very high | 1 Ų | 1 | 13.2 Ų | 13.2 | 1% | 0.005 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 130.7 | 178.9 | -70.4 | 156.6 | 0 | 0 | 0 | 109.1 | M90 F297 R298 I299 L300 V450 F452 V524 L538 | M90-L379 HydrophobicContact CE-CD2 4.07Å; M90-L379 HydrophobicContact CE-CG 4.06Å; F297-L379 HydrophobicContact CB-CD1 4.37Å; R298-L379 PolarHBondContact O-N 3.4Å; R298-L379 VanDerWaalsContact O-N 3.08Å; I299-L379 HydrophobicContact CB-CB 4.4Å; I299-L379 HydrophobicContact CD1-CD1 4.09Å; I299-L379 HydrophobicContact CG1-CB 4.19Å; I299-L379 HydrophobicContact CG1-CD1 3.84Å; I299-L379 HydrophobicContact CG2-CB 4.14Å; L300-L379 PolarHBondContact N-O 3.39Å; L379-V450 CarbonylContact C-O 3.56Å; L379-V450 VanDerWaalsContact CA-O 3.32Å; L379-V450 WeakPolarHBondContact CA-O 3.41Å; L379-V450 HydrophobicContact CD2-CB 3.72Å; L379-V450 HydrophobicContact CD2-CG1 3.79Å; L379-F452 HydrophobicContact CD2-CB 3.85Å; L379-F452 HydrophobicContact CD2-CD2 4.04Å; L379-F452 HydrophobicContact CD2-CG 4.22Å; L379-V524 HydrophobicContact CD1-CG1 3.93Å; L379-L538 HydrophobicContact CD2-CD2 3.9Å |
| 380 | L | 98.3 | Very high | 95.9 | Very high | 4 Ų | 4 | 13.3 Ų | 13.3 | 2% | 0.021 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 118.6 | 169.1 | -61.3 | 178.6 | 0 | 0 | 0 | 108 | L300 P377 I385 I446 R449 V450 Q451 F452 | L300-L380 HydrophobicContact CB-CD2 4.18Å; L300-L380 HydrophobicContact CD2-CD2 3.88Å; L300-L380 HydrophobicContact CG-CD2 4.33Å; P377-L380 HydrophobicContact CB-CD2 4.21Å; P377-L380 HydrophobicContact CG-CD2 3.62Å; L380-I385 HydrophobicContact CB-CD1 4.33Å; L380-I446 HydrophobicContact CD1-CD1 3.65Å; L380-I446 HydrophobicContact CD1-CG2 4.07Å; L380-R449 HydrophobicContact CD1-CB 4.4Å; L380-R449 HydrophobicContact CG-CB 4.39Å; L380-V450 PolarHBondContact N-O 3.48Å; L380-Q451 HydrophobicContact CB-CG 4.48Å; L380-Q451 HydrophobicContact CD1-CG 4.46Å; L380-Q451 CarbonylContact O-C 3.56Å; L380-Q451 WeakPolarHBondContact O-CA 3.43Å; L380-F452 PolarHBondContact O-N 3.46Å |
| 381 | T | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 5% | 0.046 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 177.7 | 179.5 | -169.4 | 0 | 0 | 0 | 0 | 110.7 | I299 L300 S301 F302 F452 L515 L518 | I299-T381 HydrophobicContact CG2-CG2 3.54Å; L300-T381 PolarHBondContact O-N 3.16Å; S301-T381 WeakPolarHBondContact CA-O 3.36Å; F302-T381 WeakPolarHBondContact CD1-O 3.31Å; F302-T381 PolarHBondContact N-O 3.47Å; F302-T381 VanDerWaalsContact N-O 3.15Å; T381-F452 WeakPolarHBondContact CB-O 3.48Å; T381-F452 PolarHBondContact OG1-O 3.06Å; T381-L515 HydrophobicContact CG2-CD2 4.08Å; T381-L518 HydrophobicContact CG2-CD1 3.92Å; T381-L518 WeakPolarHBondContact OG1-CD1 3.46Å |
| 382 | G | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.048 | C | C | . | . | S | Bend | trans | 152.1 | -162.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | L454 | G382-L454 WeakPolarHBondContact O-CB 3.03Å; G382-L454 PolarHBondContact O-N 3.06Å |
| 383 | Y | 97 | Very high | 96.2 | Very high | 24 Ų | 24 | 10 Ų | 10 | 9% | 0.094 | 5% | 0.048 | C | C | . | . | S | Bend | trans | -116.2 | 106.7 | 177.6 | -155.2 | -96.2 | 0 | 0 | 0 | 110.8 | I385 L454 L455 L458 Y467 L469 V472 | Y383-I385 VanDerWaalsContact C-N 3.31Å; Y383-L454 HydrophobicContact CD2-CB 4.37Å; Y383-L454 HydrophobicContact CD2-CD2 4.04Å; Y383-L454 HydrophobicContact CD2-CG 4.28Å; Y383-L454 HydrophobicContact CE2-CD2 4.28Å; Y383-L454 HydrophobicContact CE2-CG 4.37Å; Y383-L455 HydrophobicContact CE1-CB 4.5Å; Y383-L455 HydrophobicContact CE1-CD1 4.1Å; Y383-L455 HydrophobicContact CE2-CB 4.5Å; Y383-L458 HydrophobicContact CE2-CD1 3.97Å; Y383-Y467 WeakPolarHBondContact CE1-O 3.44Å; Y383-Y467 PolarHBondContact OH-O 2.81Å; Y383-L469 HydrophobicContact CD1-CB 3.9Å; Y383-L469 HydrophobicContact CD2-CB 4.34Å; Y383-L469 HydrophobicContact CD2-CD1 3.65Å; Y383-L469 HydrophobicContact CD2-CG 4.47Å; Y383-L469 HydrophobicContact CE1-CB 4.02Å; Y383-L469 HydrophobicContact CE2-CB 4.44Å; Y383-L469 HydrophobicContact CE2-CD1 3.96Å; Y383-L469 HydrophobicContact CG-CB 4.06Å; Y383-L469 HydrophobicContact CG-CD1 4.02Å; Y383-L469 HydrophobicContact CG-CD2 4.43Å; Y383-L469 HydrophobicContact CG-CG 4.39Å; Y383-V472 HydrophobicContact CE2-CG2 3.83Å |
| 384 | N | 94.5 | Very high | 96.2 | Very high | 49 Ų | 49 | 10.4 Ų | 10.4 | 26% | 0.262 | 5% | 0.05 | S | C | . | . | S | Bend | trans | 72.2 | 16.4 | -177.2 | -160.4 | 42.3 | 0 | 0 | 0 | 115.6 | Q386 N387 F388 D453 L455 | N384-Q386 PolarHBondContact O-N 3.47Å; N384-N387 PolarHBondContact O-N 3.24Å; N384-N387 VanDerWaalsContact O-N 3.12Å; N384-N387 WeakPolarHBondContact OD1-CB 3.23Å; N384-F388 PolarHBondContact O-N 3.45Å; N384-D453 WeakPolarHBondContact CA-OD2 3.41Å; N384-D453 PolarHBondContact N-OD1 2.93Å; N384-L455 HydrophobicContact CB-CD2 3.66Å; N384-L455 WeakPolarHBondContact OD1-CD2 3.37Å |
| 385 | I | 97.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -30.8 | 178.8 | 59.7 | 155.5 | 0 | 0 | 0 | 113.9 | F302 L380 Y383 D389 L390 P391 D453 | F302-I385 HydrophobicContact CD1-CG2 4.32Å; F302-I385 HydrophobicContact CE1-CB 4.11Å; F302-I385 HydrophobicContact CE1-CD1 3.85Å; F302-I385 HydrophobicContact CE1-CG2 3.85Å; F302-I385 HydrophobicContact CE2-CG2 4.28Å; F302-I385 HydrophobicContact CZ-CB 3.97Å; F302-I385 HydrophobicContact CZ-CD1 4.46Å; F302-I385 HydrophobicContact CZ-CG2 3.83Å; L380-I385 HydrophobicContact CB-CD1 4.33Å; Y383-I385 VanDerWaalsContact C-N 3.31Å; I385-D389 VanDerWaalsContact CA-OD2 3.26Å; I385-D389 WeakPolarHBondContact CA-OD2 3.47Å; I385-D389 HydrophobicContact CB-CB 4.17Å; I385-D389 HydrophobicContact CG2-CB 4.05Å; I385-D389 PolarHBondContact N-OD2 3.49Å; I385-D389 PolarHBondContact O-N 3.39Å; I385-L390 HydrophobicContact CD1-CD1 4.4Å; I385-L390 WeakPolarHBondContact O-CB 3.39Å; I385-L390 PolarHBondContact O-N 2.96Å; I385-P391 WeakPolarHBondContact O-CD 3.2Å; I385-D453 HydrophobicContact CG1-CB 3.96Å; I385-D453 PolarHBondContact N-OD2 3.27Å; I385-D453 VanDerWaalsContact N-OD2 3.13Å |
| 386 | Q | 93.7 | Very high | 96.2 | Very high | 13 Ų | 13 | 14.2 Ų | 14.2 | 6% | 0.061 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -31.8 | -174.7 | -166 | -174.4 | -48.8 | 0 | 0 | 111.7 | N384 P391 K442 D453 | N384-Q386 PolarHBondContact O-N 3.47Å; Q386-P391 WeakPolarHBondContact O-CD 3.48Å; Q386-P391 VanDerWaalsContact O-CG 3.29Å; Q386-P391 WeakPolarHBondContact O-CG 3.34Å; Q386-K442 VanDerWaalsContact CG-O 3.29Å; Q386-K442 WeakPolarHBondContact CG-O 3.42Å; Q386-K442 PolarHBondContact NE2-O 3.23Å; Q386-K442 WeakPolarHBondContact O-CB 3.19Å; Q386-D453 HydrophobicContact CB-CB 4.1Å; Q386-D453 VanDerWaalsContact CB-OD2 3.32Å; Q386-D453 WeakPolarHBondContact CB-OD2 3.47Å; Q386-D453 PolarHBondContact N-OD2 2.73Å |
| 387 | N | 91.4 | Very high | 96 | Very high | 30 Ų | 30 | 14.2 Ų | 14.2 | 16% | 0.16 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | -20.9 | -176.6 | -67.9 | -38.8 | 0 | 0 | 0 | 113.5 | N384 N441 K442 Q456 | N384-N387 PolarHBondContact O-N 3.24Å; N384-N387 VanDerWaalsContact O-N 3.12Å; N384-N387 WeakPolarHBondContact OD1-CB 3.23Å; N387-N441 WeakPolarHBondContact OD1-CA 3.41Å; N387-K442 WeakPolarHBondContact O-CD 3.5Å; N387-K442 PolarHBondContact O-NZ 3.07Å; N387-K442 VanDerWaalsContact O-NZ 3.07Å; N387-K442 PolarHBondContact OD1-N 3.25Å; N387-Q456 PolarHBondContact ND2-NE2 2.98Å; N387-Q456 VanDerWaalsContact ND2-NE2 3.17Å |
| 388 | F | 93.7 | Very high | 95.7 | Very high | 45 Ų | 45 | 20.8 Ų | 20.8 | 20% | 0.197 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.8 | -76.1 | -179.8 | -174.4 | -116 | 0 | 0 | 0 | 112.1 | I304 F313 N384 L390 P391 Y392 | I304-F388 HydrophobicContact CD1-CE1 4.34Å; I304-F388 HydrophobicContact CG1-CE1 4.18Å; F313-F388 AromaticContact CE1-CD2 3.98Å; F313-F388 HydrophobicContact CE1-CD2 3.98Å; F313-F388 AromaticContact CE1-CE2 3.36Å; F313-F388 HydrophobicContact CE1-CE2 3.36Å; F313-F388 AromaticContact CE1-CZ 3.99Å; F313-F388 HydrophobicContact CE1-CZ 3.99Å; F313-F388 HydrophobicContact CZ-CD2 4.05Å; F313-F388 HydrophobicContact CZ-CE1 4.47Å; F313-F388 AromaticContact CZ-CE2 3.47Å; F313-F388 HydrophobicContact CZ-CE2 3.47Å; F313-F388 VanDerWaalsContact CZ-CE2 3.47Å; F313-F388 AromaticContact CZ-CZ 3.71Å; F313-F388 HydrophobicContact CZ-CZ 3.71Å; N384-F388 PolarHBondContact O-N 3.45Å; F388-L390 PolarHBondContact O-N 3.46Å; F388-P391 VanDerWaalsContact O-CD 3.26Å; F388-P391 WeakPolarHBondContact O-CD 3.46Å; F388-Y392 HydrophobicContact CD2-CD2 4.43Å; F388-Y392 AromaticContact CE2-CD2 3.65Å; F388-Y392 HydrophobicContact CE2-CD2 3.65Å; F388-Y392 HydrophobicContact CE2-CE2 4.23Å; F388-Y392 HydrophobicContact CE2-CG 4.41Å; F388-Y392 AromaticContact CZ-CD2 3.99Å; F388-Y392 HydrophobicContact CZ-CD2 3.99Å; F388-Y392 HydrophobicContact CZ-CE2 4.41Å; F388-Y392 VanDerWaalsContact O-CB 3.23Å; F388-Y392 WeakPolarHBondContact O-CB 3.33Å; F388-Y392 PolarHBondContact O-N 2.87Å |
| 389 | D | 97.3 | Very high | 95.3 | Very high | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.011 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.1 | -54.3 | -163.5 | -50.7 | -113.2 | 0 | 0 | 0 | 113.5 | F302 I304 I385 Y392 L393 | F302-D389 HydrophobicContact CE2-CB 3.75Å; F302-D389 HydrophobicContact CZ-CB 4.17Å; I304-D389 HydrophobicContact CD1-CB 4.2Å; I304-D389 HydrophobicContact CG1-CB 4.29Å; I304-D389 WeakPolarHBondContact CG1-OD1 3.42Å; I304-D389 HydrophobicContact CG2-CB 4.25Å; I304-D389 PolarHBondContact N-OD1 2.89Å; I385-D389 VanDerWaalsContact CA-OD2 3.26Å; I385-D389 WeakPolarHBondContact CA-OD2 3.47Å; I385-D389 HydrophobicContact CB-CB 4.17Å; I385-D389 HydrophobicContact CG2-CB 4.05Å; I385-D389 PolarHBondContact N-OD2 3.49Å; I385-D389 PolarHBondContact O-N 3.39Å; D389-Y392 PolarHBondContact O-N 3.08Å; D389-L393 WeakPolarHBondContact O-CB 3.36Å; D389-L393 VanDerWaalsContact O-CG 3.24Å; D389-L393 WeakPolarHBondContact O-CG 3.37Å; D389-L393 PolarHBondContact O-N 3.43Å |
| 390 | L | 97.2 | Very high | 94.9 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60 | -52.9 | 178.3 | -72.4 | 172.6 | 0 | 0 | 0 | 111.2 | F302 W368 I385 F388 Y392 L393 I394 L416 I446 Q451 | F302-L390 HydrophobicContact CE1-CD2 4.27Å; F302-L390 HydrophobicContact CE1-CG 4.47Å; F302-L390 HydrophobicContact CZ-CD2 3.66Å; F302-L390 HydrophobicContact CZ-CG 3.83Å; W368-L390 HydrophobicContact CH2-CD2 4.43Å; I385-L390 HydrophobicContact CD1-CD1 4.4Å; I385-L390 WeakPolarHBondContact O-CB 3.39Å; I385-L390 PolarHBondContact O-N 2.96Å; F388-L390 PolarHBondContact O-N 3.46Å; L390-Y392 VanDerWaalsContact C-N 3.32Å; L390-Y392 PolarHBondContact O-N 3.16Å; L390-L393 PolarHBondContact O-N 3Å; L390-I394 WeakPolarHBondContact O-CB 3.35Å; L390-I394 VanDerWaalsContact O-CD1 3.3Å; L390-I394 WeakPolarHBondContact O-CD1 3.38Å; L390-I394 WeakPolarHBondContact O-CG1 3.44Å; L390-I394 PolarHBondContact O-N 3.21Å; L390-L416 HydrophobicContact CD2-CD1 4.46Å; L390-I446 HydrophobicContact CD1-CD1 3.86Å; L390-I446 HydrophobicContact CD2-CD1 4.04Å; L390-Q451 HydrophobicContact CD1-CG 3.99Å |
| 391 | P | 95.9 | Very high | 94 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -54.9 | -44 | 174.1 | -28 | 33.9 | 0 | 0 | 0 | 114.3 | I385 Q386 F388 I394 D395 V426 K442 | I385-P391 WeakPolarHBondContact O-CD 3.2Å; Q386-P391 WeakPolarHBondContact O-CD 3.48Å; Q386-P391 VanDerWaalsContact O-CG 3.29Å; Q386-P391 WeakPolarHBondContact O-CG 3.34Å; F388-P391 VanDerWaalsContact O-CD 3.26Å; F388-P391 WeakPolarHBondContact O-CD 3.46Å; P391-I394 PolarHBondContact O-N 3.33Å; P391-D395 VanDerWaalsContact O-CB 3.31Å; P391-D395 WeakPolarHBondContact O-CB 3.23Å; P391-D395 VanDerWaalsContact O-CG 3.23Å; P391-D395 PolarHBondContact O-N 3.06Å; P391-V426 HydrophobicContact CB-CG1 4.09Å; P391-V426 HydrophobicContact CB-CG2 4.1Å; P391-V426 HydrophobicContact CG-CG1 4.13Å; P391-K442 HydrophobicContact CB-CD 3.72Å; P391-K442 HydrophobicContact CG-CB 3.96Å; P391-K442 HydrophobicContact CG-CD 3.46Å; P391-K442 VanDerWaalsContact CG-CD 3.46Å; P391-K442 HydrophobicContact CG-CG 4.37Å |
| 392 | Y | 96.6 | Very high | 92.3 | Very high | 12 Ų | 12 | 32.5 Ų | 32.5 | 5% | 0.047 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.6 | -49 | -177.4 | -165 | -77 | 0 | 0 | 0 | 110.9 | I304 C306 P314 E315 A316 D319 V321 F388 D389 L390 I394 D395 R396 | I304-Y392 HydrophobicContact CD1-CD1 3.96Å; I304-Y392 HydrophobicContact CD1-CG 4.09Å; C306-Y392 HydrophobicContact CB-CE1 4.35Å; C306-Y392 WeakPolarHBondContact SG-CE1 3.43Å; P314-Y392 HydrophobicContact CB-CE2 3.83Å; P314-Y392 WeakPolarHBondContact CB-OH 3.37Å; E315-Y392 PolarHBondContact O-OH 3.27Å; A316-Y392 HydrophobicContact CB-CD1 4.12Å; A316-Y392 HydrophobicContact CB-CD2 4.03Å; A316-Y392 HydrophobicContact CB-CE1 4.07Å; A316-Y392 HydrophobicContact CB-CE2 4Å; A316-Y392 HydrophobicContact CB-CG 4.09Å; D319-Y392 PolarHBondContact O-OH 3.11Å; V321-Y392 HydrophobicContact CG2-CD1 3.77Å; V321-Y392 HydrophobicContact CG2-CE1 3.65Å; F388-Y392 HydrophobicContact CD2-CD2 4.43Å; F388-Y392 AromaticContact CE2-CD2 3.65Å; F388-Y392 HydrophobicContact CE2-CD2 3.65Å; F388-Y392 HydrophobicContact CE2-CE2 4.23Å; F388-Y392 HydrophobicContact CE2-CG 4.41Å; F388-Y392 AromaticContact CZ-CD2 3.99Å; F388-Y392 HydrophobicContact CZ-CD2 3.99Å; F388-Y392 HydrophobicContact CZ-CE2 4.41Å; F388-Y392 VanDerWaalsContact O-CB 3.23Å; F388-Y392 WeakPolarHBondContact O-CB 3.33Å; F388-Y392 PolarHBondContact O-N 2.87Å; D389-Y392 PolarHBondContact O-N 3.08Å; L390-Y392 VanDerWaalsContact C-N 3.32Å; L390-Y392 PolarHBondContact O-N 3.16Å; Y392-I394 PolarHBondContact O-N 2.67Å; Y392-D395 PolarHBondContact O-N 3.29Å; Y392-R396 HydrophobicContact CD1-CB 4.41Å; Y392-R396 HydrophobicContact CE1-CB 4.44Å; Y392-R396 WeakPolarHBondContact O-CB 3.48Å; Y392-R396 PolarHBondContact O-N 2.76Å |
| 393 | L | 97.4 | Very high | 90.6 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.6 | -44.3 | 178 | -71.3 | 171 | 0 | 0 | 0 | 112.1 | F302 I304 V321 I324 L365 W368 D389 L390 R396 A397 F413 | F302-L393 HydrophobicContact CE2-CD1 3.94Å; I304-L393 HydrophobicContact CD1-CD2 4.39Å; I304-L393 HydrophobicContact CD1-CG 4.15Å; I304-L393 HydrophobicContact CG2-CD1 3.94Å; I304-L393 HydrophobicContact CG2-CD2 4.15Å; I304-L393 HydrophobicContact CG2-CG 4.15Å; V321-L393 HydrophobicContact CG1-CD2 4.11Å; V321-L393 HydrophobicContact CG2-CD2 4.07Å; I324-L393 HydrophobicContact CD1-CD2 3.7Å; I324-L393 HydrophobicContact CG1-CD2 4.32Å; L365-L393 HydrophobicContact CD2-CD2 3.59Å; W368-L393 HydrophobicContact CE3-CD1 4.2Å; W368-L393 HydrophobicContact CH2-CD1 3.65Å; W368-L393 HydrophobicContact CZ2-CD1 4.18Å; W368-L393 HydrophobicContact CZ3-CD1 3.69Å; D389-L393 WeakPolarHBondContact O-CB 3.36Å; D389-L393 VanDerWaalsContact O-CG 3.24Å; D389-L393 WeakPolarHBondContact O-CG 3.37Å; D389-L393 PolarHBondContact O-N 3.43Å; L390-L393 PolarHBondContact O-N 3Å; L393-R396 PolarHBondContact O-N 2.61Å; L393-A397 WeakPolarHBondContact O-CB 3.46Å; L393-A397 PolarHBondContact O-N 3Å; L393-F413 HydrophobicContact CB-CE1 4.02Å; L393-F413 HydrophobicContact CB-CZ 3.64Å; L393-F413 HydrophobicContact CG-CZ 4.49Å; L393-F413 WeakPolarHBondContact O-CE1 3.38Å |
| 394 | I | 95.4 | Very high | 88.6 | Confident | 14 Ų | 14 | 42.8 Ų | 42.8 | 7% | 0.072 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.9 | -47.6 | 178.7 | -66.6 | 161.7 | 0 | 0 | 0 | 110.9 | L390 P391 Y392 R396 H398 F413 L416 T424 V426 C444 | L390-I394 WeakPolarHBondContact O-CB 3.35Å; L390-I394 VanDerWaalsContact O-CD1 3.3Å; L390-I394 WeakPolarHBondContact O-CD1 3.38Å; L390-I394 WeakPolarHBondContact O-CG1 3.44Å; L390-I394 PolarHBondContact O-N 3.21Å; P391-I394 PolarHBondContact O-N 3.33Å; Y392-I394 PolarHBondContact O-N 2.67Å; I394-R396 VanDerWaalsContact C-N 3.35Å; I394-H398 WeakPolarHBondContact O-CB 3.29Å; I394-H398 PolarHBondContact O-N 3.17Å; I394-F413 HydrophobicContact CG1-CE1 4.24Å; I394-L416 HydrophobicContact CG1-CD1 4.49Å; I394-T424 HydrophobicContact CD1-CG2 3.55Å; I394-T424 HydrophobicContact CG1-CG2 4.48Å; I394-V426 HydrophobicContact CB-CG2 4.17Å; I394-V426 HydrophobicContact CD1-CG2 3.88Å; I394-V426 HydrophobicContact CG2-CG2 4.08Å; I394-C444 HydrophobicContact CD1-CB 4.41Å |
| 395 | D | 94.5 | Very high | 86.8 | Confident | 80 Ų | 80 | 47.9 Ų | 47.9 | 43% | 0.428 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -67.5 | -37 | -179.5 | -70.9 | -19.1 | 0 | 0 | 0 | 111.2 | A316 P391 Y392 H398 H399 | A316-D395 HydrophobicContact CB-CB 3.83Å; P391-D395 VanDerWaalsContact O-CB 3.31Å; P391-D395 WeakPolarHBondContact O-CB 3.23Å; P391-D395 VanDerWaalsContact O-CG 3.23Å; P391-D395 PolarHBondContact O-N 3.06Å; Y392-D395 PolarHBondContact O-N 3.29Å; D395-H398 PolarHBondContact O-N 2.94Å; D395-H399 WeakPolarHBondContact O-CB 3.3Å; D395-H399 PolarHBondContact O-N 2.88Å |
| 396 | R | 94.3 | Very high | 84.7 | Confident | 17 Ų | 17 | 51.5 Ų | 51.5 | 6% | 0.064 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.2 | -48.8 | 177.1 | -177.3 | 62.2 | -177 | 174.4 | -2.8 | 111.5 | A316 V321 E361 L365 Y392 L393 I394 H398 H399 L400 | A316-R396 HydrophobicContact CB-CB 4.22Å; A316-R396 WeakPolarHBondContact O-CD 3.26Å; A316-R396 PolarHBondContact O-NH1 2.95Å; V321-R396 HydrophobicContact CG2-CB 4.43Å; V321-R396 HydrophobicContact CG2-CG 4.11Å; E361-R396 VanDerWaalsContact CD-NE 3.27Å; E361-R396 WeakPolarHBondContact OE1-CD 3.45Å; E361-R396 VanDerWaalsContact OE1-CG 3.27Å; E361-R396 WeakPolarHBondContact OE1-CG 3.46Å; E361-R396 IonicContact OE1-CZ 3.62Å; E361-R396 IonicContact OE1-NE 2.68Å; E361-R396 PolarHBondContact OE1-NE 3.26Å; E361-R396 IonicContact OE1-NH2 3.87Å; E361-R396 IonicContact OE2-CZ 3.72Å; E361-R396 IonicContact OE2-NE 3.75Å; E361-R396 PolarHBondContact OE2-NE 2.97Å; E361-R396 VanDerWaalsContact OE2-NE 3.15Å; E361-R396 IonicContact OE2-NH2 2.83Å; E361-R396 PolarHBondContact OE2-NH2 3.33Å; L365-R396 HydrophobicContact CD1-CG 4.08Å; Y392-R396 HydrophobicContact CD1-CB 4.41Å; Y392-R396 HydrophobicContact CE1-CB 4.44Å; Y392-R396 WeakPolarHBondContact O-CB 3.48Å; Y392-R396 PolarHBondContact O-N 2.76Å; L393-R396 PolarHBondContact O-N 2.61Å; I394-R396 VanDerWaalsContact C-N 3.35Å; R396-H398 VanDerWaalsContact C-N 3.27Å; R396-H398 PolarHBondContact O-N 3.43Å; R396-H399 PolarHBondContact NH1-CD2 3.46Å; R396-H399 WeakPolarHBondContact O-CB 3.32Å; R396-H399 PolarHBondContact O-N 3.47Å; R396-H399 VanDerWaalsContact O-N 3.11Å; R396-L400 HydrophobicContact CG-CD1 4.38Å; R396-L400 HydrophobicContact CG-CG 4.48Å; R396-L400 WeakPolarHBondContact O-CG 3.26Å; R396-L400 PolarHBondContact O-N 2.76Å |
| 397 | A | 93.1 | Very high | 82.8 | Confident | 5 Ų | 5 | 60.1 Ų | 60.1 | 4% | 0.041 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.3 | -40.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L365 L393 K401 I410 F413 | L365-A397 HydrophobicContact CD1-CB 4.23Å; L393-A397 WeakPolarHBondContact O-CB 3.46Å; L393-A397 PolarHBondContact O-N 3Å; A397-K401 WeakPolarHBondContact O-CB 3.47Å; A397-K401 PolarHBondContact O-N 2.83Å; A397-I410 HydrophobicContact CB-CG2 4.31Å; A397-F413 HydrophobicContact CB-CB 3.73Å; A397-F413 HydrophobicContact CB-CD1 3.35Å; A397-F413 HydrophobicContact CB-CD2 4.1Å; A397-F413 HydrophobicContact CB-CE1 4.07Å; A397-F413 HydrophobicContact CB-CG 3.41Å; A397-F413 VanDerWaalsContact CB-CG 3.41Å |
| 398 | H | 90.5 | Very high | 81.1 | Confident | 138 Ų | 138 | 62.9 Ų | 62.9 | 64% | 0.639 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -63.5 | -42.8 | 174.1 | -178.2 | -88.4 | 0 | 0 | 0 | 112.3 | I394 D395 R396 A402 | I394-H398 WeakPolarHBondContact O-CB 3.29Å; I394-H398 PolarHBondContact O-N 3.17Å; D395-H398 PolarHBondContact O-N 2.94Å; R396-H398 VanDerWaalsContact C-N 3.27Å; R396-H398 PolarHBondContact O-N 3.43Å; H398-A402 PolarHBondContact O-N 3.15Å |
| 399 | H | 90.5 | Very high | 79.6 | Confident | 69 Ų | 69 | 64.8 Ų | 64.8 | 32% | 0.319 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.3 | -47 | 178.1 | 178.5 | 74.7 | 0 | 0 | 0 | 112.5 | N317 D395 R396 K401 A402 S403 | N317-H399 PolarHBondContact O-CE1 2.69Å; N317-H399 PolarHBondContact O-NE2 2.83Å; N317-H399 VanDerWaalsContact O-NE2 3.11Å; D395-H399 WeakPolarHBondContact O-CB 3.3Å; D395-H399 PolarHBondContact O-N 2.88Å; R396-H399 PolarHBondContact NH1-CD2 3.46Å; R396-H399 WeakPolarHBondContact O-CB 3.32Å; R396-H399 PolarHBondContact O-N 3.47Å; R396-H399 VanDerWaalsContact O-N 3.11Å; H399-K401 VanDerWaalsContact C-N 3.32Å; H399-K401 PolarHBondContact O-N 2.82Å; H399-A402 PolarHBondContact O-N 2.73Å; H399-A402 VanDerWaalsContact O-N 3.11Å; H399-S403 PolarHBondContact O-N 3.42Å |
| 400 | L | 88.2 | Confident | 78.6 | Confident | 5 Ų | 5 | 65 Ų | 65 | 3% | 0.026 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.8 | -38.6 | 179.5 | -69.2 | -176.7 | 0 | 0 | 0 | 112.3 | E361 L365 R396 A402 S403 H406 I410 | E361-L400 HydrophobicContact CB-CD1 4.28Å; E361-L400 HydrophobicContact CG-CD1 3.84Å; L365-L400 HydrophobicContact CD1-CD1 3.83Å; R396-L400 HydrophobicContact CG-CD1 4.38Å; R396-L400 HydrophobicContact CG-CG 4.48Å; R396-L400 WeakPolarHBondContact O-CG 3.26Å; R396-L400 PolarHBondContact O-N 2.76Å; L400-A402 VanDerWaalsContact C-N 3.29Å; L400-A402 PolarHBondContact O-N 2.93Å; L400-S403 PolarHBondContact O-N 3.29Å; L400-S403 PolarHBondContact O-OG 3.1Å; L400-H406 WeakPolarHBondContact CD2-NE2 3.2Å; L400-I410 HydrophobicContact CB-CD1 3.72Å; L400-I410 HydrophobicContact CD1-CD1 3.68Å; L400-I410 HydrophobicContact CG-CD1 4.37Å |
| 401 | K | 80.6 | Confident | 77.8 | Confident | 101 Ų | 101 | 68.5 Ų | 68.5 | 44% | 0.439 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.4 | -34.4 | 174.2 | -174.5 | -178.4 | -176.8 | 173.7 | 0 | 113 | A397 H399 S403 | A397-K401 WeakPolarHBondContact O-CB 3.47Å; A397-K401 PolarHBondContact O-N 2.83Å; H399-K401 VanDerWaalsContact C-N 3.32Å; H399-K401 PolarHBondContact O-N 2.82Å; K401-S403 VanDerWaalsContact C-N 3.31Å |
| 402 | A | 62.8 | Low | 77.4 | Confident | 76 Ų | 76 | 70.2 Ų | 70.2 | 63% | 0.628 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -78.7 | -15.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | H398 H399 L400 | H398-A402 PolarHBondContact O-N 3.15Å; H399-A402 PolarHBondContact O-N 2.73Å; H399-A402 VanDerWaalsContact O-N 3.11Å; L400-A402 VanDerWaalsContact C-N 3.29Å; L400-A402 PolarHBondContact O-N 2.93Å |
| 403 | S | 61.3 | Low | 77.2 | Confident | 36 Ų | 36 | 69.7 Ų | 69.7 | 25% | 0.252 | 38% | 0.377 | S | S | . | . | trans | -82.9 | 125.1 | 176.7 | 80.6 | 0 | 0 | 0 | 0 | 110.4 | H399 L400 K401 L405 | H399-S403 PolarHBondContact O-N 3.42Å; L400-S403 PolarHBondContact O-N 3.29Å; L400-S403 PolarHBondContact O-OG 3.1Å; K401-S403 VanDerWaalsContact C-N 3.31Å; S403-L405 PolarHBondContact O-N 3.33Å | ||
| 404 | E | 55 | Low | 77 | Confident | 204 Ų | 204 | 71.1 Ų | 71.1 | 95% | 0.953 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -0.8 | 176.5 | -65.8 | -178.8 | 169.4 | 0 | 0 | 113.4 | ||
| 405 | L | 56.2 | Low | 77 | Confident | 157 Ų | 157 | 72.4 Ų | 72.4 | 82% | 0.822 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -2.5 | -168.5 | -114 | 111 | 0 | 0 | 0 | 115 | S403 | S403-L405 PolarHBondContact O-N 3.33Š|
| 406 | H | 52.6 | Low | 77 | Confident | 76 Ų | 76 | 68.7 Ų | 68.7 | 35% | 0.352 | 37% | 0.371 | S | S | . | . | trans | -108.1 | 126.5 | -174.2 | -76.6 | 27.8 | 0 | 0 | 0 | 112 | L400 S408 | L400-H406 WeakPolarHBondContact CD2-NE2 3.2Å; H406-S408 PolarHBondContact O-N 2.74Å; H406-S408 VanDerWaalsContact O-N 3.07Å | ||
| 407 | L | 55.1 | Low | 77.1 | Confident | 193 Ų | 193 | 68 Ų | 68 | 100% | 1.01 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -64 | -9.6 | -176.3 | -75 | 156.3 | 0 | 0 | 0 | 114.4 | ||
| 408 | S | 54.3 | Low | 77.3 | Confident | 88 Ų | 88 | 67.7 Ų | 67.7 | 62% | 0.615 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -143.8 | 121.5 | 175.9 | -171.1 | 0 | 0 | 0 | 0 | 110.6 | H406 I410 | H406-S408 PolarHBondContact O-N 2.74Å; H406-S408 VanDerWaalsContact O-N 3.07Å; S408-I410 PolarHBondContact O-N 2.95Å |
| 409 | P | 63.1 | Low | 77.6 | Confident | 86 Ų | 86 | 61.8 Ų | 61.8 | 56% | 0.558 | 34% | 0.34 | S | S | * | . | trans | -71.8 | 124 | 178.1 | 26.5 | -31.1 | 0 | 0 | 0 | 111.2 | T411 | P409-T411 VanDerWaalsContact C-N 3.34Å; P409-T411 HydrophobicContact CB-CG2 4.22Å; P409-T411 PolarHBondContact O-N 3.47Å | ||
| 410 | I | 77.1 | Confident | 77.7 | Confident | 6 Ų | 6 | 60.2 Ų | 60.2 | 3% | 0.031 | 33% | 0.333 | C | S | . | . | trans | -72.9 | 86.4 | 174 | -52.2 | 170.4 | 0 | 0 | 0 | 108.8 | G362 L365 A397 L400 S408 F413 | G362-I410 VanDerWaalsContact CA-CD1 3.43Å; L365-I410 HydrophobicContact CD1-CD1 4.12Å; A397-I410 HydrophobicContact CB-CG2 4.31Å; L400-I410 HydrophobicContact CB-CD1 3.72Å; L400-I410 HydrophobicContact CD1-CD1 3.68Å; L400-I410 HydrophobicContact CG-CD1 4.37Å; S408-I410 PolarHBondContact O-N 2.95Å; I410-F413 HydrophobicContact CG2-CB 3.55Å; I410-F413 HydrophobicContact CG2-CG 4.47Å | ||
| 411 | T | 80.5 | Confident | 77.8 | Confident | 75 Ų | 75 | 67.1 Ų | 67.1 | 46% | 0.46 | 37% | 0.37 | S | S | . | . | trans | -94.3 | -22.3 | -178.1 | 48 | 0 | 0 | 0 | 0 | 113.9 | P409 F415 | P409-T411 VanDerWaalsContact C-N 3.34Å; P409-T411 HydrophobicContact CB-CG2 4.22Å; P409-T411 PolarHBondContact O-N 3.47Å; T411-F415 WeakPolarHBondContact O-CE2 3.43Å | ||
| 412 | D | 86.6 | Confident | 78.4 | Confident | 36 Ų | 36 | 65.4 Ų | 65.4 | 19% | 0.193 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -98 | -15.4 | -167.7 | 71.6 | -45.4 | 0 | 0 | 0 | 114 | S366 R373 P414 F415 | S366-D412 PolarHBondContact OG-OD1 3.27Å; R373-D412 IonicContact CZ-OD2 3.64Å; R373-D412 PolarHBondContact NH1-O 3.45Å; R373-D412 VanDerWaalsContact NH1-O 3.11Å; R373-D412 IonicContact NH1-OD2 2.81Å; R373-D412 IonicContact NH2-OD2 3.78Å; R373-D412 PolarHBondContact NH2-OD2 2.96Å; D412-P414 VanDerWaalsContact C-CD 3.48Å; D412-F415 PolarHBondContact O-N 3.15Å |
| 413 | F | 93.2 | Very high | 79.9 | Confident | 1 Ų | 1 | 67.7 Ų | 67.7 | 0% | 0.004 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -47.6 | -179.8 | -167.2 | -86.7 | 0 | 0 | 0 | 115.8 | L365 W368 A369 L393 I394 A397 I410 F415 L416 | L365-F413 HydrophobicContact CB-CD2 3.72Å; L365-F413 HydrophobicContact CB-CE2 3.88Å; L365-F413 HydrophobicContact CD2-CE2 3.94Å; L365-F413 HydrophobicContact CD2-CZ 4.49Å; L365-F413 HydrophobicContact CG-CE2 4.47Å; L365-F413 VanDerWaalsContact O-CD2 3.22Å; L365-F413 WeakPolarHBondContact O-CD2 2.91Å; L365-F413 WeakPolarHBondContact O-CE2 3.25Å; W368-F413 AromaticContact CE3-CE2 3.83Å; W368-F413 HydrophobicContact CE3-CE2 3.83Å; W368-F413 AromaticContact CE3-CZ 3.89Å; W368-F413 HydrophobicContact CE3-CZ 3.89Å; W368-F413 HydrophobicContact CZ3-CE2 4.22Å; W368-F413 AromaticContact CZ3-CZ 3.8Å; W368-F413 HydrophobicContact CZ3-CZ 3.8Å; A369-F413 HydrophobicContact CB-CD2 3.75Å; A369-F413 HydrophobicContact CB-CE2 4.09Å; A369-F413 HydrophobicContact CB-CG 4.36Å; L393-F413 HydrophobicContact CB-CE1 4.02Å; L393-F413 HydrophobicContact CB-CZ 3.64Å; L393-F413 HydrophobicContact CG-CZ 4.49Å; L393-F413 WeakPolarHBondContact O-CE1 3.38Å; I394-F413 HydrophobicContact CG1-CE1 4.24Å; A397-F413 HydrophobicContact CB-CB 3.73Å; A397-F413 HydrophobicContact CB-CD1 3.35Å; A397-F413 HydrophobicContact CB-CD2 4.1Å; A397-F413 HydrophobicContact CB-CE1 4.07Å; A397-F413 HydrophobicContact CB-CG 3.41Å; A397-F413 VanDerWaalsContact CB-CG 3.41Å; I410-F413 HydrophobicContact CG2-CB 3.55Å; I410-F413 HydrophobicContact CG2-CG 4.47Å; F413-F415 PolarHBondContact O-N 3.47Å; F413-L416 HydrophobicContact CE1-CD1 4.35Å; F413-L416 WeakPolarHBondContact O-CD2 3.49Å |
| 414 | P | 92.2 | Very high | 81.5 | Confident | 30 Ų | 30 | 66.3 Ų | 66.3 | 20% | 0.195 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | 7.7 | -170.5 | 31.1 | -36.4 | 0 | 0 | 0 | 113.7 | D412 K423 T424 | D412-P414 VanDerWaalsContact C-CD 3.48Å; P414-K423 HydrophobicContact CB-CB 4.41Å; P414-K423 HydrophobicContact CB-CG 4.43Å; P414-K423 HydrophobicContact CG-CG 4.34Å; P414-K423 CarbonylContact O-C 3.52Å; P414-K423 WeakPolarHBondContact O-CA 3.46Å; P414-T424 WeakPolarHBondContact O-CB 3.3Å; P414-T424 PolarHBondContact O-N 2.99Å; P414-T424 PolarHBondContact O-OG1 3.43Å |
| 415 | F | 94.9 | Very high | 83.4 | Confident | 41 Ų | 41 | 60.1 Ų | 60.1 | 18% | 0.18 | 33% | 0.325 | C | S | . | . | trans | -104.1 | 58.8 | -178.6 | -58.6 | -81.3 | 0 | 0 | 0 | 111.6 | R373 T411 D412 F413 K420 K423 | R373-F415 WeakPolarHBondContact CD-O 3.19Å; T411-F415 WeakPolarHBondContact O-CE2 3.43Å; D412-F415 PolarHBondContact O-N 3.15Å; F413-F415 PolarHBondContact O-N 3.47Å; F415-K420 VanDerWaalsContact CD1-O 3.24Å; F415-K420 WeakPolarHBondContact CD1-O 3.32Å; F415-K423 HydrophobicContact CD1-CG 4.35Å; F415-K423 HydrophobicContact CE1-CG 3.64Å; F415-K423 HydrophobicContact CZ-CG 3.77Å | ||
| 416 | L | 95.9 | Very high | 85.2 | Confident | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | trans | -83.2 | -21.4 | -175.4 | -58.1 | 177.2 | 0 | 0 | 0 | 113.7 | W368 A369 L390 I394 F413 I446 R449 | W368-L416 HydrophobicContact CZ3-CD1 4.27Å; W368-L416 HydrophobicContact CZ3-CD2 4.04Å; A369-L416 HydrophobicContact CB-CD2 4.08Å; L390-L416 HydrophobicContact CD2-CD1 4.46Å; I394-L416 HydrophobicContact CG1-CD1 4.49Å; F413-L416 HydrophobicContact CE1-CD1 4.35Å; F413-L416 WeakPolarHBondContact O-CD2 3.49Å; L416-I446 HydrophobicContact CB-CG2 4.42Å; L416-R449 PolarHBondContact O-NE 2.94Å | ||
| 417 | G | 96.2 | Very high | 87 | Confident | 2 Ų | 2 | 58.9 Ų | 58.9 | 2% | 0.021 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -73 | 171.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | V419 | G417-V419 PolarHBondContact O-N 2.76Š|
| 418 | R | 96.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -72.6 | -16 | 172.1 | -73.7 | 178.9 | 162.4 | 148.5 | -8.9 | 112.8 | Y115 S269 R270 D376 D378 K420 A447 G448 R449 | Y115-R418 HydrophobicContact CE1-CB 4.24Å; S269-R418 CarbonylContact C-O 3.56Å; S269-R418 VanDerWaalsContact C-O 3.26Å; S269-R418 WeakPolarHBondContact CA-O 3.13Å; R270-R418 PolarHBondContact N-O 2.86Å; D376-R418 PolarHBondContact O-NH2 2.79Å; D376-R418 IonicContact OD1-CZ 2.72Å; D376-R418 IonicContact OD1-NE 3.7Å; D376-R418 PolarHBondContact OD1-NE 3.28Å; D376-R418 IonicContact OD1-NH2 3.56Å; D376-R418 PolarHBondContact OD1-NH2 2.65Å; D376-R418 IonicContact OD2-CZ 3.14Å; D376-R418 IonicContact OD2-NE 3.7Å; D376-R418 IonicContact OD2-NH2 2.68Å; D376-R418 PolarHBondContact OD2-NH2 3.17Å; D378-R418 IonicContact OD1-CZ 3.56Å; D378-R418 IonicContact OD1-NH1 3.55Å; D378-R418 PolarHBondContact OD1-NH1 3.11Å; D378-R418 IonicContact OD1-NH2 3.74Å; D378-R418 PolarHBondContact OD1-NH2 3.46Å; R418-K420 PolarHBondContact O-N 2.92Å; R418-A447 PolarHBondContact N-O 2.96Å; R418-G448 WeakPolarHBondContact CD-O 3.43Å; R418-G448 PolarHBondContact NH1-O 2.83Å; R418-R449 HydrophobicContact CG-CG 4.26Å |
| 419 | V | 96.4 | Very high | 89.7 | Confident | 13 Ų | 13 | 52.2 Ų | 52.2 | 8% | 0.079 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | -85.7 | 112 | 179.8 | -178.2 | 0 | 0 | 0 | 0 | 109.5 | Y115 G417 N421 Q422 A447 | Y115-V419 VanDerWaalsContact OH-CG2 3.29Å; Y115-V419 WeakPolarHBondContact OH-CG2 3.3Å; G417-V419 PolarHBondContact O-N 2.76Å; V419-N421 VanDerWaalsContact C-N 3.29Å; V419-N421 PolarHBondContact O-N 3.35Å; V419-N421 VanDerWaalsContact O-N 3.13Å; V419-Q422 HydrophobicContact CB-CB 3.83Å; V419-Q422 HydrophobicContact CG1-CB 3.73Å; V419-Q422 PolarHBondContact O-N 3.42Å; V419-Q422 VanDerWaalsContact O-N 3.16Å; V419-A447 HydrophobicContact CB-CB 4.42Å; V419-A447 HydrophobicContact CG2-CB 3.59Å |
| 420 | K | 92.5 | Very high | 90.1 | Very high | 37 Ų | 37 | 53.5 Ų | 53.5 | 16% | 0.161 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | -43.5 | -167.8 | -67.7 | -174.2 | 174.3 | -179.7 | 0 | 113.6 | M268 S269 R270 F415 R418 | M268-K420 PolarHBondContact O-N 3.26Å; S269-K420 WeakPolarHBondContact O-CE 3.42Å; R270-K420 HydrophobicContact CG-CG 3.87Å; F415-K420 VanDerWaalsContact CD1-O 3.24Å; F415-K420 WeakPolarHBondContact CD1-O 3.32Å; R418-K420 PolarHBondContact O-N 2.92Å |
| 421 | N | 90.2 | Very high | 89.7 | Confident | 149 Ų | 149 | 55.4 Ų | 55.4 | 80% | 0.797 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.5 | 12.5 | -172.7 | -64.9 | -37.9 | 0 | 0 | 0 | 114.6 | V419 | V419-N421 VanDerWaalsContact C-N 3.29Å; V419-N421 PolarHBondContact O-N 3.35Å; V419-N421 VanDerWaalsContact O-N 3.13Å |
| 422 | Q | 94.2 | Very high | 89 | Confident | 66 Ų | 66 | 59.6 Ų | 59.6 | 31% | 0.308 | 30% | 0.298 | S | S | . | . | trans | -98 | 113.4 | 179.3 | -171.9 | 175.2 | 30.9 | 0 | 0 | 110.9 | V419 | V419-Q422 HydrophobicContact CB-CB 3.83Å; V419-Q422 HydrophobicContact CG1-CB 3.73Å; V419-Q422 PolarHBondContact O-N 3.42Å; V419-Q422 VanDerWaalsContact O-N 3.16Å | ||
| 423 | K | 94.1 | Very high | 88.1 | Confident | 124 Ų | 124 | 60.1 Ų | 60.1 | 54% | 0.539 | 30% | 0.304 | S | S | . | . | trans | -69.5 | 131.2 | 172.1 | -66.7 | -178.4 | -178.7 | 175 | 0 | 110.7 | P414 F415 N445 | P414-K423 HydrophobicContact CB-CB 4.41Å; P414-K423 HydrophobicContact CB-CG 4.43Å; P414-K423 HydrophobicContact CG-CG 4.34Å; P414-K423 CarbonylContact O-C 3.52Å; P414-K423 WeakPolarHBondContact O-CA 3.46Å; F415-K423 HydrophobicContact CD1-CG 4.35Å; F415-K423 HydrophobicContact CE1-CG 3.64Å; F415-K423 HydrophobicContact CZ-CG 3.77Å; K423-N445 PolarHBondContact O-ND2 3.17Å | ||
| 424 | T | 95.7 | Very high | 86.7 | Confident | 6 Ų | 6 | 70.4 Ų | 70.4 | 4% | 0.037 | 35% | 0.349 | C | S | . | . | trans | -69.7 | 129.3 | 165.9 | -51.3 | 0 | 0 | 0 | 0 | 109 | I394 P414 C444 I446 | I394-T424 HydrophobicContact CD1-CG2 3.55Å; I394-T424 HydrophobicContact CG1-CG2 4.48Å; P414-T424 WeakPolarHBondContact O-CB 3.3Å; P414-T424 PolarHBondContact O-N 2.99Å; P414-T424 PolarHBondContact O-OG1 3.43Å; T424-C444 HydrophobicContact CG2-CB 3.86Å; T424-I446 HydrophobicContact CG2-CD1 4.44Å; T424-I446 HydrophobicContact CG2-CG1 3.74Å | ||
| 425 | V | 93.8 | Very high | 85.1 | Confident | 75 Ų | 75 | 73 Ų | 73 | 46% | 0.455 | 36% | 0.359 | S | S | . | . | trans | -130.8 | 137.6 | 179.6 | 178.7 | 0 | 0 | 0 | 0 | 108 | N445 | V425-N445 WeakPolarHBondContact CA-OD1 3.47Å; V425-N445 PolarHBondContact N-OD1 3Å; V425-N445 PolarHBondContact O-OD1 2.97Å; V425-N445 VanDerWaalsContact O-OD1 3.06Å | ||
| 426 | V | 93.5 | Very high | 83.5 | Confident | 32 Ų | 32 | 72.3 Ų | 72.3 | 19% | 0.194 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 125.6 | 174.7 | -172.5 | 0 | 0 | 0 | 0 | 109.1 | P391 I394 K442 | P391-V426 HydrophobicContact CB-CG1 4.09Å; P391-V426 HydrophobicContact CB-CG2 4.1Å; P391-V426 HydrophobicContact CG-CG1 4.13Å; I394-V426 HydrophobicContact CB-CG2 4.17Å; I394-V426 HydrophobicContact CD1-CG2 3.88Å; I394-V426 HydrophobicContact CG2-CG2 4.08Å; V426-K442 HydrophobicContact CG1-CB 3.89Å; V426-K442 HydrophobicContact CG1-CD 4.03Å; V426-K442 HydrophobicContact CG1-CG 4.09Å |
| 427 | R | 90.2 | Very high | 82.2 | Confident | 174 Ų | 174 | 73.4 Ų | 73.4 | 66% | 0.657 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 132.5 | 172.4 | -65.4 | -177 | -178.4 | 176.1 | 1.4 | 110 | K442 L443 | R427-K442 CarbonylContact O-C 3.52Å; R427-K442 WeakPolarHBondContact O-CA 3.46Å; R427-L443 PolarHBondContact N-O 3.05Å; R427-L443 PolarHBondContact O-N 3.25Å |
| 428 | I | 86.3 | Confident | 80.9 | Confident | 111 Ų | 111 | 77.5 Ų | 77.5 | 57% | 0.569 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 131.3 | 174.2 | -58.5 | 173.2 | 0 | 0 | 0 | 108.9 | E440 | I428-E440 HydrophobicContact CG2-CG 3.5Å; I428-E440 VanDerWaalsContact CG2-CG 3.5Å |
| 429 | S | 79.9 | Confident | 79.8 | Confident | 30 Ų | 30 | 78.9 Ų | 78.9 | 21% | 0.21 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 124.8 | 177 | 69 | 0 | 0 | 0 | 0 | 109.8 | N441 L443 | S429-N441 WeakPolarHBondContact CA-O 3.35Å; S429-N441 PolarHBondContact N-O 2.84Å; S429-N441 PolarHBondContact O-N 3.34Å; S429-N441 PolarHBondContact OG-O 3.2Å; S429-L443 WeakPolarHBondContact OG-CD1 3.3Å |
| 430 | N | 71.7 | Confident | 79 | Confident | 113 Ų | 113 | 83.1 Ų | 83.1 | 60% | 0.604 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 111.3 | 173.5 | -72.9 | -40.7 | 0 | 0 | 0 | 108.8 | ||
| 431 | V | 68.8 | Low | 78.6 | Confident | 47 Ų | 47 | 82 Ų | 82 | 29% | 0.285 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 124.2 | 176.1 | -177.5 | 0 | 0 | 0 | 0 | 108.4 | R438 R439 N441 | V431-R438 WeakPolarHBondContact O-CA 3.31Å; V431-R439 PolarHBondContact N-O 2.54Å; V431-R439 PolarHBondContact O-N 2.83Å; V431-N441 HydrophobicContact CG2-CB 4.39Å |
| 432 | Q | 65.3 | Low | 78.5 | Confident | 163 Ų | 163 | 77.6 Ų | 77.6 | 76% | 0.762 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 113.8 | 171.2 | -172.4 | 177.6 | 7.9 | 0 | 0 | 109.2 | G437 | Q432-G437 WeakPolarHBondContact CA-O 3.5Å |
| 433 | S | 67.7 | Low | 78.3 | Confident | 46 Ų | 46 | 77.5 Ų | 77.5 | 32% | 0.322 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 155.9 | 173.1 | 72.5 | 0 | 0 | 0 | 0 | 111.8 | Q435 M436 G437 | S433-Q435 PolarHBondContact O-N 3.22Å; S433-M436 WeakPolarHBondContact OG-CB 3.45Å; S433-M436 PolarHBondContact OG-N 2.82Å; S433-G437 PolarHBondContact N-O 2.93Å; S433-G437 VanDerWaalsContact N-O 3.11Å; S433-G437 WeakPolarHBondContact O-CA 3.4Å; S433-G437 PolarHBondContact O-N 2.94Å |
| 434 | K | 64.6 | Low | 78.2 | Confident | 217 Ų | 217 | 72 Ų | 72 | 94% | 0.943 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -26.1 | 173.8 | -71.5 | -174.1 | 179.3 | 179.2 | 0 | 112.6 | ||
| 435 | Q | 58.3 | Low | 78.2 | Confident | 85 Ų | 85 | 73.9 Ų | 73.9 | 40% | 0.397 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -45.3 | -177.9 | -173.3 | 172.8 | 0.6 | 0 | 0 | 112.2 | S433 R460 | S433-Q435 PolarHBondContact O-N 3.22Å; Q435-R460 PolarHBondContact NE2-O 2.78Å |
| 436 | M | 62.4 | Low | 78.2 | Confident | 26 Ų | 26 | 70.7 Ų | 70.7 | 13% | 0.128 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | -14.8 | -172.8 | -59.2 | -70.5 | -72.7 | 0 | 0 | 114.5 | S433 R439 F459 R460 | S433-M436 WeakPolarHBondContact OG-CB 3.45Å; S433-M436 PolarHBondContact OG-N 2.82Å; M436-R439 WeakPolarHBondContact O-CD 3.41Å; M436-R439 PolarHBondContact O-NE 2.71Å; M436-F459 HydrophobicContact CE-CB 3.5Å; M436-F459 VanDerWaalsContact CE-CB 3.5Å; M436-F459 HydrophobicContact CE-CG 4.46Å; M436-F459 HydrophobicContact SD-CB 3.96Å; M436-R460 VanDerWaalsContact SD-CA 3.57Å; M436-R460 HydrophobicContact SD-CB 3.89Å; M436-R460 HydrophobicContact SD-CG 4.4Å |
| 437 | G | 67.5 | Low | 78.3 | Confident | 25 Ų | 25 | 69.8 Ų | 69.8 | 26% | 0.258 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 79.2 | -163.8 | -168.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q432 S433 | Q432-G437 WeakPolarHBondContact CA-O 3.5Å; S433-G437 PolarHBondContact N-O 2.93Å; S433-G437 VanDerWaalsContact N-O 3.11Å; S433-G437 WeakPolarHBondContact O-CA 3.4Å; S433-G437 PolarHBondContact O-N 2.94Å |
| 438 | R | 69.8 | Low | 78.6 | Confident | 88 Ų | 88 | 61.7 Ų | 61.7 | 33% | 0.332 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 115.9 | 171.7 | -177.3 | 179.3 | -177.8 | -176.8 | -0.5 | 107.8 | V431 E886 | V431-R438 WeakPolarHBondContact O-CA 3.31Å; R438-E886 IonicContact CZ-OE1 3.63Å; R438-E886 IonicContact CZ-OE2 2.67Å; R438-E886 IonicContact NH1-OE1 2.89Å; R438-E886 PolarHBondContact NH1-OE1 3.45Å; R438-E886 IonicContact NH1-OE2 3.98Å; R438-E886 PolarHBondContact NH1-OE2 2.82Å; R438-E886 IonicContact NH2-OE1 3.85Å |
| 439 | R | 73.8 | Confident | 79.1 | Confident | 29 Ų | 29 | 56.6 Ų | 56.6 | 11% | 0.109 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 146.5 | -179 | -67.1 | 175.7 | 179 | -96.9 | -16.3 | 109.8 | V431 M436 E879 G912 | V431-R439 PolarHBondContact N-O 2.54Å; V431-R439 PolarHBondContact O-N 2.83Å; M436-R439 WeakPolarHBondContact O-CD 3.41Å; M436-R439 PolarHBondContact O-NE 2.71Å; R439-E879 IonicContact CZ-OE1 3.64Å; R439-E879 IonicContact NE-OE1 3.11Å; R439-E879 IonicContact NH2-OE1 3.66Å; R439-E879 PolarHBondContact NH2-OE1 2.86Å; R439-G912 PolarHBondContact NH2-O 3.11Å |
| 440 | E | 79.1 | Confident | 79.9 | Confident | 102 Ų | 102 | 55.3 Ų | 55.3 | 48% | 0.477 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 122.7 | 165.3 | -171.7 | 175.9 | 111.6 | 0 | 0 | 107.6 | I428 | I428-E440 HydrophobicContact CG2-CG 3.5Å; I428-E440 VanDerWaalsContact CG2-CG 3.5Å |
| 441 | N | 83.5 | Confident | 81.1 | Confident | 15 Ų | 15 | 51.4 Ų | 51.4 | 8% | 0.08 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 135.9 | 175 | -81.4 | -22 | 0 | 0 | 0 | 109 | N387 S429 V431 Q456 | N387-N441 WeakPolarHBondContact OD1-CA 3.41Å; S429-N441 WeakPolarHBondContact CA-O 3.35Å; S429-N441 PolarHBondContact N-O 2.84Å; S429-N441 PolarHBondContact O-N 3.34Å; S429-N441 PolarHBondContact OG-O 3.2Å; V431-N441 HydrophobicContact CG2-CB 4.39Å; N441-Q456 PolarHBondContact OD1-NE2 3.04Å |
| 442 | K | 89.4 | Confident | 82.4 | Confident | 55 Ų | 55 | 49.2 Ų | 49.2 | 24% | 0.239 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 148.3 | 170.1 | -64.9 | 173.6 | -172.4 | 168.6 | 0 | 109.4 | Q386 N387 P391 V426 R427 | Q386-K442 VanDerWaalsContact CG-O 3.29Å; Q386-K442 WeakPolarHBondContact CG-O 3.42Å; Q386-K442 PolarHBondContact NE2-O 3.23Å; Q386-K442 WeakPolarHBondContact O-CB 3.19Å; N387-K442 WeakPolarHBondContact O-CD 3.5Å; N387-K442 PolarHBondContact O-NZ 3.07Å; N387-K442 VanDerWaalsContact O-NZ 3.07Å; N387-K442 PolarHBondContact OD1-N 3.25Å; P391-K442 HydrophobicContact CB-CD 3.72Å; P391-K442 HydrophobicContact CG-CB 3.96Å; P391-K442 HydrophobicContact CG-CD 3.46Å; P391-K442 VanDerWaalsContact CG-CD 3.46Å; P391-K442 HydrophobicContact CG-CG 4.37Å; V426-K442 HydrophobicContact CG1-CB 3.89Å; V426-K442 HydrophobicContact CG1-CD 4.03Å; V426-K442 HydrophobicContact CG1-CG 4.09Å; R427-K442 CarbonylContact O-C 3.52Å; R427-K442 WeakPolarHBondContact O-CA 3.46Å |
| 443 | L | 88.5 | Confident | 83.9 | Confident | 64 Ų | 64 | 41.5 Ų | 41.5 | 34% | 0.335 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 121.9 | -179.9 | -67 | 172 | 0 | 0 | 0 | 108.5 | R427 S429 T543 | R427-L443 PolarHBondContact N-O 3.05Å; R427-L443 PolarHBondContact O-N 3.25Å; S429-L443 WeakPolarHBondContact OG-CD1 3.3Å; L443-T543 HydrophobicContact CD2-CG2 4.21Å |
| 444 | C | 93.5 | Very high | 85.2 | Confident | 9 Ų | 9 | 39.3 Ų | 39.3 | 6% | 0.061 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 132 | 175.6 | -63.2 | 0 | 0 | 0 | 0 | 109.7 | I394 T424 I446 Q451 | I394-C444 HydrophobicContact CD1-CB 4.41Å; T424-C444 HydrophobicContact CG2-CB 3.86Å; C444-I446 HydrophobicContact CB-CD1 4.21Å; C444-I446 HydrophobicContact CB-CG1 4.08Å; C444-I446 PolarHBondContact O-N 3.47Å; C444-I446 VanDerWaalsContact O-N 3.1Å; C444-Q451 PolarHBondContact O-NE2 2.88Å |
| 445 | N | 93.8 | Very high | 86.6 | Confident | 46 Ų | 46 | 29.6 Ų | 29.6 | 25% | 0.246 | 15% | 0.147 | C | C | . | . | trans | -82.6 | 82.9 | 175.9 | 61.7 | -68.6 | 0 | 0 | 0 | 111.8 | K423 V425 | K423-N445 PolarHBondContact O-ND2 3.17Å; V425-N445 WeakPolarHBondContact CA-OD1 3.47Å; V425-N445 PolarHBondContact N-OD1 3Å; V425-N445 PolarHBondContact O-OD1 2.97Å; V425-N445 VanDerWaalsContact O-OD1 3.06Å | ||
| 446 | I | 95.8 | Very high | 88.1 | Confident | 8 Ų | 8 | 26.2 Ų | 26.2 | 4% | 0.041 | 13% | 0.132 | C | C | . | . | trans | -102.6 | 78.3 | 177.3 | -52.9 | 179.9 | 0 | 0 | 0 | 108.8 | L380 L390 L416 T424 C444 G448 R449 Q451 | L380-I446 HydrophobicContact CD1-CD1 3.65Å; L380-I446 HydrophobicContact CD1-CG2 4.07Å; L390-I446 HydrophobicContact CD1-CD1 3.86Å; L390-I446 HydrophobicContact CD2-CD1 4.04Å; L416-I446 HydrophobicContact CB-CG2 4.42Å; T424-I446 HydrophobicContact CG2-CD1 4.44Å; T424-I446 HydrophobicContact CG2-CG1 3.74Å; C444-I446 HydrophobicContact CB-CD1 4.21Å; C444-I446 HydrophobicContact CB-CG1 4.08Å; C444-I446 PolarHBondContact O-N 3.47Å; C444-I446 VanDerWaalsContact O-N 3.1Å; I446-G448 PolarHBondContact O-N 2.92Å; I446-R449 HydrophobicContact CG2-CB 3.84Å; I446-R449 HydrophobicContact CG2-CG 3.98Å; I446-R449 PolarHBondContact O-N 2.89Å; I446-R449 VanDerWaalsContact O-O 3.06Å; I446-Q451 HydrophobicContact CD1-CG 4.36Å | ||
| 447 | A | 95.2 | Very high | 89.5 | Confident | 12 Ų | 12 | 25 Ų | 25 | 10% | 0.099 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 137.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R418 V419 R449 | R418-A447 PolarHBondContact N-O 2.96Å; V419-A447 HydrophobicContact CB-CB 4.42Å; V419-A447 HydrophobicContact CG2-CB 3.59Å; A447-R449 PolarHBondContact O-N 2.97Å |
| 448 | G | 96.5 | Very high | 90.6 | Very high | 4 Ų | 4 | 23.8 Ų | 23.8 | 4% | 0.041 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | 0.3 | -179 | 0 | 0 | 0 | 0 | 0 | 116.1 | Y115 R418 I446 | Y115-G448 VanDerWaalsContact CD2-CA 3.48Å; Y115-G448 VanDerWaalsContact CG-CA 3.43Å; R418-G448 WeakPolarHBondContact CD-O 3.43Å; R418-G448 PolarHBondContact NH1-O 2.83Å; I446-G448 PolarHBondContact O-N 2.92Å |
| 449 | R | 96.9 | Very high | 91.4 | Very high | 5 Ų | 5 | 21 Ų | 21 | 2% | 0.019 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -122.8 | 130.3 | 172.3 | -48.2 | -172.4 | -171.4 | -72.3 | 2.7 | 110 | V372 D376 P377 D378 L380 L416 R418 I446 A447 | V372-R449 PolarHBondContact O-NH2 3.31Å; D376-R449 IonicContact OD1-CZ 3.92Å; D376-R449 IonicContact OD1-NH1 2.86Å; D376-R449 PolarHBondContact OD1-NH1 2.95Å; D376-R449 IonicContact OD1-NH2 3.83Å; D376-R449 PolarHBondContact OD1-NH2 3.12Å; P377-R449 VanDerWaalsContact CD-NH1 3.34Å; P377-R449 VanDerWaalsContact N-NH1 3.19Å; P377-R449 WeakPolarHBondContact O-CD 3.32Å; P377-R449 WeakPolarHBondContact O-CG 3.48Å; P377-R449 PolarHBondContact O-NH1 3.25Å; D378-R449 WeakPolarHBondContact O-CA 3.36Å; L380-R449 HydrophobicContact CD1-CB 4.4Å; L380-R449 HydrophobicContact CG-CB 4.39Å; L416-R449 PolarHBondContact O-NE 2.94Å; R418-R449 HydrophobicContact CG-CG 4.26Å; I446-R449 HydrophobicContact CG2-CB 3.84Å; I446-R449 HydrophobicContact CG2-CG 3.98Å; I446-R449 PolarHBondContact O-N 2.89Å; I446-R449 VanDerWaalsContact O-O 3.06Å; A447-R449 PolarHBondContact O-N 2.97Å |
| 450 | V | 96.7 | Very high | 91.8 | Very high | 2 Ų | 2 | 20.9 Ų | 20.9 | 1% | 0.012 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 119.8 | -179.9 | 173.4 | 0 | 0 | 0 | 0 | 109.6 | M90 D91 D378 L379 L380 F452 L538 L542 | M90-V450 HydrophobicContact CE-CB 3.64Å; M90-V450 HydrophobicContact CE-CG2 3.36Å; D91-V450 HydrophobicContact CB-CG2 4.38Å; D378-V450 PolarHBondContact O-N 2.9Å; L379-V450 CarbonylContact C-O 3.56Å; L379-V450 VanDerWaalsContact CA-O 3.32Å; L379-V450 WeakPolarHBondContact CA-O 3.41Å; L379-V450 HydrophobicContact CD2-CB 3.72Å; L379-V450 HydrophobicContact CD2-CG1 3.79Å; L380-V450 PolarHBondContact N-O 3.48Å; V450-F452 PolarHBondContact O-N 3.13Å; V450-L538 HydrophobicContact CG1-CD2 4.03Å; V450-L538 HydrophobicContact CG1-CG 4.09Å; V450-L542 HydrophobicContact CG1-CD1 3.87Å |
| 451 | Q | 96.1 | Very high | 92.2 | Very high | 31 Ų | 31 | 19.6 Ų | 19.6 | 15% | 0.145 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 110 | 170.1 | -73.7 | 159 | 78 | 0 | 0 | 109.1 | L380 L390 C444 I446 L542 | L380-Q451 HydrophobicContact CB-CG 4.48Å; L380-Q451 HydrophobicContact CD1-CG 4.46Å; L380-Q451 CarbonylContact O-C 3.56Å; L380-Q451 WeakPolarHBondContact O-CA 3.43Å; L390-Q451 HydrophobicContact CD1-CG 3.99Å; C444-Q451 PolarHBondContact O-NE2 2.88Å; I446-Q451 HydrophobicContact CD1-CG 4.36Å; Q451-L542 VanDerWaalsContact O-CD1 3.27Å; Q451-L542 WeakPolarHBondContact O-CD1 3.4Å |
| 452 | F | 96.4 | Very high | 92.3 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 0% | 0.004 | 11% | 0.109 | C | C | . | . | trans | -114.6 | 58.6 | -177 | -154.9 | -83.6 | 0 | 0 | 0 | 110.3 | L379 L380 T381 V450 L454 V457 L518 V524 Y527 L538 L542 | L379-F452 HydrophobicContact CD2-CB 3.85Å; L379-F452 HydrophobicContact CD2-CD2 4.04Å; L379-F452 HydrophobicContact CD2-CG 4.22Å; L380-F452 PolarHBondContact O-N 3.46Å; T381-F452 WeakPolarHBondContact CB-O 3.48Å; T381-F452 PolarHBondContact OG1-O 3.06Å; V450-F452 PolarHBondContact O-N 3.13Å; F452-L454 PolarHBondContact O-N 2.95Å; F452-V457 HydrophobicContact CD1-CG2 4.04Å; F452-V457 HydrophobicContact CE1-CG2 3.55Å; F452-V457 HydrophobicContact CZ-CG2 4.01Å; F452-L518 HydrophobicContact CD1-CD1 4.39Å; F452-L518 HydrophobicContact CD1-CD2 3.75Å; F452-L518 HydrophobicContact CE1-CD2 3.55Å; F452-V524 HydrophobicContact CD1-CG2 4.32Å; F452-V524 HydrophobicContact CE1-CG2 4.1Å; F452-V524 HydrophobicContact CZ-CG2 4.41Å; F452-Y527 HydrophobicContact CE2-CD1 4.18Å; F452-Y527 AromaticContact CE2-CG 3.97Å; F452-Y527 HydrophobicContact CE2-CG 3.97Å; F452-Y527 HydrophobicContact CZ-CD1 4.37Å; F452-Y527 AromaticContact CZ-CD2 3.98Å; F452-Y527 HydrophobicContact CZ-CD2 3.98Å; F452-Y527 AromaticContact CZ-CG 3.88Å; F452-Y527 HydrophobicContact CZ-CG 3.88Å; F452-L538 HydrophobicContact CD2-CD2 4.45Å; F452-L538 HydrophobicContact CE2-CD1 4.2Å; F452-L542 HydrophobicContact CD2-CD1 3.63Å; F452-L542 HydrophobicContact CD2-CD2 4.16Å; F452-L542 HydrophobicContact CD2-CG 4.44Å; F452-L542 HydrophobicContact CE2-CD1 4.12Å; F452-L542 HydrophobicContact CE2-CD2 3.98Å; F452-L542 HydrophobicContact CE2-CG 4.49Å; F452-L542 HydrophobicContact CG-CD1 4.35Å; F452-L542 HydrophobicContact CZ-CD2 4.43Å | ||
| 453 | D | 95.7 | Very high | 91.8 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | trans | -62.7 | 120.1 | -179 | -175 | -23.4 | 0 | 0 | 0 | 111.4 | N384 I385 Q386 L455 Q456 V457 | N384-D453 WeakPolarHBondContact CA-OD2 3.41Å; N384-D453 PolarHBondContact N-OD1 2.93Å; I385-D453 HydrophobicContact CG1-CB 3.96Å; I385-D453 PolarHBondContact N-OD2 3.27Å; I385-D453 VanDerWaalsContact N-OD2 3.13Å; Q386-D453 HydrophobicContact CB-CB 4.1Å; Q386-D453 VanDerWaalsContact CB-OD2 3.32Å; Q386-D453 WeakPolarHBondContact CB-OD2 3.47Å; Q386-D453 PolarHBondContact N-OD2 2.73Å; D453-L455 PolarHBondContact O-N 3.23Å; D453-L455 WeakPolarHBondContact OD1-CB 3.47Å; D453-L455 PolarHBondContact OD1-N 3.37Å; D453-Q456 HydrophobicContact CB-CB 4.37Å; D453-Q456 HydrophobicContact CB-CG 3.99Å; D453-Q456 WeakPolarHBondContact O-CB 3.19Å; D453-Q456 PolarHBondContact O-N 3.15Å; D453-Q456 VanDerWaalsContact O-N 3.1Å; D453-V457 PolarHBondContact O-N 2.95Å | ||
| 454 | L | 96.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.1 | -35.9 | -177.4 | 175.7 | 60.5 | 0 | 0 | 0 | 112.1 | G382 Y383 F452 Q456 V457 L458 P514 L517 L518 | G382-L454 WeakPolarHBondContact O-CB 3.03Å; G382-L454 PolarHBondContact O-N 3.06Å; Y383-L454 HydrophobicContact CD2-CB 4.37Å; Y383-L454 HydrophobicContact CD2-CD2 4.04Å; Y383-L454 HydrophobicContact CD2-CG 4.28Å; Y383-L454 HydrophobicContact CE2-CD2 4.28Å; Y383-L454 HydrophobicContact CE2-CG 4.37Å; F452-L454 PolarHBondContact O-N 2.95Å; L454-Q456 VanDerWaalsContact C-N 3.28Å; L454-Q456 PolarHBondContact O-N 2.94Å; L454-V457 WeakPolarHBondContact O-CB 3.46Å; L454-V457 PolarHBondContact O-N 3.17Å; L454-L458 HydrophobicContact CD1-CD1 4.35Å; L454-L458 HydrophobicContact CD1-CD2 4.45Å; L454-L458 HydrophobicContact CD1-CG 4.05Å; L454-L458 HydrophobicContact CG-CD1 4.09Å; L454-L458 HydrophobicContact CG-CG 4.25Å; L454-L458 WeakPolarHBondContact O-CG 3.46Å; L454-L458 PolarHBondContact O-N 3.02Å; L454-P514 HydrophobicContact CD2-CB 3.98Å; L454-L517 HydrophobicContact CD1-CB 4.35Å; L454-L517 HydrophobicContact CD2-CB 3.44Å; L454-L517 VanDerWaalsContact CD2-CB 3.44Å; L454-L517 HydrophobicContact CD2-CD1 3.57Å; L454-L517 HydrophobicContact CD2-CG 4.13Å; L454-L518 HydrophobicContact CD1-CD2 3.85Å; L454-L518 HydrophobicContact CD1-CG 4.24Å |
| 455 | L | 93.5 | Very high | 90.5 | Very high | 13 Ų | 13 | 31.3 Ų | 31.3 | 7% | 0.068 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.5 | -37.8 | 179.8 | -179.5 | 60.1 | 0 | 0 | 0 | 111.2 | Y383 N384 D453 L458 F459 Y467 | Y383-L455 HydrophobicContact CE1-CB 4.5Å; Y383-L455 HydrophobicContact CE1-CD1 4.1Å; Y383-L455 HydrophobicContact CE2-CB 4.5Å; N384-L455 HydrophobicContact CB-CD2 3.66Å; N384-L455 WeakPolarHBondContact OD1-CD2 3.37Å; D453-L455 PolarHBondContact O-N 3.23Å; D453-L455 WeakPolarHBondContact OD1-CB 3.47Å; D453-L455 PolarHBondContact OD1-N 3.37Å; L455-L458 PolarHBondContact O-N 2.94Å; L455-F459 HydrophobicContact CD1-CD2 4.04Å; L455-F459 HydrophobicContact CD1-CE1 4.46Å; L455-F459 HydrophobicContact CD1-CE2 3.48Å; L455-F459 VanDerWaalsContact CD1-CE2 3.48Å; L455-F459 HydrophobicContact CD1-CZ 3.68Å; L455-F459 HydrophobicContact CD2-CE2 3.86Å; L455-F459 HydrophobicContact CD2-CZ 4.46Å; L455-F459 HydrophobicContact CG-CD2 3.91Å; L455-F459 HydrophobicContact CG-CE2 3.43Å; L455-F459 VanDerWaalsContact CG-CE2 3.43Å; L455-F459 HydrophobicContact CG-CZ 4.14Å; L455-F459 VanDerWaalsContact O-CD2 3.24Å; L455-F459 WeakPolarHBondContact O-CD2 3.47Å; L455-F459 PolarHBondContact O-N 3.19Å; L455-Y467 HydrophobicContact CD1-CD1 4.35Å |
| 456 | Q | 89.4 | Confident | 89.9 | Confident | 15 Ų | 15 | 30.2 Ų | 30.2 | 7% | 0.07 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.6 | -40.6 | 176.1 | -63.8 | -61.8 | -38 | 0 | 0 | 111.7 | N387 N441 D453 L454 F459 R460 | N387-Q456 PolarHBondContact ND2-NE2 2.98Å; N387-Q456 VanDerWaalsContact ND2-NE2 3.17Å; N441-Q456 PolarHBondContact OD1-NE2 3.04Å; D453-Q456 HydrophobicContact CB-CB 4.37Å; D453-Q456 HydrophobicContact CB-CG 3.99Å; D453-Q456 WeakPolarHBondContact O-CB 3.19Å; D453-Q456 PolarHBondContact O-N 3.15Å; D453-Q456 VanDerWaalsContact O-N 3.1Å; L454-Q456 VanDerWaalsContact C-N 3.28Å; L454-Q456 PolarHBondContact O-N 2.94Å; Q456-F459 PolarHBondContact O-N 3.41Å; Q456-R460 WeakPolarHBondContact O-CB 3.5Å; Q456-R460 PolarHBondContact O-N 2.84Å; Q456-R460 VanDerWaalsContact O-N 3.16Å |
| 457 | V | 92 | Very high | 89.5 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.9 | -47.5 | 174 | 177.3 | 0 | 0 | 0 | 0 | 110.3 | F452 D453 L454 F459 R460 D461 Y527 L542 | F452-V457 HydrophobicContact CD1-CG2 4.04Å; F452-V457 HydrophobicContact CE1-CG2 3.55Å; F452-V457 HydrophobicContact CZ-CG2 4.01Å; D453-V457 PolarHBondContact O-N 2.95Å; L454-V457 WeakPolarHBondContact O-CB 3.46Å; L454-V457 PolarHBondContact O-N 3.17Å; V457-F459 PolarHBondContact O-N 2.72Å; V457-R460 PolarHBondContact O-N 2.84Å; V457-D461 PolarHBondContact O-N 3.03Å; V457-Y527 HydrophobicContact CG1-CE2 4.22Å; V457-L542 HydrophobicContact CG2-CD2 4.23Å |
| 458 | L | 91.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.8 | -43.1 | -179.5 | -70 | 177.4 | 0 | 0 | 0 | 112.8 | Y383 L454 L455 R460 Y462 Y467 V472 F476 L521 | Y383-L458 HydrophobicContact CE2-CD1 3.97Å; L454-L458 HydrophobicContact CD1-CD1 4.35Å; L454-L458 HydrophobicContact CD1-CD2 4.45Å; L454-L458 HydrophobicContact CD1-CG 4.05Å; L454-L458 HydrophobicContact CG-CD1 4.09Å; L454-L458 HydrophobicContact CG-CG 4.25Å; L454-L458 WeakPolarHBondContact O-CG 3.46Å; L454-L458 PolarHBondContact O-N 3.02Å; L455-L458 PolarHBondContact O-N 2.94Å; L458-R460 PolarHBondContact O-N 3.15Å; L458-Y462 HydrophobicContact CD2-CD2 3.79Å; L458-Y462 HydrophobicContact CD2-CE2 4.22Å; L458-Y462 HydrophobicContact CD2-CG 4.42Å; L458-Y462 WeakPolarHBondContact O-CA 3.46Å; L458-Y462 WeakPolarHBondContact O-CB 3.27Å; L458-Y462 PolarHBondContact O-N 3.21Å; L458-Y462 VanDerWaalsContact O-O 3.14Å; L458-Y467 HydrophobicContact CB-CD1 4.09Å; L458-Y467 HydrophobicContact CB-CE1 4.14Å; L458-V472 HydrophobicContact CD1-CB 4.1Å; L458-V472 HydrophobicContact CD1-CG1 3.92Å; L458-V472 HydrophobicContact CD1-CG2 4.1Å; L458-F476 HydrophobicContact CD2-CE2 3.82Å; L458-F476 HydrophobicContact CD2-CZ 4.34Å; L458-L521 HydrophobicContact CD2-CD1 3.61Å |
| 459 | F | 84.8 | Confident | 89 | Confident | 30 Ų | 30 | 34.3 Ų | 34.3 | 13% | 0.132 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.6 | -34.2 | 176.1 | -78.4 | -46.8 | 0 | 0 | 0 | 112.8 | M436 L455 Q456 V457 Y467 | M436-F459 HydrophobicContact CE-CB 3.5Å; M436-F459 VanDerWaalsContact CE-CB 3.5Å; M436-F459 HydrophobicContact CE-CG 4.46Å; M436-F459 HydrophobicContact SD-CB 3.96Å; L455-F459 HydrophobicContact CD1-CD2 4.04Å; L455-F459 HydrophobicContact CD1-CE1 4.46Å; L455-F459 HydrophobicContact CD1-CE2 3.48Å; L455-F459 VanDerWaalsContact CD1-CE2 3.48Å; L455-F459 HydrophobicContact CD1-CZ 3.68Å; L455-F459 HydrophobicContact CD2-CE2 3.86Å; L455-F459 HydrophobicContact CD2-CZ 4.46Å; L455-F459 HydrophobicContact CG-CD2 3.91Å; L455-F459 HydrophobicContact CG-CE2 3.43Å; L455-F459 VanDerWaalsContact CG-CE2 3.43Å; L455-F459 HydrophobicContact CG-CZ 4.14Å; L455-F459 VanDerWaalsContact O-CD2 3.24Å; L455-F459 WeakPolarHBondContact O-CD2 3.47Å; L455-F459 PolarHBondContact O-N 3.19Å; Q456-F459 PolarHBondContact O-N 3.41Å; V457-F459 PolarHBondContact O-N 2.72Å; F459-Y467 AromaticContact CD1-CD1 3.76Å; F459-Y467 HydrophobicContact CD1-CD1 3.76Å; F459-Y467 HydrophobicContact CD1-CD2 4.27Å; F459-Y467 AromaticContact CD1-CE1 3.57Å; F459-Y467 HydrophobicContact CD1-CE1 3.57Å; F459-Y467 HydrophobicContact CD1-CE2 4.11Å; F459-Y467 HydrophobicContact CD1-CG 4.11Å; F459-Y467 AromaticContact CD1-CZ 3.75Å; F459-Y467 AromaticContact CE1-CD1 3.62Å; F459-Y467 HydrophobicContact CE1-CD1 3.62Å; F459-Y467 AromaticContact CE1-CD2 3.64Å; F459-Y467 HydrophobicContact CE1-CD2 3.64Å; F459-Y467 AromaticContact CE1-CE1 3.86Å; F459-Y467 HydrophobicContact CE1-CE1 3.86Å; F459-Y467 AromaticContact CE1-CE2 3.88Å; F459-Y467 HydrophobicContact CE1-CE2 3.88Å; F459-Y467 AromaticContact CE1-CG 3.5Å; F459-Y467 HydrophobicContact CE1-CG 3.5Å; F459-Y467 AromaticContact CE1-CZ 3.98Å; F459-Y467 HydrophobicContact CG-CE1 4.39Å; F459-Y467 HydrophobicContact CZ-CD1 4.32Å; F459-Y467 HydrophobicContact CZ-CG 4.12Å |
| 460 | R | 84.2 | Confident | 88.7 | Confident | 25 Ų | 25 | 34.3 Ų | 34.3 | 9% | 0.094 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -76.5 | -44.9 | -178.3 | -170.2 | 170.6 | 166.8 | 103.8 | -15.8 | 111.6 | Q435 M436 Q456 V457 L458 Y527 L541 R544 | Q435-R460 PolarHBondContact NE2-O 2.78Å; M436-R460 VanDerWaalsContact SD-CA 3.57Å; M436-R460 HydrophobicContact SD-CB 3.89Å; M436-R460 HydrophobicContact SD-CG 4.4Å; Q456-R460 WeakPolarHBondContact O-CB 3.5Å; Q456-R460 PolarHBondContact O-N 2.84Å; Q456-R460 VanDerWaalsContact O-N 3.16Å; V457-R460 PolarHBondContact O-N 2.84Å; L458-R460 PolarHBondContact O-N 3.15Å; R460-Y527 WeakPolarHBondContact CD-OH 3.11Å; R460-L541 PolarHBondContact NE-O 2.77Å; R460-L541 PolarHBondContact NH2-O 3.42Å; R460-R544 PolarHBondContact NH1-O 2.88Å; R460-R544 PolarHBondContact NH2-O 3.49Å |
| 461 | D | 86.5 | Confident | 88.2 | Confident | 75 Ų | 75 | 35 Ų | 35 | 40% | 0.401 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -101.1 | -18.2 | -166.1 | -61.4 | -27.4 | 0 | 0 | 0 | 113.3 | V457 Y527 | V457-D461 PolarHBondContact O-N 3.03Å; D461-Y527 PolarHBondContact OD1-OH 2.86Å; D461-Y527 WeakPolarHBondContact OD2-CE2 3.48Å; D461-Y527 PolarHBondContact OD2-OH 2.81Å |
| 462 | Y | 85.8 | Confident | 88 | Confident | 72 Ų | 72 | 33.5 Ų | 33.5 | 28% | 0.282 | 15% | 0.152 | S | C | . | . | trans | -129.2 | 154.3 | -173.4 | -58.9 | -90.5 | 0 | 0 | 0 | 113.3 | L458 Y467 F476 L521 | L458-Y462 HydrophobicContact CD2-CD2 3.79Å; L458-Y462 HydrophobicContact CD2-CE2 4.22Å; L458-Y462 HydrophobicContact CD2-CG 4.42Å; L458-Y462 WeakPolarHBondContact O-CA 3.46Å; L458-Y462 WeakPolarHBondContact O-CB 3.27Å; L458-Y462 PolarHBondContact O-N 3.21Å; L458-Y462 VanDerWaalsContact O-O 3.14Å; Y462-Y467 PolarHBondContact O-OH 2.91Å; Y462-F476 HydrophobicContact CD1-CE1 4.11Å; Y462-F476 AromaticContact CD1-CZ 3.74Å; Y462-F476 HydrophobicContact CD1-CZ 3.74Å; Y462-F476 HydrophobicContact CE1-CE1 4.03Å; Y462-F476 HydrophobicContact CE1-CZ 4.01Å; Y462-F476 HydrophobicContact CG-CZ 4.07Å; Y462-L521 HydrophobicContact CE1-CD2 4.33Å; Y462-L521 HydrophobicContact CE2-CD1 4.07Å; Y462-L521 HydrophobicContact CE2-CD2 4.48Å | ||
| 463 | R | 78.2 | Confident | 87.8 | Confident | 208 Ų | 208 | 33.5 Ų | 33.5 | 79% | 0.785 | 15% | 0.152 | S | C | * | . | trans | -119.8 | 83 | 177.1 | -69.9 | -175.7 | 176.7 | -178 | 0.2 | 110.9 | Y467 | R463-Y467 WeakPolarHBondContact CA-OH 3.36Š| ||
| 464 | L | 80.8 | Confident | 87.4 | Confident | 17 Ų | 17 | 37.9 Ų | 37.9 | 9% | 0.089 | 17% | 0.171 | C | C | . | . | trans | -95.2 | 164.1 | -173.5 | -52.4 | 178.8 | 0 | 0 | 0 | 112.4 | S466 Y467 V472 F476 R827 | L464-S466 WeakPolarHBondContact CB-O 3.33Å; L464-Y467 HydrophobicContact CB-CD1 4.45Å; L464-Y467 HydrophobicContact CB-CD2 4.27Å; L464-Y467 HydrophobicContact CB-CE1 4.1Å; L464-Y467 HydrophobicContact CB-CE2 3.89Å; L464-Y467 HydrophobicContact CD1-CD1 4.15Å; L464-Y467 HydrophobicContact CD1-CE1 4.04Å; L464-Y467 HydrophobicContact CG-CE1 4.08Å; L464-Y467 PolarHBondContact N-OH 3.45Å; L464-V472 HydrophobicContact CD1-CG1 3.72Å; L464-F476 HydrophobicContact CD1-CE2 3.89Å; L464-F476 HydrophobicContact CD1-CZ 4.22Å; L464-F476 HydrophobicContact CD2-CZ 4.13Å; L464-R827 WeakPolarHBondContact O-CD 3.03Å; L464-R827 PolarHBondContact O-NH1 3.12Å | ||
| 465 | R | 74.5 | Confident | 87 | Confident | 92 Ų | 92 | 43 Ų | 43 | 35% | 0.347 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -79.9 | -41.6 | 173.9 | -78.5 | -174.4 | 173 | -158.1 | -3.5 | 111.8 | R826 R827 R914 | R465-R826 PolarHBondContact NH2-O 3.47Å; R465-R827 HydrophobicContact CG-CB 4.36Å; R465-R827 HydrophobicContact CG-CG 3.99Å; R465-R914 WeakPolarHBondContact O-CD 3.41Å |
| 466 | S | 81.2 | Confident | 86.8 | Confident | 23 Ų | 23 | 43.9 Ų | 43.9 | 16% | 0.161 | 20% | 0.198 | C | C | . | . | trans | -128 | 149.8 | 171.4 | 178.9 | 0 | 0 | 0 | 0 | 108.9 | L464 T468 D1067 | L464-S466 WeakPolarHBondContact CB-O 3.33Å; S466-T468 PolarHBondContact OG-N 3.11Å; S466-T468 PolarHBondContact OG-OG1 3.38Å; S466-D1067 WeakPolarHBondContact CB-OD1 3.48Å; S466-D1067 WeakPolarHBondContact CB-OD2 3.37Å; S466-D1067 VanDerWaalsContact OG-CG 3.28Å; S466-D1067 PolarHBondContact OG-OD1 3Å; S466-D1067 PolarHBondContact OG-OD2 2.65Å | ||
| 467 | Y | 87.5 | Confident | 86.8 | Confident | 37 Ų | 37 | 44.5 Ų | 44.5 | 15% | 0.145 | 20% | 0.202 | C | C | . | . | trans | -123.2 | 28.5 | 175.3 | -68 | -99.9 | 0 | 0 | 0 | 109.7 | Y383 L455 L458 F459 Y462 R463 L464 | Y383-Y467 WeakPolarHBondContact CE1-O 3.44Å; Y383-Y467 PolarHBondContact OH-O 2.81Å; L455-Y467 HydrophobicContact CD1-CD1 4.35Å; L458-Y467 HydrophobicContact CB-CD1 4.09Å; L458-Y467 HydrophobicContact CB-CE1 4.14Å; F459-Y467 AromaticContact CD1-CD1 3.76Å; F459-Y467 HydrophobicContact CD1-CD1 3.76Å; F459-Y467 HydrophobicContact CD1-CD2 4.27Å; F459-Y467 AromaticContact CD1-CE1 3.57Å; F459-Y467 HydrophobicContact CD1-CE1 3.57Å; F459-Y467 HydrophobicContact CD1-CE2 4.11Å; F459-Y467 HydrophobicContact CD1-CG 4.11Å; F459-Y467 AromaticContact CD1-CZ 3.75Å; F459-Y467 AromaticContact CE1-CD1 3.62Å; F459-Y467 HydrophobicContact CE1-CD1 3.62Å; F459-Y467 AromaticContact CE1-CD2 3.64Å; F459-Y467 HydrophobicContact CE1-CD2 3.64Å; F459-Y467 AromaticContact CE1-CE1 3.86Å; F459-Y467 HydrophobicContact CE1-CE1 3.86Å; F459-Y467 AromaticContact CE1-CE2 3.88Å; F459-Y467 HydrophobicContact CE1-CE2 3.88Å; F459-Y467 AromaticContact CE1-CG 3.5Å; F459-Y467 HydrophobicContact CE1-CG 3.5Å; F459-Y467 AromaticContact CE1-CZ 3.98Å; F459-Y467 HydrophobicContact CG-CE1 4.39Å; F459-Y467 HydrophobicContact CZ-CD1 4.32Å; F459-Y467 HydrophobicContact CZ-CG 4.12Å; Y462-Y467 PolarHBondContact O-OH 2.91Å; R463-Y467 WeakPolarHBondContact CA-OH 3.36Å; L464-Y467 HydrophobicContact CB-CD1 4.45Å; L464-Y467 HydrophobicContact CB-CD2 4.27Å; L464-Y467 HydrophobicContact CB-CE1 4.1Å; L464-Y467 HydrophobicContact CB-CE2 3.89Å; L464-Y467 HydrophobicContact CD1-CD1 4.15Å; L464-Y467 HydrophobicContact CD1-CE1 4.04Å; L464-Y467 HydrophobicContact CG-CE1 4.08Å; L464-Y467 PolarHBondContact N-OH 3.45Å | ||
| 468 | T | 88.9 | Confident | 86.4 | Confident | 62 Ų | 62 | 50.9 Ų | 50.9 | 38% | 0.38 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -73.8 | 148.7 | 164.9 | 62.3 | 0 | 0 | 0 | 0 | 108.9 | S466 N470 A471 V472 D1067 | S466-T468 PolarHBondContact OG-N 3.11Å; S466-T468 PolarHBondContact OG-OG1 3.38Å; T468-N470 PolarHBondContact O-N 3.19Å; T468-A471 PolarHBondContact O-N 3.25Å; T468-A471 WeakPolarHBondContact OG1-CB 3.38Å; T468-A471 PolarHBondContact OG1-N 3.45Å; T468-V472 WeakPolarHBondContact O-CG1 3.24Å; T468-V472 WeakPolarHBondContact O-CG2 3.44Å; T468-V472 PolarHBondContact O-N 3.42Å; T468-D1067 VanDerWaalsContact CG2-OD2 3.26Å; T468-D1067 WeakPolarHBondContact CG2-OD2 3.39Å; T468-D1067 PolarHBondContact OG1-OD2 2.81Å |
| 469 | L | 92.4 | Very high | 86 | Confident | 11 Ų | 11 | 53.6 Ų | 53.6 | 6% | 0.058 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -54.5 | -42.4 | 179 | -179.3 | 55 | 0 | 0 | 0 | 111.2 | Y383 A471 V472 S473 D510 L513 L517 | Y383-L469 HydrophobicContact CD1-CB 3.9Å; Y383-L469 HydrophobicContact CD2-CB 4.34Å; Y383-L469 HydrophobicContact CD2-CD1 3.65Å; Y383-L469 HydrophobicContact CD2-CG 4.47Å; Y383-L469 HydrophobicContact CE1-CB 4.02Å; Y383-L469 HydrophobicContact CE2-CB 4.44Å; Y383-L469 HydrophobicContact CE2-CD1 3.96Å; Y383-L469 HydrophobicContact CG-CB 4.06Å; Y383-L469 HydrophobicContact CG-CD1 4.02Å; Y383-L469 HydrophobicContact CG-CD2 4.43Å; Y383-L469 HydrophobicContact CG-CG 4.39Å; L469-A471 PolarHBondContact O-N 2.95Å; L469-V472 HydrophobicContact CD1-CG2 4.23Å; L469-V472 VanDerWaalsContact O-CG2 3.23Å; L469-V472 WeakPolarHBondContact O-CG2 3.35Å; L469-V472 PolarHBondContact O-N 2.95Å; L469-S473 VanDerWaalsContact O-CB 3.3Å; L469-S473 WeakPolarHBondContact O-CB 3.42Å; L469-S473 PolarHBondContact O-N 2.93Å; L469-S473 PolarHBondContact O-OG 3.25Å; L469-D510 HydrophobicContact CD2-CB 4.07Å; L469-D510 WeakPolarHBondContact CD2-OD1 3.28Å; L469-L513 HydrophobicContact CD1-CB 4Å; L469-L513 HydrophobicContact CD2-CB 4.36Å; L469-L513 HydrophobicContact CD2-CD1 4.24Å; L469-L513 HydrophobicContact CG-CB 4.44Å; L469-L513 HydrophobicContact CG-CD1 4.19Å; L469-L517 HydrophobicContact CD1-CD1 3.82Å |
| 470 | N | 89.6 | Confident | 85.8 | Confident | 5 Ų | 5 | 55.4 Ų | 55.4 | 3% | 0.027 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.9 | -46.3 | 175.8 | -178.6 | 63.8 | 0 | 0 | 0 | 113.1 | T468 V472 F474 K481 S1065 | T468-N470 PolarHBondContact O-N 3.19Å; N470-V472 PolarHBondContact O-N 3.4Å; N470-F474 WeakPolarHBondContact O-CB 3.15Å; N470-F474 PolarHBondContact O-N 3.43Å; N470-K481 HydrophobicContact CB-CD 4.48Å; N470-K481 HydrophobicContact CB-CG 3.77Å; N470-K481 PolarHBondContact OD1-N 2.92Å; N470-K481 PolarHBondContact OD1-O 2.98Å; N470-S1065 PolarHBondContact ND2-OG 2.85Å |
| 471 | A | 87.1 | Confident | 85.7 | Confident | 17 Ų | 17 | 54.9 Ų | 54.9 | 14% | 0.14 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67 | -37.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | T468 L469 H475 D1067 | T468-A471 PolarHBondContact O-N 3.25Å; T468-A471 WeakPolarHBondContact OG1-CB 3.38Å; T468-A471 PolarHBondContact OG1-N 3.45Å; L469-A471 PolarHBondContact O-N 2.95Å; A471-H475 VanDerWaalsContact O-CB 3.3Å; A471-H475 WeakPolarHBondContact O-CB 3.1Å; A471-H475 PolarHBondContact O-N 2.93Å; A471-D1067 HydrophobicContact CB-CB 4.14Å |
| 472 | V | 91.8 | Very high | 85.3 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -75.4 | -37.5 | 179.4 | -55.4 | 0 | 0 | 0 | 0 | 111.5 | Y383 L458 L464 T468 L469 N470 H475 F476 L517 | Y383-V472 HydrophobicContact CE2-CG2 3.83Å; L458-V472 HydrophobicContact CD1-CB 4.1Å; L458-V472 HydrophobicContact CD1-CG1 3.92Å; L458-V472 HydrophobicContact CD1-CG2 4.1Å; L464-V472 HydrophobicContact CD1-CG1 3.72Å; T468-V472 WeakPolarHBondContact O-CG1 3.24Å; T468-V472 WeakPolarHBondContact O-CG2 3.44Å; T468-V472 PolarHBondContact O-N 3.42Å; L469-V472 HydrophobicContact CD1-CG2 4.23Å; L469-V472 VanDerWaalsContact O-CG2 3.23Å; L469-V472 WeakPolarHBondContact O-CG2 3.35Å; L469-V472 PolarHBondContact O-N 2.95Å; N470-V472 PolarHBondContact O-N 3.4Å; V472-H475 PolarHBondContact O-N 3.24Å; V472-F476 HydrophobicContact CB-CD2 4.31Å; V472-F476 HydrophobicContact CB-CE2 4.45Å; V472-F476 VanDerWaalsContact O-CD2 3.27Å; V472-F476 WeakPolarHBondContact O-CD2 3.39Å; V472-F476 PolarHBondContact O-N 3.01Å; V472-L517 HydrophobicContact CG2-CD1 3.85Å |
| 473 | S | 91.5 | Very high | 85 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.8 | -46.5 | 170.7 | -66.2 | 0 | 0 | 0 | 0 | 111 | L469 H475 L477 Q478 E479 | L469-S473 VanDerWaalsContact O-CB 3.3Å; L469-S473 WeakPolarHBondContact O-CB 3.42Å; L469-S473 PolarHBondContact O-N 2.93Å; L469-S473 PolarHBondContact O-OG 3.25Å; S473-H475 VanDerWaalsContact C-N 3.34Å; S473-H475 PolarHBondContact O-N 2.86Å; S473-L477 CarbonylContact O-C 3.55Å; S473-L477 VanDerWaalsContact O-CA 3.3Å; S473-L477 WeakPolarHBondContact O-CA 3.31Å; S473-L477 VanDerWaalsContact O-CB 3.23Å; S473-L477 WeakPolarHBondContact O-CB 3.33Å; S473-L477 PolarHBondContact O-N 3.4Å; S473-Q478 PolarHBondContact O-N 2.82Å; S473-E479 CarbonylContact C-O 3.58Å |
| 474 | F | 88.4 | Confident | 85.2 | Confident | 94 Ų | 94 | 41.7 Ų | 41.7 | 41% | 0.412 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63.1 | -42.4 | 176.4 | -179.4 | -106.4 | 0 | 0 | 0 | 111.7 | N470 Q478 E479 Q480 | N470-F474 WeakPolarHBondContact O-CB 3.15Å; N470-F474 PolarHBondContact O-N 3.43Å; F474-Q478 VanDerWaalsContact O-CA 3.26Å; F474-Q478 WeakPolarHBondContact O-CA 3.39Å; F474-Q478 PolarHBondContact O-N 2.88Å; F474-Q478 VanDerWaalsContact O-N 3.12Å; F474-Q478 PolarHBondContact O-NE2 2.86Å; F474-E479 WeakPolarHBondContact CA-O 3.48Å; F474-E479 PolarHBondContact N-O 3.47Å; F474-Q480 HydrophobicContact CB-CG 4.4Å; F474-Q480 HydrophobicContact CD2-CG 3.62Å; F474-Q480 HydrophobicContact CE2-CG 4.31Å; F474-Q480 HydrophobicContact CG-CG 4.3Å |
| 475 | H | 86.6 | Confident | 85.1 | Confident | 106 Ų | 106 | 42.9 Ų | 42.9 | 49% | 0.491 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64.4 | -44.6 | -178.7 | -174.4 | 62.7 | 0 | 0 | 0 | 113.2 | A471 V472 S473 Q478 | A471-H475 VanDerWaalsContact O-CB 3.3Å; A471-H475 WeakPolarHBondContact O-CB 3.1Å; A471-H475 PolarHBondContact O-N 2.93Å; V472-H475 PolarHBondContact O-N 3.24Å; S473-H475 VanDerWaalsContact C-N 3.34Å; S473-H475 PolarHBondContact O-N 2.86Å; H475-Q478 PolarHBondContact O-NE2 3.11Å |
| 476 | F | 89.2 | Confident | 85.2 | Confident | 32 Ų | 32 | 40.1 Ų | 40.1 | 14% | 0.14 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -99.6 | -33 | -172.3 | -65.3 | -63.6 | 0 | 0 | 0 | 114.4 | L458 Y462 L464 V472 L517 K520 L521 | L458-F476 HydrophobicContact CD2-CE2 3.82Å; L458-F476 HydrophobicContact CD2-CZ 4.34Å; Y462-F476 HydrophobicContact CD1-CE1 4.11Å; Y462-F476 AromaticContact CD1-CZ 3.74Å; Y462-F476 HydrophobicContact CD1-CZ 3.74Å; Y462-F476 HydrophobicContact CE1-CE1 4.03Å; Y462-F476 HydrophobicContact CE1-CZ 4.01Å; Y462-F476 HydrophobicContact CG-CZ 4.07Å; L464-F476 HydrophobicContact CD1-CE2 3.89Å; L464-F476 HydrophobicContact CD1-CZ 4.22Å; L464-F476 HydrophobicContact CD2-CZ 4.13Å; V472-F476 HydrophobicContact CB-CD2 4.31Å; V472-F476 HydrophobicContact CB-CE2 4.45Å; V472-F476 VanDerWaalsContact O-CD2 3.27Å; V472-F476 WeakPolarHBondContact O-CD2 3.39Å; V472-F476 PolarHBondContact O-N 3.01Å; F476-L517 HydrophobicContact CB-CD2 3.83Å; F476-L517 HydrophobicContact CD2-CD2 4.07Å; F476-L517 HydrophobicContact CG-CD2 4.4Å; F476-K520 HydrophobicContact CB-CG 4.45Å; F476-K520 VanDerWaalsContact O-CE 3.32Å; F476-K520 WeakPolarHBondContact O-CE 3.39Å; F476-L521 HydrophobicContact CD1-CD2 3.63Å; F476-L521 HydrophobicContact CD2-CD1 4.45Å; F476-L521 HydrophobicContact CD2-CD2 4.38Å; F476-L521 HydrophobicContact CE1-CD2 3.7Å; F476-L521 HydrophobicContact CE2-CD1 4.33Å; F476-L521 HydrophobicContact CE2-CD2 4.44Å; F476-L521 HydrophobicContact CG-CD2 3.98Å; F476-L521 HydrophobicContact CZ-CD2 4.11Å |
| 477 | L | 90.2 | Very high | 85 | Confident | 28 Ų | 28 | 41.3 Ų | 41.3 | 15% | 0.147 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -102.7 | -14.8 | -177.9 | -52.9 | 179.2 | 0 | 0 | 0 | 112.9 | S473 E479 L513 R516 L517 K520 | S473-L477 CarbonylContact O-C 3.55Å; S473-L477 VanDerWaalsContact O-CA 3.3Å; S473-L477 WeakPolarHBondContact O-CA 3.31Å; S473-L477 VanDerWaalsContact O-CB 3.23Å; S473-L477 WeakPolarHBondContact O-CB 3.33Å; S473-L477 PolarHBondContact O-N 3.4Å; L477-E479 HydrophobicContact CB-CB 4.22Å; L477-E479 HydrophobicContact CB-CG 4.25Å; L477-E479 PolarHBondContact O-N 2.99Å; L477-L513 HydrophobicContact CD1-CD2 4.08Å; L477-R516 HydrophobicContact CD1-CB 4.06Å; L477-L517 HydrophobicContact CD1-CD2 4.04Å; L477-L517 HydrophobicContact CD1-CG 4.05Å; L477-L517 HydrophobicContact CD2-CD2 4.3Å; L477-L517 HydrophobicContact CG-CD2 3.84Å; L477-L517 HydrophobicContact CG-CG 4.39Å; L477-K520 HydrophobicContact CD2-CB 3.86Å; L477-K520 HydrophobicContact CD2-CG 3.94Å |
| 478 | Q | 84.6 | Confident | 84.9 | Confident | 135 Ų | 135 | 41.8 Ų | 41.8 | 63% | 0.631 | 21% | 0.209 | S | C | * | . | S | Bend | trans | 61.4 | 25.5 | -169.5 | -55.3 | -61.6 | -53.1 | 0 | 0 | 113.1 | S473 F474 H475 | S473-Q478 PolarHBondContact O-N 2.82Å; F474-Q478 VanDerWaalsContact O-CA 3.26Å; F474-Q478 WeakPolarHBondContact O-CA 3.39Å; F474-Q478 PolarHBondContact O-N 2.88Å; F474-Q478 VanDerWaalsContact O-N 3.12Å; F474-Q478 PolarHBondContact O-NE2 2.86Å; H475-Q478 PolarHBondContact O-NE2 3.11Å |
| 479 | E | 82.9 | Confident | 84.9 | Confident | 56 Ų | 56 | 39.1 Ų | 39.1 | 26% | 0.262 | 19% | 0.193 | S | C | . | . | trans | -116.3 | 137.2 | 179.8 | -68.4 | 176.2 | -149.5 | 0 | 0 | 110.3 | S473 F474 L477 R516 | S473-E479 CarbonylContact C-O 3.58Å; F474-E479 WeakPolarHBondContact CA-O 3.48Å; F474-E479 PolarHBondContact N-O 3.47Å; L477-E479 HydrophobicContact CB-CB 4.22Å; L477-E479 HydrophobicContact CB-CG 4.25Å; L477-E479 PolarHBondContact O-N 2.99Å; E479-R516 IonicContact OE1-CZ 3.4Å; E479-R516 IonicContact OE1-NH1 3.04Å; E479-R516 PolarHBondContact OE1-NH1 2.78Å; E479-R516 IonicContact OE1-NH2 2.65Å; E479-R516 PolarHBondContact OE1-NH2 3.21Å; E479-R516 IonicContact OE2-CZ 2.79Å; E479-R516 IonicContact OE2-NH1 2.61Å; E479-R516 PolarHBondContact OE2-NH1 3.1Å | ||
| 480 | Q | 79.6 | Confident | 84.9 | Confident | 69 Ų | 69 | 39.8 Ų | 39.8 | 32% | 0.322 | 20% | 0.197 | S | C | . | . | trans | -101.1 | 158.1 | 171.3 | -64.5 | -173.3 | -23.4 | 0 | 0 | 109.5 | F474 C1053 | F474-Q480 HydrophobicContact CB-CG 4.4Å; F474-Q480 HydrophobicContact CD2-CG 3.62Å; F474-Q480 HydrophobicContact CE2-CG 4.31Å; F474-Q480 HydrophobicContact CG-CG 4.3Å; Q480-C1053 WeakPolarHBondContact CB-SG 3.46Å | ||
| 481 | K | 81.7 | Confident | 85 | Confident | 13 Ų | 13 | 43.3 Ų | 43.3 | 6% | 0.057 | 22% | 0.216 | C | C | . | . | trans | -119.4 | 155.5 | 169.9 | 69.1 | 160.2 | -163.6 | 148.5 | 0 | 111.1 | N470 D483 Y506 D510 L513 | N470-K481 HydrophobicContact CB-CD 4.48Å; N470-K481 HydrophobicContact CB-CG 3.77Å; N470-K481 PolarHBondContact OD1-N 2.92Å; N470-K481 PolarHBondContact OD1-O 2.98Å; K481-D483 PolarHBondContact O-N 3.37Å; K481-Y506 PolarHBondContact NZ-OH 3.37Å; K481-Y506 VanDerWaalsContact NZ-OH 3.11Å; K481-D510 WeakPolarHBondContact CD-OD1 3.4Å; K481-D510 WeakPolarHBondContact CE-OD1 3.15Å; K481-D510 IonicContact NZ-OD1 3.15Å; K481-D510 PolarHBondContact NZ-OD1 3.06Å; K481-D510 IonicContact NZ-OD2 2.69Å; K481-D510 PolarHBondContact NZ-OD2 2.91Å; K481-L513 HydrophobicContact CB-CD1 4.32Å; K481-L513 HydrophobicContact CD-CD1 4.19Å | ||
| 482 | E | 79 | Confident | 85.2 | Confident | 25 Ų | 25 | 43.6 Ų | 43.6 | 12% | 0.117 | 22% | 0.215 | C | C | . | . | trans | -61.9 | 130.4 | 160.7 | -174.3 | 172.2 | -147.2 | 0 | 0 | 108.7 | V484 R502 Y506 I1062 C1063 | E482-V484 HydrophobicContact CG-CG2 4.17Å; E482-R502 IonicContact OE1-CZ 3.14Å; E482-R502 IonicContact OE1-NH2 3.73Å; E482-R502 PolarHBondContact OE1-NH2 3.01Å; E482-R502 IonicContact OE2-NE 3.83Å; E482-R502 IonicContact OE2-NH2 2.49Å; E482-Y506 VanDerWaalsContact O-CE2 3.25Å; E482-Y506 WeakPolarHBondContact O-CE2 3.48Å; E482-I1062 VanDerWaalsContact OE1-CG1 3.28Å; E482-I1062 WeakPolarHBondContact OE1-CG1 3.46Å; E482-C1063 HydrophobicContact CG-CB 4.13Å | ||
| 483 | D | 79.5 | Confident | 85.4 | Confident | 42 Ų | 42 | 44.2 Ų | 44.2 | 23% | 0.225 | 22% | 0.218 | C | C | . | . | trans | -109.3 | 96.3 | 179.7 | -168.3 | 44.5 | 0 | 0 | 0 | 109.2 | K481 C1063 T1064 S1065 | K481-D483 PolarHBondContact O-N 3.37Å; D483-C1063 CarbonylContact O-C 3.43Å; D483-C1063 WeakPolarHBondContact O-CA 3.26Å; D483-T1064 PolarHBondContact O-N 2.87Å; D483-T1064 PolarHBondContact O-OG1 3.38Å; D483-S1065 VanDerWaalsContact OD2-CA 3.27Å; D483-S1065 WeakPolarHBondContact OD2-CA 3.3Å; D483-S1065 PolarHBondContact OD2-N 3.26Å | ||
| 484 | V | 82.7 | Confident | 85.5 | Confident | 11 Ų | 11 | 50.1 Ų | 50.1 | 7% | 0.067 | 25% | 0.25 | C | C | . | . | trans | -80.1 | 120.4 | -175.9 | -179.4 | 0 | 0 | 0 | 0 | 109.2 | E482 I488 I489 L492 Y506 I1062 | E482-V484 HydrophobicContact CG-CG2 4.17Å; V484-I488 HydrophobicContact CG1-CG2 3.42Å; V484-I488 VanDerWaalsContact CG1-CG2 3.42Å; V484-I489 HydrophobicContact CG1-CG1 4.38Å; V484-L492 HydrophobicContact CG1-CD1 4.3Å; V484-Y506 HydrophobicContact CB-CD1 4.29Å; V484-Y506 HydrophobicContact CB-CD2 4.19Å; V484-Y506 HydrophobicContact CB-CE1 4.06Å; V484-Y506 HydrophobicContact CB-CE2 3.98Å; V484-Y506 HydrophobicContact CB-CG 4.36Å; V484-Y506 HydrophobicContact CG2-CD1 4.22Å; V484-Y506 HydrophobicContact CG2-CD2 3.58Å; V484-Y506 HydrophobicContact CG2-CE1 4.4Å; V484-Y506 HydrophobicContact CG2-CE2 3.82Å; V484-Y506 HydrophobicContact CG2-CG 3.82Å; V484-I1062 HydrophobicContact CG1-CD1 4.11Å; V484-I1062 HydrophobicContact CG2-CD1 4.14Å; V484-I1062 HydrophobicContact CG2-CG1 4.49Å | ||
| 485 | H | 79.2 | Confident | 85.7 | Confident | 42 Ų | 42 | 47.4 Ų | 47.4 | 19% | 0.194 | 25% | 0.249 | C | C | . | . | trans | -71.7 | 138.7 | -179.9 | -163.6 | -102.1 | 0 | 0 | 0 | 111.1 | S487 I488 T1064 | H485-S487 WeakPolarHBondContact ND1-CB 3.16Å; H485-S487 PolarHBondContact ND1-N 3.18Å; H485-S487 PolarHBondContact ND1-OG 2.91Å; H485-S487 PolarHBondContact O-N 3.31Å; H485-I488 WeakPolarHBondContact O-CG2 3.47Å; H485-I488 PolarHBondContact O-N 2.97Å; H485-T1064 HydrophobicContact CB-CG2 3.7Å; H485-T1064 WeakPolarHBondContact CB-OG1 3.41Å | ||
| 486 | F | 75.8 | Confident | 86.1 | Confident | 35 Ų | 35 | 46.8 Ų | 46.8 | 15% | 0.154 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -54.9 | -24.8 | -177.2 | 66.3 | -94.2 | 0 | 0 | 0 | 114.7 | I488 I489 | F486-I488 VanDerWaalsContact C-N 3.3Å; F486-I488 PolarHBondContact O-N 3.21Å; F486-I489 HydrophobicContact CB-CD1 4.14Å |
| 487 | S | 77 | Confident | 86.4 | Confident | 48 Ų | 48 | 49.4 Ų | 49.4 | 34% | 0.336 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -69.3 | -21.8 | 179.1 | 63.1 | 0 | 0 | 0 | 0 | 114.9 | H485 | H485-S487 WeakPolarHBondContact ND1-CB 3.16Å; H485-S487 PolarHBondContact ND1-N 3.18Å; H485-S487 PolarHBondContact ND1-OG 2.91Å; H485-S487 PolarHBondContact O-N 3.31Å |
| 488 | I | 84.7 | Confident | 86.5 | Confident | 46 Ų | 46 | 52.4 Ų | 52.4 | 24% | 0.236 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -95.9 | -17 | -179.5 | -155.2 | 170.2 | 0 | 0 | 0 | 112.5 | V484 H485 F486 T490 D491 L492 I1062 | V484-I488 HydrophobicContact CG1-CG2 3.42Å; V484-I488 VanDerWaalsContact CG1-CG2 3.42Å; H485-I488 WeakPolarHBondContact O-CG2 3.47Å; H485-I488 PolarHBondContact O-N 2.97Å; F486-I488 VanDerWaalsContact C-N 3.3Å; F486-I488 PolarHBondContact O-N 3.21Å; I488-T490 VanDerWaalsContact C-N 3.28Å; I488-T490 PolarHBondContact O-N 3.02Å; I488-D491 HydrophobicContact CG1-CB 4.43Å; I488-D491 WeakPolarHBondContact O-CA 3.24Å; I488-D491 PolarHBondContact O-N 2.86Å; I488-L492 HydrophobicContact CG2-CD1 4.23Å; I488-L492 PolarHBondContact O-N 2.77Å; I488-I1062 HydrophobicContact CD1-CB 4.02Å; I488-I1062 HydrophobicContact CD1-CD1 4.09Å; I488-I1062 HydrophobicContact CD1-CG2 3.74Å; I488-I1062 HydrophobicContact CG2-CD1 4.09Å |
| 489 | I | 90 | Very high | 86.8 | Confident | 7 Ų | 7 | 47 Ų | 47 | 4% | 0.036 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -52.7 | -48.3 | -179.8 | -65.3 | 174.8 | 0 | 0 | 0 | 110.8 | E305 C306 I322 V484 F486 D491 L492 Q493 L503 | E305-I489 WeakPolarHBondContact OE2-CD1 3.44Å; C306-I489 WeakPolarHBondContact O-CG2 3.42Å; I322-I489 HydrophobicContact CD1-CG2 3.57Å; V484-I489 HydrophobicContact CG1-CG1 4.38Å; F486-I489 HydrophobicContact CB-CD1 4.14Å; I489-D491 VanDerWaalsContact C-N 3.29Å; I489-D491 PolarHBondContact O-N 2.68Å; I489-L492 PolarHBondContact O-N 3.23Å; I489-Q493 WeakPolarHBondContact O-CB 3.45Å; I489-Q493 PolarHBondContact O-N 2.97Å; I489-L503 HydrophobicContact CG1-CD1 4.24Å; I489-L503 HydrophobicContact CG2-CD1 4.27Å; I489-L503 HydrophobicContact CG2-CD2 3.9Å |
| 490 | T | 91.7 | Very high | 87.4 | Confident | 25 Ų | 25 | 45 Ų | 45 | 15% | 0.153 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.5 | -34.1 | 179.5 | -56.5 | 0 | 0 | 0 | 0 | 112.3 | A307 G308 I488 N494 | A307-T490 WeakPolarHBondContact CA-OG1 3.33Å; A307-T490 HydrophobicContact CB-CG2 4.46Å; G308-T490 PolarHBondContact N-OG1 3.48Å; G308-T490 PolarHBondContact O-OG1 2.91Å; I488-T490 VanDerWaalsContact C-N 3.28Å; I488-T490 PolarHBondContact O-N 3.02Å; T490-N494 WeakPolarHBondContact CG2-ND2 3.26Å; T490-N494 WeakPolarHBondContact O-CB 3.45Å; T490-N494 VanDerWaalsContact O-CG 3.23Å; T490-N494 PolarHBondContact O-N 3.19Å; T490-N494 VanDerWaalsContact O-N 3.12Å; T490-N494 PolarHBondContact O-ND2 3.23Å |
| 491 | D | 91.5 | Very high | 88.1 | Confident | 79 Ų | 79 | 43.4 Ų | 43.4 | 42% | 0.422 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -71.9 | -38.8 | 177.3 | -66.7 | -21.7 | 0 | 0 | 0 | 110.3 | K310 I488 I489 G495 | K310-D491 WeakPolarHBondContact CE-OD1 3.29Å; K310-D491 IonicContact NZ-OD1 3.06Å; K310-D491 PolarHBondContact NZ-OD1 2.95Å; K310-D491 IonicContact NZ-OD2 3.36Å; K310-D491 PolarHBondContact NZ-OD2 3.23Å; I488-D491 HydrophobicContact CG1-CB 4.43Å; I488-D491 WeakPolarHBondContact O-CA 3.24Å; I488-D491 PolarHBondContact O-N 2.86Å; I489-D491 VanDerWaalsContact C-N 3.29Å; I489-D491 PolarHBondContact O-N 2.68Å; D491-G495 PolarHBondContact O-N 3.28Å |
| 492 | L | 92.1 | Very high | 88.5 | Confident | 22 Ų | 22 | 44.4 Ų | 44.4 | 12% | 0.115 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.7 | -42.1 | 173.5 | -70 | 173.6 | 0 | 0 | 0 | 112.3 | V484 I488 I489 N494 G495 S499 L503 I1062 | V484-L492 HydrophobicContact CG1-CD1 4.3Å; I488-L492 HydrophobicContact CG2-CD1 4.23Å; I488-L492 PolarHBondContact O-N 2.77Å; I489-L492 PolarHBondContact O-N 3.23Å; L492-N494 PolarHBondContact O-N 3.38Å; L492-G495 PolarHBondContact O-N 3.25Å; L492-S499 VanDerWaalsContact O-CB 3.32Å; L492-S499 WeakPolarHBondContact O-CB 3.3Å; L492-S499 PolarHBondContact O-OG 3.08Å; L492-L503 HydrophobicContact CD1-CD1 4.37Å; L492-I1062 HydrophobicContact CD1-CD1 4.14Å |
| 493 | Q | 94.9 | Very high | 89.1 | Confident | 13 Ų | 13 | 43.3 Ų | 43.3 | 6% | 0.061 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.9 | -43.2 | 177.4 | 177.4 | 61 | 22.2 | 0 | 0 | 112 | I322 L344 I489 G495 R500 | I322-Q493 HydrophobicContact CB-CG 4.37Å; I322-Q493 HydrophobicContact CD1-CB 3.81Å; I322-Q493 HydrophobicContact CD1-CG 3.97Å; I322-Q493 HydrophobicContact CG2-CG 4.07Å; L344-Q493 PolarHBondContact O-NE2 3.49Å; I489-Q493 WeakPolarHBondContact O-CB 3.45Å; I489-Q493 PolarHBondContact O-N 2.97Å; Q493-G495 PolarHBondContact O-N 2.86Å; Q493-R500 WeakPolarHBondContact O-CD 3.16Å; Q493-R500 PolarHBondContact O-NH1 3.42Å |
| 494 | N | 94.3 | Very high | 89.8 | Confident | 124 Ų | 124 | 41.3 Ų | 41.3 | 66% | 0.663 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -2.1 | -178.6 | -70 | -35.3 | 0 | 0 | 0 | 114 | T490 L492 | T490-N494 WeakPolarHBondContact CG2-ND2 3.26Å; T490-N494 WeakPolarHBondContact O-CB 3.45Å; T490-N494 VanDerWaalsContact O-CG 3.23Å; T490-N494 PolarHBondContact O-N 3.19Å; T490-N494 VanDerWaalsContact O-N 3.12Å; T490-N494 PolarHBondContact O-ND2 3.23Å; L492-N494 PolarHBondContact O-N 3.38Å |
| 495 | G | 93.4 | Very high | 90.2 | Very high | 38 Ų | 38 | 41.7 Ų | 41.7 | 39% | 0.392 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -76.8 | -141 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | D491 L492 Q493 S499 R500 | D491-G495 PolarHBondContact O-N 3.28Å; L492-G495 PolarHBondContact O-N 3.25Å; Q493-G495 PolarHBondContact O-N 2.86Å; G495-S499 VanDerWaalsContact CA-OG 3.23Å; G495-S499 WeakPolarHBondContact CA-OG 3.46Å; G495-R500 PolarHBondContact O-NH1 3.02Å |
| 496 | N | 94.8 | Very high | 90.7 | Very high | 92 Ų | 92 | 41 Ų | 41 | 49% | 0.492 | 22% | 0.218 | S | C | . | . | trans | -101.4 | -173.4 | 179.6 | 63.2 | 23.3 | 0 | 0 | 0 | 111.2 | H498 S499 R500 | N496-H498 PolarHBondContact O-N 3.46Å; N496-H498 WeakPolarHBondContact OD1-CB 3.5Å; N496-H498 PolarHBondContact OD1-N 2.94Å; N496-S499 PolarHBondContact N-OG 3.14Å; N496-S499 PolarHBondContact O-N 3.43Å; N496-S499 PolarHBondContact O-OG 3.47Å; N496-S499 PolarHBondContact OD1-N 3.34Å; N496-R500 PolarHBondContact O-N 2.68Å | ||
| 497 | E | 94.1 | Very high | 91.7 | Very high | 88 Ų | 88 | 39.3 Ų | 39.3 | 41% | 0.411 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.8 | -26.5 | 179.2 | 61.5 | -170.7 | -163.9 | 0 | 0 | 113.8 | A348 R501 | A348-E497 HydrophobicContact CB-CB 4.31Å; A348-E497 HydrophobicContact CB-CG 4.11Å; A348-E497 PolarHBondContact N-O 3.11Å; E497-R501 VanDerWaalsContact O-CB 3.32Å; E497-R501 WeakPolarHBondContact O-CB 3.39Å; E497-R501 PolarHBondContact O-N 2.92Å |
| 498 | H | 92.8 | Very high | 92.5 | Very high | 90 Ų | 90 | 37 Ų | 37 | 42% | 0.417 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -77.2 | -37.6 | 176 | -64.2 | -93.3 | 0 | 0 | 0 | 112.3 | N496 R500 R501 R502 | N496-H498 PolarHBondContact O-N 3.46Å; N496-H498 WeakPolarHBondContact OD1-CB 3.5Å; N496-H498 PolarHBondContact OD1-N 2.94Å; H498-R500 VanDerWaalsContact C-N 3.32Å; H498-R500 PolarHBondContact O-N 2.87Å; H498-R501 WeakPolarHBondContact O-CB 3.34Å; H498-R501 PolarHBondContact O-N 3.43Å; H498-R502 PolarHBondContact O-N 2.89Å |
| 499 | S | 92 | Very high | 92.9 | Very high | 22 Ų | 22 | 36.8 Ų | 36.8 | 15% | 0.154 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.6 | -35.4 | 174.4 | 65.2 | 0 | 0 | 0 | 0 | 111.9 | L492 G495 N496 R502 L503 | L492-S499 VanDerWaalsContact O-CB 3.32Å; L492-S499 WeakPolarHBondContact O-CB 3.3Å; L492-S499 PolarHBondContact O-OG 3.08Å; G495-S499 VanDerWaalsContact CA-OG 3.23Å; G495-S499 WeakPolarHBondContact CA-OG 3.46Å; N496-S499 PolarHBondContact N-OG 3.14Å; N496-S499 PolarHBondContact O-N 3.43Å; N496-S499 PolarHBondContact O-OG 3.47Å; N496-S499 PolarHBondContact OD1-N 3.34Å; S499-R502 PolarHBondContact O-N 3.38Å; S499-L503 PolarHBondContact O-N 3.46Å |
| 500 | R | 94.8 | Very high | 93.1 | Very high | 15 Ų | 15 | 36.9 Ų | 36.9 | 6% | 0.057 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68.1 | -37.7 | 171 | -74.3 | -173.1 | -69.5 | -85.1 | 2.1 | 112.3 | Q323 D345 T346 Q493 G495 N496 H498 L503 A504 | Q323-R500 PolarHBondContact NE2-O 3.06Å; D345-R500 IonicContact OD2-CZ 3.27Å; D345-R500 IonicContact OD2-NH2 2.76Å; T346-R500 PolarHBondContact O-NE 3.06Å; T346-R500 PolarHBondContact O-NH2 3.2Å; T346-R500 PolarHBondContact OG1-NH2 2.99Å; Q493-R500 WeakPolarHBondContact O-CD 3.16Å; Q493-R500 PolarHBondContact O-NH1 3.42Å; G495-R500 PolarHBondContact O-NH1 3.02Å; N496-R500 PolarHBondContact O-N 2.68Å; H498-R500 VanDerWaalsContact C-N 3.32Å; H498-R500 PolarHBondContact O-N 2.87Å; R500-L503 PolarHBondContact O-N 3.41Å; R500-A504 WeakPolarHBondContact O-CB 3.3Å; R500-A504 PolarHBondContact O-N 3.19Å |
| 501 | R | 93.1 | Very high | 93.4 | Very high | 35 Ų | 35 | 35.7 Ų | 35.7 | 13% | 0.132 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59 | -45.8 | 171.6 | -177.5 | -167.1 | -177.2 | -78.7 | -2.3 | 112.3 | E38 C347 A348 P349 I350 E497 H498 L503 A504 V505 | E38-R501 IonicContact OE1-CZ 3.05Å; E38-R501 IonicContact OE1-NH1 3.62Å; E38-R501 PolarHBondContact OE1-NH1 3.03Å; E38-R501 IonicContact OE1-NH2 3.83Å; E38-R501 PolarHBondContact OE1-NH2 3.19Å; C347-R501 WeakPolarHBondContact SG-CA 3.23Å; A348-R501 HydrophobicContact CB-CB 4.09Å; A348-R501 HydrophobicContact CB-CG 4.34Å; P349-R501 PolarHBondContact O-NE 3.11Å; I350-R501 HydrophobicContact CD1-CG 4.27Å; I350-R501 HydrophobicContact CG1-CG 3.75Å; E497-R501 VanDerWaalsContact O-CB 3.32Å; E497-R501 WeakPolarHBondContact O-CB 3.39Å; E497-R501 PolarHBondContact O-N 2.92Å; H498-R501 WeakPolarHBondContact O-CB 3.34Å; H498-R501 PolarHBondContact O-N 3.43Å; R501-L503 VanDerWaalsContact C-N 3.33Å; R501-L503 PolarHBondContact O-N 3.48Å; R501-A504 WeakPolarHBondContact O-CA 3.29Å; R501-A504 WeakPolarHBondContact O-CB 3.32Å; R501-A504 PolarHBondContact O-N 3.12Å; R501-V505 WeakPolarHBondContact O-CG2 3.4Å; R501-V505 PolarHBondContact O-N 3.04Å |
| 502 | R | 90.2 | Very high | 93.6 | Very high | 34 Ų | 34 | 32.6 Ų | 32.6 | 13% | 0.128 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.7 | -44.3 | 176.2 | -177.5 | 176.6 | 175.4 | 173.3 | 0.5 | 112.1 | E482 H498 S499 A504 V505 Y506 E1059 E1060 | E482-R502 IonicContact OE1-CZ 3.14Å; E482-R502 IonicContact OE1-NH2 3.73Å; E482-R502 PolarHBondContact OE1-NH2 3.01Å; E482-R502 IonicContact OE2-NE 3.83Å; E482-R502 IonicContact OE2-NH2 2.49Å; H498-R502 PolarHBondContact O-N 2.89Å; S499-R502 PolarHBondContact O-N 3.38Å; R502-A504 VanDerWaalsContact C-N 3.3Å; R502-A504 PolarHBondContact O-N 2.77Å; R502-V505 PolarHBondContact O-N 2.76Å; R502-Y506 PolarHBondContact O-N 3.03Å; R502-Y506 VanDerWaalsContact O-N 3.14Å; R502-E1059 IonicContact CZ-OE2 2.82Å; R502-E1059 VanDerWaalsContact CZ-OE2 3.3Å; R502-E1059 IonicContact NE-OE2 3.32Å; R502-E1059 PolarHBondContact NE-OE2 3.26Å; R502-E1059 IonicContact NH1-OE2 2.73Å; R502-E1059 IonicContact NH2-OE2 2.67Å; R502-E1060 PolarHBondContact NH1-O 2.86Å; R502-E1060 PolarHBondContact NH2-O 3.12Å |
| 503 | L | 92.5 | Very high | 93.7 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.2 | -38.3 | 174.8 | -173.9 | 67.4 | 0 | 0 | 0 | 111.6 | E305 I322 Q323 I489 L492 S499 R500 R501 Y506 C507 | E305-L503 HydrophobicContact CB-CD2 4.38Å; E305-L503 HydrophobicContact CG-CD1 4.18Å; E305-L503 HydrophobicContact CG-CG 4.32Å; I322-L503 HydrophobicContact CD1-CD2 3.5Å; I322-L503 VanDerWaalsContact CD1-CD2 3.5Å; I322-L503 HydrophobicContact CG1-CD2 4.49Å; Q323-L503 HydrophobicContact CG-CD2 4.43Å; Q323-L503 PolarHBondContact OE1-O 2.97Å; I489-L503 HydrophobicContact CG1-CD1 4.24Å; I489-L503 HydrophobicContact CG2-CD1 4.27Å; I489-L503 HydrophobicContact CG2-CD2 3.9Å; L492-L503 HydrophobicContact CD1-CD1 4.37Å; S499-L503 PolarHBondContact O-N 3.46Å; R500-L503 PolarHBondContact O-N 3.41Å; R501-L503 VanDerWaalsContact C-N 3.33Å; R501-L503 PolarHBondContact O-N 3.48Å; L503-Y506 HydrophobicContact CD1-CD1 4.19Å; L503-Y506 WeakPolarHBondContact O-CB 3.42Å; L503-Y506 PolarHBondContact O-N 3.41Å; L503-C507 PolarHBondContact O-N 3.28Å |
| 504 | A | 93.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.3 | -42.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | I341 V343 I350 R500 R501 R502 Y506 C507 L508 | I341-A504 VanDerWaalsContact CD1-CA 3.42Å; I341-A504 HydrophobicContact CD1-CB 3.37Å; I341-A504 HydrophobicContact CG1-CB 4.48Å; I341-A504 HydrophobicContact CG2-CB 4.43Å; V343-A504 HydrophobicContact CG1-CB 4.37Å; I350-A504 HydrophobicContact CD1-CB 3.61Å; R500-A504 WeakPolarHBondContact O-CB 3.3Å; R500-A504 PolarHBondContact O-N 3.19Å; R501-A504 WeakPolarHBondContact O-CA 3.29Å; R501-A504 WeakPolarHBondContact O-CB 3.32Å; R501-A504 PolarHBondContact O-N 3.12Å; R502-A504 VanDerWaalsContact C-N 3.3Å; R502-A504 PolarHBondContact O-N 2.77Å; A504-Y506 VanDerWaalsContact C-N 3.29Å; A504-Y506 PolarHBondContact O-N 2.92Å; A504-C507 PolarHBondContact O-N 3.36Å; A504-L508 WeakPolarHBondContact O-CB 3.31Å; A504-L508 WeakPolarHBondContact O-CD1 3.33Å; A504-L508 VanDerWaalsContact O-CG 3.26Å; A504-L508 WeakPolarHBondContact O-CG 3.47Å; A504-L508 PolarHBondContact O-N 2.93Å |
| 505 | V | 91.4 | Very high | 93.9 | Very high | 19 Ų | 19 | 25.4 Ų | 25.4 | 12% | 0.115 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.8 | -40.7 | 173.5 | 173.9 | 0 | 0 | 0 | 0 | 111 | F37 E38 I350 R501 R502 L508 K509 | F37-V505 HydrophobicContact CD1-CG1 4.07Å; F37-V505 HydrophobicContact CE1-CG1 4.49Å; E38-V505 HydrophobicContact CG-CG1 4.26Å; E38-V505 HydrophobicContact CG-CG2 4.34Å; I350-V505 HydrophobicContact CD1-CG2 4.01Å; I350-V505 HydrophobicContact CG1-CG2 4.25Å; I350-V505 HydrophobicContact CG2-CG2 4.2Å; R501-V505 WeakPolarHBondContact O-CG2 3.4Å; R501-V505 PolarHBondContact O-N 3.04Å; R502-V505 PolarHBondContact O-N 2.76Å; V505-L508 PolarHBondContact O-N 2.78Å; V505-K509 PolarHBondContact O-N 2.75Å |
| 506 | Y | 90.5 | Very high | 94 | Very high | 28 Ų | 28 | 26.7 Ų | 26.7 | 11% | 0.11 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.7 | -50.7 | 174.7 | 166.9 | -100.8 | 0 | 0 | 0 | 112.2 | E305 K481 E482 V484 R502 L503 A504 L508 K509 D510 | E305-Y506 WeakPolarHBondContact OE1-CE1 3.49Å; K481-Y506 PolarHBondContact NZ-OH 3.37Å; K481-Y506 VanDerWaalsContact NZ-OH 3.11Å; E482-Y506 VanDerWaalsContact O-CE2 3.25Å; E482-Y506 WeakPolarHBondContact O-CE2 3.48Å; V484-Y506 HydrophobicContact CB-CD1 4.29Å; V484-Y506 HydrophobicContact CB-CD2 4.19Å; V484-Y506 HydrophobicContact CB-CE1 4.06Å; V484-Y506 HydrophobicContact CB-CE2 3.98Å; V484-Y506 HydrophobicContact CB-CG 4.36Å; V484-Y506 HydrophobicContact CG2-CD1 4.22Å; V484-Y506 HydrophobicContact CG2-CD2 3.58Å; V484-Y506 HydrophobicContact CG2-CE1 4.4Å; V484-Y506 HydrophobicContact CG2-CE2 3.82Å; V484-Y506 HydrophobicContact CG2-CG 3.82Å; R502-Y506 PolarHBondContact O-N 3.03Å; R502-Y506 VanDerWaalsContact O-N 3.14Å; L503-Y506 HydrophobicContact CD1-CD1 4.19Å; L503-Y506 WeakPolarHBondContact O-CB 3.42Å; L503-Y506 PolarHBondContact O-N 3.41Å; A504-Y506 VanDerWaalsContact C-N 3.29Å; A504-Y506 PolarHBondContact O-N 2.92Å; Y506-L508 PolarHBondContact O-N 3.25Å; Y506-K509 WeakPolarHBondContact O-CB 3.19Å; Y506-K509 PolarHBondContact O-N 2.83Å; Y506-K509 VanDerWaalsContact O-N 3.16Å; Y506-D510 PolarHBondContact O-N 3.1Å; Y506-D510 VanDerWaalsContact O-N 3.08Å; Y506-D510 PolarHBondContact OH-OD2 3.28Å |
| 507 | C | 95.1 | Very high | 94 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.5 | -39.4 | 178.4 | -171.6 | 0 | 0 | 0 | 0 | 112.2 | D303 E305 A325 I341 L503 A504 K509 D510 A511 | D303-C507 PolarHBondContact O-SG 3.33Å; D303-C507 PolarHBondContact OD2-SG 2.96Å; E305-C507 HydrophobicContact CG-CB 3.84Å; A325-C507 HydrophobicContact CB-CB 4.11Å; A325-C507 WeakPolarHBondContact CB-O 3.08Å; A325-C507 WeakPolarHBondContact CB-SG 3.3Å; I341-C507 HydrophobicContact CD1-CB 4.27Å; L503-C507 PolarHBondContact O-N 3.28Å; A504-C507 PolarHBondContact O-N 3.36Å; C507-K509 VanDerWaalsContact C-N 3.32Å; C507-K509 PolarHBondContact O-N 3.25Å; C507-D510 PolarHBondContact O-N 3.24Å; C507-D510 VanDerWaalsContact O-N 3.15Å; C507-A511 PolarHBondContact O-N 3.4Å |
| 508 | L | 94.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -60.3 | -40.2 | 172.9 | -76.6 | 163.4 | 0 | 0 | 0 | 112.3 | F37 A325 M327 I341 I350 C353 A504 V505 Y506 D510 A511 Y512 | F37-L508 HydrophobicContact CE1-CB 4.04Å; F37-L508 HydrophobicContact CZ-CB 4.3Å; A325-L508 HydrophobicContact CB-CD2 4Å; A325-L508 HydrophobicContact CB-CG 4.14Å; M327-L508 HydrophobicContact CE-CB 3.92Å; M327-L508 HydrophobicContact CE-CD2 3.53Å; M327-L508 HydrophobicContact CE-CG 4.33Å; M327-L508 WeakPolarHBondContact CE-O 3.42Å; I341-L508 HydrophobicContact CB-CD1 4.49Å; I341-L508 HydrophobicContact CB-CD2 4.19Å; I341-L508 HydrophobicContact CB-CG 4.32Å; I341-L508 HydrophobicContact CD1-CG 4.21Å; I341-L508 HydrophobicContact CG2-CD1 4.34Å; I350-L508 HydrophobicContact CD1-CD1 3.85Å; I350-L508 HydrophobicContact CG2-CD1 4.25Å; C353-L508 HydrophobicContact CB-CD1 4.17Å; C353-L508 VanDerWaalsContact SG-CD1 3.57Å; A504-L508 WeakPolarHBondContact O-CB 3.31Å; A504-L508 WeakPolarHBondContact O-CD1 3.33Å; A504-L508 VanDerWaalsContact O-CG 3.26Å; A504-L508 WeakPolarHBondContact O-CG 3.47Å; A504-L508 PolarHBondContact O-N 2.93Å; V505-L508 PolarHBondContact O-N 2.78Å; Y506-L508 PolarHBondContact O-N 3.25Å; L508-D510 VanDerWaalsContact C-N 3.32Å; L508-A511 PolarHBondContact O-N 2.69Å; L508-Y512 WeakPolarHBondContact O-CB 3.46Å; L508-Y512 PolarHBondContact O-N 3.4Å |
| 509 | K | 92.5 | Very high | 94.1 | Very high | 40 Ų | 40 | 18.1 Ų | 18.1 | 17% | 0.174 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -64.2 | -39.9 | 175.4 | -169.9 | 71.1 | 178.5 | -170 | 0 | 111 | F37 V505 Y506 C507 A511 Y512 L513 | F37-K509 HydrophobicContact CB-CD 4.22Å; F37-K509 HydrophobicContact CD1-CB 4.26Å; F37-K509 HydrophobicContact CD1-CD 3.87Å; F37-K509 HydrophobicContact CD2-CD 3.67Å; F37-K509 HydrophobicContact CE1-CB 4.01Å; F37-K509 HydrophobicContact CE1-CD 4.11Å; F37-K509 HydrophobicContact CE2-CD 3.93Å; F37-K509 HydrophobicContact CG-CD 3.63Å; F37-K509 HydrophobicContact CZ-CB 4.41Å; F37-K509 HydrophobicContact CZ-CD 4.13Å; V505-K509 PolarHBondContact O-N 2.75Å; Y506-K509 WeakPolarHBondContact O-CB 3.19Å; Y506-K509 PolarHBondContact O-N 2.83Å; Y506-K509 VanDerWaalsContact O-N 3.16Å; C507-K509 VanDerWaalsContact C-N 3.32Å; C507-K509 PolarHBondContact O-N 3.25Å; K509-A511 VanDerWaalsContact C-N 3.35Å; K509-Y512 PolarHBondContact O-N 2.78Å; K509-L513 HydrophobicContact CD-CG 4.45Å; K509-L513 HydrophobicContact CG-CD1 4.03Å; K509-L513 HydrophobicContact CG-CG 4.25Å; K509-L513 VanDerWaalsContact O-CG 3.31Å; K509-L513 WeakPolarHBondContact O-CG 3.43Å; K509-L513 PolarHBondContact O-N 2.97Å |
| 510 | D | 94.9 | Very high | 94 | Very high | 10 Ų | 10 | 23.4 Ų | 23.4 | 5% | 0.053 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -69.8 | -29 | 178.2 | -83.7 | 7.7 | 0 | 0 | 0 | 113.1 | D303 L469 K481 Y506 C507 L508 P514 | D303-D510 HydrophobicContact CB-CB 4.15Å; L469-D510 HydrophobicContact CD2-CB 4.07Å; L469-D510 WeakPolarHBondContact CD2-OD1 3.28Å; K481-D510 WeakPolarHBondContact CD-OD1 3.4Å; K481-D510 WeakPolarHBondContact CE-OD1 3.15Å; K481-D510 IonicContact NZ-OD1 3.15Å; K481-D510 PolarHBondContact NZ-OD1 3.06Å; K481-D510 IonicContact NZ-OD2 2.69Å; K481-D510 PolarHBondContact NZ-OD2 2.91Å; Y506-D510 PolarHBondContact O-N 3.1Å; Y506-D510 VanDerWaalsContact O-N 3.08Å; Y506-D510 PolarHBondContact OH-OD2 3.28Å; C507-D510 PolarHBondContact O-N 3.24Å; C507-D510 VanDerWaalsContact O-N 3.15Å; L508-D510 VanDerWaalsContact C-N 3.32Å; D510-P514 WeakPolarHBondContact O-CD 3.2Å; D510-P514 VanDerWaalsContact O-CG 3.25Å; D510-P514 WeakPolarHBondContact O-CG 3.49Å |
| 511 | A | 96.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -75.7 | -30.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | S301 D303 A325 M327 C507 L508 K509 | S301-A511 WeakPolarHBondContact CB-O 3.45Å; S301-A511 PolarHBondContact OG-O 2.9Å; D303-A511 HydrophobicContact CB-CB 4.18Å; A325-A511 HydrophobicContact CB-CB 3.96Å; M327-A511 HydrophobicContact CG-CB 4.04Å; C507-A511 PolarHBondContact O-N 3.4Å; L508-A511 PolarHBondContact O-N 2.69Å; K509-A511 VanDerWaalsContact C-N 3.35Å |
| 512 | Y | 95.9 | Very high | 93.8 | Very high | 13 Ų | 13 | 24.1 Ų | 24.1 | 5% | 0.051 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -80.8 | -42.6 | -177.2 | -179 | -123.9 | 0 | 0 | 0 | 114.3 | F37 H40 F44 P336 L508 K509 P514 L515 R516 | F37-Y512 HydrophobicContact CD2-CD1 4.11Å; F37-Y512 HydrophobicContact CD2-CE1 4.38Å; F37-Y512 AromaticContact CE2-CD1 3.42Å; F37-Y512 HydrophobicContact CE2-CD1 3.42Å; F37-Y512 VanDerWaalsContact CE2-CD1 3.42Å; F37-Y512 AromaticContact CE2-CE1 3.97Å; F37-Y512 HydrophobicContact CE2-CE1 3.97Å; F37-Y512 AromaticContact CE2-CG 3.92Å; F37-Y512 HydrophobicContact CE2-CG 3.92Å; F37-Y512 HydrophobicContact CZ-CD1 4.29Å; F37-Y512 HydrophobicContact CZ-CG 4.43Å; H40-Y512 PolarHBondContact CE1-OH 2.75Å; H40-Y512 VanDerWaalsContact CE1-OH 3.25Å; F44-Y512 HydrophobicContact CZ-CE2 4.42Å; P336-Y512 HydrophobicContact CG-CD2 4.42Å; P336-Y512 HydrophobicContact CG-CE2 4.26Å; L508-Y512 WeakPolarHBondContact O-CB 3.46Å; L508-Y512 PolarHBondContact O-N 3.4Å; K509-Y512 PolarHBondContact O-N 2.78Å; Y512-P514 VanDerWaalsContact C-N 3.34Å; Y512-L515 WeakPolarHBondContact O-CB 3.01Å; Y512-L515 PolarHBondContact O-N 2.78Å; Y512-L515 VanDerWaalsContact O-N 3.1Å; Y512-R516 HydrophobicContact CD1-CG 4.47Å; Y512-R516 HydrophobicContact CE1-CG 4Å; Y512-R516 HydrophobicContact CE2-CG 4.11Å; Y512-R516 VanDerWaalsContact CZ-CD 3.44Å; Y512-R516 PolarHBondContact O-N 2.78Å; Y512-R516 WeakPolarHBondContact OH-CD 3.24Å |
| 513 | L | 95.2 | Very high | 94 | Very high | 3 Ų | 3 | 22.7 Ų | 22.7 | 2% | 0.016 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -56.1 | -39.1 | -178.2 | -73.2 | 169.4 | 0 | 0 | 0 | 113.5 | L469 L477 K481 K509 L515 R516 L517 | L469-L513 HydrophobicContact CD1-CB 4Å; L469-L513 HydrophobicContact CD2-CB 4.36Å; L469-L513 HydrophobicContact CD2-CD1 4.24Å; L469-L513 HydrophobicContact CG-CB 4.44Å; L469-L513 HydrophobicContact CG-CD1 4.19Å; L477-L513 HydrophobicContact CD1-CD2 4.08Å; K481-L513 HydrophobicContact CB-CD1 4.32Å; K481-L513 HydrophobicContact CD-CD1 4.19Å; K509-L513 HydrophobicContact CD-CG 4.45Å; K509-L513 HydrophobicContact CG-CD1 4.03Å; K509-L513 HydrophobicContact CG-CG 4.25Å; K509-L513 VanDerWaalsContact O-CG 3.31Å; K509-L513 WeakPolarHBondContact O-CG 3.43Å; K509-L513 PolarHBondContact O-N 2.97Å; L513-L515 VanDerWaalsContact C-N 3.34Å; L513-L515 PolarHBondContact O-N 2.7Å; L513-R516 PolarHBondContact O-N 3.06Å; L513-L517 WeakPolarHBondContact O-CB 3.46Å; L513-L517 WeakPolarHBondContact O-CG 3.46Å; L513-L517 PolarHBondContact O-N 2.89Å |
| 514 | P | 97.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -58.3 | -39.2 | 174.6 | -28 | 35.7 | 0 | 0 | 0 | 114.3 | L454 D510 Y512 L517 L518 | L454-P514 HydrophobicContact CD2-CB 3.98Å; D510-P514 WeakPolarHBondContact O-CD 3.2Å; D510-P514 VanDerWaalsContact O-CG 3.25Å; D510-P514 WeakPolarHBondContact O-CG 3.49Å; Y512-P514 VanDerWaalsContact C-N 3.34Å; P514-L517 PolarHBondContact O-N 3.25Å; P514-L518 WeakPolarHBondContact O-CB 3.47Å; P514-L518 VanDerWaalsContact O-CG 3.24Å; P514-L518 WeakPolarHBondContact O-CG 3.42Å; P514-L518 PolarHBondContact O-N 2.9Å |
| 515 | L | 96.9 | Very high | 94.2 | Very high | 5 Ų | 5 | 23.3 Ų | 23.3 | 3% | 0.026 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62.8 | -47.6 | 176.1 | -70.1 | 174.9 | 0 | 0 | 0 | 111.2 | I299 M327 Q329 P336 T381 Y512 L513 L517 L518 E519 | I299-L515 HydrophobicContact CB-CD2 4.36Å; I299-L515 HydrophobicContact CG2-CD2 3.79Å; M327-L515 HydrophobicContact CB-CD1 3.49Å; M327-L515 VanDerWaalsContact CB-CD1 3.49Å; Q329-L515 HydrophobicContact CB-CD1 4.15Å; Q329-L515 HydrophobicContact CB-CD2 4.36Å; P336-L515 HydrophobicContact CB-CD1 4.43Å; T381-L515 HydrophobicContact CG2-CD2 4.08Å; Y512-L515 WeakPolarHBondContact O-CB 3.01Å; Y512-L515 PolarHBondContact O-N 2.78Å; Y512-L515 VanDerWaalsContact O-N 3.1Å; L513-L515 VanDerWaalsContact C-N 3.34Å; L513-L515 PolarHBondContact O-N 2.7Å; L515-L517 VanDerWaalsContact C-N 3.33Å; L515-L517 PolarHBondContact O-N 2.89Å; L515-L518 PolarHBondContact O-N 3.13Å; L515-E519 PolarHBondContact O-N 3.1Å |
| 516 | R | 94.6 | Very high | 94.3 | Very high | 66 Ų | 66 | 23.6 Ų | 23.6 | 25% | 0.249 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62.9 | -39.6 | 178.3 | -68.1 | -168.2 | 65.9 | -157.2 | -2.1 | 112.8 | L477 E479 Y512 L513 E519 K520 | L477-R516 HydrophobicContact CD1-CB 4.06Å; E479-R516 IonicContact OE1-CZ 3.4Å; E479-R516 IonicContact OE1-NH1 3.04Å; E479-R516 PolarHBondContact OE1-NH1 2.78Å; E479-R516 IonicContact OE1-NH2 2.65Å; E479-R516 PolarHBondContact OE1-NH2 3.21Å; E479-R516 IonicContact OE2-CZ 2.79Å; E479-R516 IonicContact OE2-NH1 2.61Å; E479-R516 PolarHBondContact OE2-NH1 3.1Å; Y512-R516 HydrophobicContact CD1-CG 4.47Å; Y512-R516 HydrophobicContact CE1-CG 4Å; Y512-R516 HydrophobicContact CE2-CG 4.11Å; Y512-R516 VanDerWaalsContact CZ-CD 3.44Å; Y512-R516 PolarHBondContact O-N 2.78Å; Y512-R516 WeakPolarHBondContact OH-CD 3.24Å; L513-R516 PolarHBondContact O-N 3.06Å; R516-E519 PolarHBondContact O-N 3.15Å; R516-K520 VanDerWaalsContact O-CB 3.28Å; R516-K520 WeakPolarHBondContact O-CB 3.43Å; R516-K520 PolarHBondContact O-N 2.61Å |
| 517 | L | 95.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -66.7 | -42.4 | 175.4 | -74.9 | 166.9 | 0 | 0 | 0 | 111.4 | L454 L469 V472 F476 L477 L513 P514 L515 E519 K520 L521 | L454-L517 HydrophobicContact CD1-CB 4.35Å; L454-L517 HydrophobicContact CD2-CB 3.44Å; L454-L517 VanDerWaalsContact CD2-CB 3.44Å; L454-L517 HydrophobicContact CD2-CD1 3.57Å; L454-L517 HydrophobicContact CD2-CG 4.13Å; L469-L517 HydrophobicContact CD1-CD1 3.82Å; V472-L517 HydrophobicContact CG2-CD1 3.85Å; F476-L517 HydrophobicContact CB-CD2 3.83Å; F476-L517 HydrophobicContact CD2-CD2 4.07Å; F476-L517 HydrophobicContact CG-CD2 4.4Å; L477-L517 HydrophobicContact CD1-CD2 4.04Å; L477-L517 HydrophobicContact CD1-CG 4.05Å; L477-L517 HydrophobicContact CD2-CD2 4.3Å; L477-L517 HydrophobicContact CG-CD2 3.84Å; L477-L517 HydrophobicContact CG-CG 4.39Å; L513-L517 WeakPolarHBondContact O-CB 3.46Å; L513-L517 WeakPolarHBondContact O-CG 3.46Å; L513-L517 PolarHBondContact O-N 2.89Å; P514-L517 PolarHBondContact O-N 3.25Å; L515-L517 VanDerWaalsContact C-N 3.33Å; L515-L517 PolarHBondContact O-N 2.89Å; L517-E519 VanDerWaalsContact C-N 3.31Å; L517-E519 PolarHBondContact O-N 2.83Å; L517-K520 PolarHBondContact O-N 2.83Å; L517-L521 WeakPolarHBondContact O-CB 3.39Å; L517-L521 WeakPolarHBondContact O-CG 2.97Å; L517-L521 PolarHBondContact O-N 3.43Å |
| 518 | L | 95.2 | Very high | 94.6 | Very high | 8 Ų | 8 | 23 Ų | 23 | 4% | 0.042 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -59.7 | -42.1 | 175.1 | -76.5 | 176.6 | 0 | 0 | 0 | 111.9 | T381 F452 L454 P514 L515 M522 S523 V524 | T381-L518 HydrophobicContact CG2-CD1 3.92Å; T381-L518 WeakPolarHBondContact OG1-CD1 3.46Å; F452-L518 HydrophobicContact CD1-CD1 4.39Å; F452-L518 HydrophobicContact CD1-CD2 3.75Å; F452-L518 HydrophobicContact CE1-CD2 3.55Å; L454-L518 HydrophobicContact CD1-CD2 3.85Å; L454-L518 HydrophobicContact CD1-CG 4.24Å; P514-L518 WeakPolarHBondContact O-CB 3.47Å; P514-L518 VanDerWaalsContact O-CG 3.24Å; P514-L518 WeakPolarHBondContact O-CG 3.42Å; P514-L518 PolarHBondContact O-N 2.9Å; L515-L518 PolarHBondContact O-N 3.13Å; L518-M522 WeakPolarHBondContact O-CA 3.1Å; L518-M522 PolarHBondContact O-N 3.13Å; L518-S523 PolarHBondContact O-N 3.26Å; L518-V524 HydrophobicContact CD1-CG2 4.46Å |
| 519 | E | 92.7 | Very high | 94.7 | Very high | 82 Ų | 82 | 23 Ų | 23 | 38% | 0.383 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -65.8 | -50.9 | 175.4 | -168.9 | -171 | 177.6 | 0 | 0 | 111.5 | L515 R516 L517 L521 M522 K678 | L515-E519 PolarHBondContact O-N 3.1Å; R516-E519 PolarHBondContact O-N 3.15Å; L517-E519 VanDerWaalsContact C-N 3.31Å; L517-E519 PolarHBondContact O-N 2.83Å; E519-L521 PolarHBondContact O-N 2.91Å; E519-M522 PolarHBondContact O-N 3.01Å; E519-K678 IonicContact OE1-NZ 3.08Å; E519-K678 PolarHBondContact OE1-NZ 3.36Å |
| 520 | K | 90.9 | Very high | 94.8 | Very high | 133 Ų | 133 | 21.8 Ų | 21.8 | 58% | 0.578 | 10% | 0.099 | S | C | * | . | H | α-helix | trans | -55.7 | -37.5 | -179.8 | 179.2 | 63.2 | 176 | -169.9 | 0 | 112.4 | F476 L477 R516 L517 | F476-K520 HydrophobicContact CB-CG 4.45Å; F476-K520 VanDerWaalsContact O-CE 3.32Å; F476-K520 WeakPolarHBondContact O-CE 3.39Å; L477-K520 HydrophobicContact CD2-CB 3.86Å; L477-K520 HydrophobicContact CD2-CG 3.94Å; R516-K520 VanDerWaalsContact O-CB 3.28Å; R516-K520 WeakPolarHBondContact O-CB 3.43Å; R516-K520 PolarHBondContact O-N 2.61Å; L517-K520 PolarHBondContact O-N 2.83Å |
| 521 | L | 92.2 | Very high | 94.8 | Very high | 14 Ų | 14 | 21.3 Ų | 21.3 | 7% | 0.073 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -2.7 | -179.6 | -57.7 | 177.6 | 0 | 0 | 0 | 113 | L458 Y462 F476 L517 E519 S523 N526 | L458-L521 HydrophobicContact CD2-CD1 3.61Å; Y462-L521 HydrophobicContact CE1-CD2 4.33Å; Y462-L521 HydrophobicContact CE2-CD1 4.07Å; Y462-L521 HydrophobicContact CE2-CD2 4.48Å; F476-L521 HydrophobicContact CD1-CD2 3.63Å; F476-L521 HydrophobicContact CD2-CD1 4.45Å; F476-L521 HydrophobicContact CD2-CD2 4.38Å; F476-L521 HydrophobicContact CE1-CD2 3.7Å; F476-L521 HydrophobicContact CE2-CD1 4.33Å; F476-L521 HydrophobicContact CE2-CD2 4.44Å; F476-L521 HydrophobicContact CG-CD2 3.98Å; F476-L521 HydrophobicContact CZ-CD2 4.11Å; L517-L521 WeakPolarHBondContact O-CB 3.39Å; L517-L521 WeakPolarHBondContact O-CG 2.97Å; L517-L521 PolarHBondContact O-N 3.43Å; E519-L521 PolarHBondContact O-N 2.91Å; L521-S523 WeakPolarHBondContact CB-OG 3.43Å; L521-S523 PolarHBondContact O-N 3.36Å; L521-S523 VanDerWaalsContact O-N 3.14Å; L521-N526 PolarHBondContact O-ND2 3.16Å |
| 522 | M | 91.8 | Very high | 94.8 | Very high | 51 Ų | 51 | 21.6 Ų | 21.6 | 25% | 0.251 | 10% | 0.098 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 32.1 | -175.3 | -56.2 | -175.8 | -65.1 | 0 | 0 | 113.1 | L518 E519 V524 I525 N526 K678 | L518-M522 WeakPolarHBondContact O-CA 3.1Å; L518-M522 PolarHBondContact O-N 3.13Å; E519-M522 PolarHBondContact O-N 3.01Å; M522-V524 PolarHBondContact O-N 3.39Å; M522-I525 PolarHBondContact O-N 2.87Å; M522-N526 VanDerWaalsContact O-CB 3.32Å; M522-N526 WeakPolarHBondContact O-CB 3.28Å; M522-N526 PolarHBondContact O-N 3.1Å; M522-N526 PolarHBondContact O-ND2 3.48Å; M522-N526 VanDerWaalsContact O-ND2 3.14Å; M522-K678 HydrophobicContact SD-CB 4.17Å; M522-K678 HydrophobicContact SD-CG 3.94Å |
| 523 | S | 93.8 | Very high | 94.8 | Very high | 3 Ų | 3 | 22.2 Ų | 22.2 | 2% | 0.021 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.7 | -44.9 | -164.2 | -63 | 0 | 0 | 0 | 0 | 112.4 | L518 L521 N526 Y527 | L518-S523 PolarHBondContact O-N 3.26Å; L521-S523 WeakPolarHBondContact CB-OG 3.43Å; L521-S523 PolarHBondContact O-N 3.36Å; L521-S523 VanDerWaalsContact O-N 3.14Å; S523-N526 PolarHBondContact O-N 3.32Å; S523-Y527 WeakPolarHBondContact O-CD2 3.43Å; S523-Y527 PolarHBondContact O-N 3.48Å |
| 524 | V | 95.2 | Very high | 94.7 | Very high | 6 Ų | 6 | 22.1 Ų | 22.1 | 4% | 0.036 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.7 | -48.8 | -179.5 | 179.4 | 0 | 0 | 0 | 0 | 110.9 | I299 L379 F452 L518 M522 N526 Y527 I528 | I299-V524 HydrophobicContact CD1-CG2 4.23Å; L379-V524 HydrophobicContact CD1-CG1 3.93Å; F452-V524 HydrophobicContact CD1-CG2 4.32Å; F452-V524 HydrophobicContact CE1-CG2 4.1Å; F452-V524 HydrophobicContact CZ-CG2 4.41Å; L518-V524 HydrophobicContact CD1-CG2 4.46Å; M522-V524 PolarHBondContact O-N 3.39Å; V524-N526 PolarHBondContact O-N 2.93Å; V524-Y527 PolarHBondContact O-N 2.94Å; V524-I528 HydrophobicContact CG1-CD1 3.84Å; V524-I528 WeakPolarHBondContact O-CG1 3.47Å; V524-I528 PolarHBondContact O-N 3.11Å |
| 525 | I | 94.3 | Very high | 94.6 | Very high | 8 Ų | 8 | 22.1 Ų | 22.1 | 4% | 0.041 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -59.9 | -48 | 177.4 | -65.1 | 174.4 | 0 | 0 | 0 | 110.8 | I294 M522 Y527 I528 E529 F675 K678 V679 | I294-I525 HydrophobicContact CD1-CG1 4.29Å; I294-I525 HydrophobicContact CD1-CG2 4.5Å; M522-I525 PolarHBondContact O-N 2.87Å; I525-Y527 VanDerWaalsContact C-N 3.27Å; I525-Y527 PolarHBondContact O-N 3.38Å; I525-I528 PolarHBondContact O-N 2.82Å; I525-E529 PolarHBondContact O-N 3.17Å; I525-F675 HydrophobicContact CD1-CE2 4.07Å; I525-K678 HydrophobicContact CD1-CB 3.88Å; I525-K678 HydrophobicContact CD1-CD 4.39Å; I525-V679 HydrophobicContact CG2-CG2 4.25Å |
| 526 | N | 94.5 | Very high | 94.6 | Very high | 26 Ų | 26 | 21.9 Ų | 21.9 | 14% | 0.139 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -58.4 | -39.5 | 179.9 | -73.8 | -25.9 | 0 | 0 | 0 | 112.2 | L521 M522 S523 V524 M530 G682 | L521-N526 PolarHBondContact O-ND2 3.16Å; M522-N526 VanDerWaalsContact O-CB 3.32Å; M522-N526 WeakPolarHBondContact O-CB 3.28Å; M522-N526 PolarHBondContact O-N 3.1Å; M522-N526 PolarHBondContact O-ND2 3.48Å; M522-N526 VanDerWaalsContact O-ND2 3.14Å; S523-N526 PolarHBondContact O-N 3.32Å; V524-N526 PolarHBondContact O-N 2.93Å; N526-M530 VanDerWaalsContact O-CB 3.29Å; N526-M530 WeakPolarHBondContact O-CB 3.49Å; N526-M530 PolarHBondContact O-N 3.27Å; N526-G682 WeakPolarHBondContact OD1-CA 3.5Å |
| 527 | Y | 95.5 | Very high | 94.6 | Very high | 14 Ų | 14 | 18.9 Ų | 18.9 | 6% | 0.055 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -77.8 | -33.7 | 178.7 | -83.8 | -113.4 | 0 | 0 | 0 | 113 | F452 V457 R460 D461 S523 V524 I525 M530 S531 L538 L541 L542 | F452-Y527 HydrophobicContact CE2-CD1 4.18Å; F452-Y527 AromaticContact CE2-CG 3.97Å; F452-Y527 HydrophobicContact CE2-CG 3.97Å; F452-Y527 HydrophobicContact CZ-CD1 4.37Å; F452-Y527 AromaticContact CZ-CD2 3.98Å; F452-Y527 HydrophobicContact CZ-CD2 3.98Å; F452-Y527 AromaticContact CZ-CG 3.88Å; F452-Y527 HydrophobicContact CZ-CG 3.88Å; V457-Y527 HydrophobicContact CG1-CE2 4.22Å; R460-Y527 WeakPolarHBondContact CD-OH 3.11Å; D461-Y527 PolarHBondContact OD1-OH 2.86Å; D461-Y527 WeakPolarHBondContact OD2-CE2 3.48Å; D461-Y527 PolarHBondContact OD2-OH 2.81Å; S523-Y527 WeakPolarHBondContact O-CD2 3.43Å; S523-Y527 PolarHBondContact O-N 3.48Å; V524-Y527 PolarHBondContact O-N 2.94Å; I525-Y527 VanDerWaalsContact C-N 3.27Å; I525-Y527 PolarHBondContact O-N 3.38Å; Y527-M530 PolarHBondContact O-N 2.89Å; Y527-S531 WeakPolarHBondContact O-CB 3.4Å; Y527-S531 PolarHBondContact O-N 3.09Å; Y527-L538 VanDerWaalsContact CB-CD1 3.46Å; Y527-L538 HydrophobicContact CD1-CD1 4.47Å; Y527-L538 HydrophobicContact CG-CD1 4.46Å; Y527-L541 HydrophobicContact CD1-CB 3.91Å; Y527-L541 HydrophobicContact CD1-CD1 4.32Å; Y527-L541 HydrophobicContact CE1-CB 4.21Å; Y527-L541 WeakPolarHBondContact O-CD1 3.39Å; Y527-L542 HydrophobicContact CD1-CD2 3.85Å; Y527-L542 HydrophobicContact CD1-CG 4.34Å; Y527-L542 HydrophobicContact CE1-CD2 3.53Å; Y527-L542 HydrophobicContact CE1-CG 4.29Å |
| 528 | I | 96.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60.5 | -47.3 | 170.7 | -74.2 | 169.3 | 0 | 0 | 0 | 110.3 | C249 I294 F297 V524 I525 S531 R532 | C249-I528 HydrophobicContact CB-CG2 3.81Å; I294-I528 HydrophobicContact CD1-CD1 4.23Å; I294-I528 HydrophobicContact CD1-CG2 4.07Å; I294-I528 HydrophobicContact CG1-CG2 4.33Å; I294-I528 HydrophobicContact CG2-CD1 3.87Å; F297-I528 HydrophobicContact CD2-CD1 4.22Å; F297-I528 HydrophobicContact CE2-CD1 3.95Å; V524-I528 HydrophobicContact CG1-CD1 3.84Å; V524-I528 WeakPolarHBondContact O-CG1 3.47Å; V524-I528 PolarHBondContact O-N 3.11Å; I525-I528 PolarHBondContact O-N 2.82Å; I528-S531 VanDerWaalsContact O-CB 3.29Å; I528-S531 WeakPolarHBondContact O-CB 3.44Å; I528-S531 PolarHBondContact O-N 2.98Å; I528-R532 WeakPolarHBondContact O-CG 3.5Å; I528-R532 PolarHBondContact O-N 3.01Å |
| 529 | E | 95.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -69.5 | -36.2 | 178.4 | -70.6 | -54 | 123.7 | 0 | 0 | 112.4 | I525 S531 R532 V533 V679 R683 A686 | I525-E529 PolarHBondContact O-N 3.17Å; E529-S531 VanDerWaalsContact C-N 3.29Å; E529-S531 PolarHBondContact O-N 2.72Å; E529-R532 PolarHBondContact O-N 3.41Å; E529-R532 WeakPolarHBondContact OE1-CD 3.42Å; E529-R532 IonicContact OE1-CZ 2.93Å; E529-R532 IonicContact OE1-NE 3.62Å; E529-R532 IonicContact OE1-NH1 2.76Å; E529-R532 PolarHBondContact OE1-NH1 2.67Å; E529-V533 WeakPolarHBondContact O-CB 3.2Å; E529-V533 VanDerWaalsContact O-CG2 3.29Å; E529-V533 WeakPolarHBondContact O-CG2 3.25Å; E529-V533 PolarHBondContact O-N 3Å; E529-V679 HydrophobicContact CG-CG1 4.45Å; E529-R683 HydrophobicContact CB-CB 4.25Å; E529-R683 HydrophobicContact CG-CB 3.96Å; E529-R683 WeakPolarHBondContact OE2-CB 3.43Å; E529-R683 WeakPolarHBondContact OE2-CD 3.38Å; E529-R683 VanDerWaalsContact OE2-CG 3.3Å; E529-R683 WeakPolarHBondContact OE2-CG 3.1Å; E529-R683 IonicContact OE2-NH1 3.18Å; E529-R683 PolarHBondContact OE2-NH1 3.08Å; E529-R683 VanDerWaalsContact OE2-NH1 3.16Å; E529-A686 HydrophobicContact CB-CB 4.25Å |
| 530 | M | 95.1 | Very high | 94.1 | Very high | 15 Ų | 15 | 17 Ų | 17 | 7% | 0.074 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -58.7 | -42.6 | 170.3 | -176 | 65.4 | 61 | 0 | 0 | 111.7 | N526 Y527 V533 T534 L541 K549 A686 I689 | N526-M530 VanDerWaalsContact O-CB 3.29Å; N526-M530 WeakPolarHBondContact O-CB 3.49Å; N526-M530 PolarHBondContact O-N 3.27Å; Y527-M530 PolarHBondContact O-N 2.89Å; M530-V533 PolarHBondContact O-N 3.16Å; M530-T534 WeakPolarHBondContact O-CB 3.44Å; M530-T534 WeakPolarHBondContact O-CG2 3.5Å; M530-T534 PolarHBondContact O-N 3.03Å; M530-T534 PolarHBondContact O-OG1 3.42Å; M530-T534 HydrophobicContact SD-CG2 3.84Å; M530-L541 HydrophobicContact CB-CD1 3.8Å; M530-L541 HydrophobicContact CG-CD1 3.66Å; M530-L541 HydrophobicContact CG-CD2 3.86Å; M530-L541 HydrophobicContact CG-CG 4.43Å; M530-K549 HydrophobicContact SD-CD 4.09Å; M530-K549 PolarHBondContact SD-NZ 2.93Å; M530-K549 VanDerWaalsContact SD-NZ 3.36Å; M530-A686 HydrophobicContact CB-CB 4.34Å; M530-A686 HydrophobicContact CE-CB 4.04Å; M530-A686 HydrophobicContact SD-CB 4.49Å; M530-I689 HydrophobicContact CE-CB 3.92Å; M530-I689 HydrophobicContact CE-CD1 4.03Å; M530-I689 HydrophobicContact CE-CG2 3.81Å |
| 531 | S | 96.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -62.6 | -45.2 | 177.5 | 170.2 | 0 | 0 | 0 | 0 | 110.7 | G248 C249 Y527 I528 E529 G535 V536 | G248-S531 VanDerWaalsContact C-OG 3.28Å; G248-S531 VanDerWaalsContact CA-O 3.29Å; G248-S531 WeakPolarHBondContact CA-O 3.48Å; G248-S531 WeakPolarHBondContact CA-OG 3.46Å; G248-S531 PolarHBondContact N-O 2.89Å; C249-S531 PolarHBondContact N-OG 2.69Å; C249-S531 PolarHBondContact SG-OG 3.24Å; Y527-S531 WeakPolarHBondContact O-CB 3.4Å; Y527-S531 PolarHBondContact O-N 3.09Å; I528-S531 VanDerWaalsContact O-CB 3.29Å; I528-S531 WeakPolarHBondContact O-CB 3.44Å; I528-S531 PolarHBondContact O-N 2.98Å; E529-S531 VanDerWaalsContact C-N 3.29Å; E529-S531 PolarHBondContact O-N 2.72Å; S531-G535 WeakPolarHBondContact O-CA 3.34Å; S531-G535 PolarHBondContact O-N 2.96Å; S531-V536 WeakPolarHBondContact CB-O 3.48Å; S531-V536 PolarHBondContact O-N 2.76Å; S531-V536 PolarHBondContact OG-O 2.71Å |
| 532 | R | 96 | Very high | 93.8 | Very high | 7 Ų | 7 | 11.4 Ų | 11.4 | 3% | 0.026 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -59.9 | -49.8 | 173.7 | -73.7 | 167.9 | 166.3 | -173.6 | -6.4 | 112.9 | G248 C249 P287 A292 D293 I528 E529 | G248-R532 WeakPolarHBondContact O-CA 3.36Å; G248-R532 WeakPolarHBondContact O-CG 3.43Å; G248-R532 PolarHBondContact O-N 3.07Å; C249-R532 HydrophobicContact CB-CG 4.12Å; C249-R532 PolarHBondContact O-NE 3.21Å; C249-R532 PolarHBondContact O-NH2 2.89Å; P287-R532 HydrophobicContact CB-CB 4.47Å; P287-R532 HydrophobicContact CB-CG 3.94Å; P287-R532 HydrophobicContact CG-CB 3.93Å; P287-R532 HydrophobicContact CG-CG 3.87Å; A292-R532 PolarHBondContact O-NH1 3.23Å; D293-R532 PolarHBondContact O-NH2 3.43Å; I528-R532 WeakPolarHBondContact O-CG 3.5Å; I528-R532 PolarHBondContact O-N 3.01Å; E529-R532 PolarHBondContact O-N 3.41Å; E529-R532 WeakPolarHBondContact OE1-CD 3.42Å; E529-R532 IonicContact OE1-CZ 2.93Å; E529-R532 IonicContact OE1-NE 3.62Å; E529-R532 IonicContact OE1-NH1 2.76Å; E529-R532 PolarHBondContact OE1-NH1 2.67Å |
| 533 | V | 95.2 | Very high | 93.3 | Very high | 25 Ų | 25 | 12.7 Ų | 12.7 | 15% | 0.152 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -68.2 | -39 | -176.8 | 168.4 | 0 | 0 | 0 | 0 | 112.7 | E529 M530 Q553 L657 R683 A686 L687 | E529-V533 WeakPolarHBondContact O-CB 3.2Å; E529-V533 VanDerWaalsContact O-CG2 3.29Å; E529-V533 WeakPolarHBondContact O-CG2 3.25Å; E529-V533 PolarHBondContact O-N 3Å; M530-V533 PolarHBondContact O-N 3.16Å; V533-Q553 PolarHBondContact O-NE2 3.29Å; V533-L657 HydrophobicContact CG1-CD2 3.84Å; V533-R683 HydrophobicContact CG2-CG 4.47Å; V533-A686 HydrophobicContact CB-CB 4.37Å; V533-A686 HydrophobicContact CG2-CB 4.01Å; V533-L687 HydrophobicContact CB-CD2 4.46Å; V533-L687 HydrophobicContact CG1-CD2 3.74Å; V533-L687 HydrophobicContact CG1-CG 4.33Å; V533-L687 HydrophobicContact CG2-CD2 3.81Å; V533-L687 HydrophobicContact CG2-CG 3.87Å |
| 534 | T | 94.5 | Very high | 92.7 | Very high | 1 Ų | 1 | 16.5 Ų | 16.5 | 1% | 0.006 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -95.6 | -13.1 | -173.9 | 61.2 | 0 | 0 | 0 | 0 | 113.1 | M530 V536 K549 S552 S690 | M530-T534 WeakPolarHBondContact O-CB 3.44Å; M530-T534 WeakPolarHBondContact O-CG2 3.5Å; M530-T534 PolarHBondContact O-N 3.03Å; M530-T534 PolarHBondContact O-OG1 3.42Å; M530-T534 HydrophobicContact SD-CG2 3.84Å; T534-V536 WeakPolarHBondContact OG1-CG2 3.22Å; T534-K549 HydrophobicContact CG2-CB 3.69Å; T534-K549 HydrophobicContact CG2-CD 4.06Å; T534-K549 HydrophobicContact CG2-CG 3.86Å; T534-S552 WeakPolarHBondContact O-CB 3.32Å; T534-S552 PolarHBondContact O-OG 3.47Å; T534-S690 VanDerWaalsContact CG2-OG 3.3Å; T534-S690 WeakPolarHBondContact CG2-OG 3.29Å |
| 535 | G | 94.9 | Very high | 91.8 | Very high | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.01 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73 | 31.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | M241 S531 S552 R556 | M241-G535 WeakPolarHBondContact CE-O 3.16Å; S531-G535 WeakPolarHBondContact O-CA 3.34Å; S531-G535 PolarHBondContact O-N 2.96Å; G535-S552 PolarHBondContact O-OG 3Å; G535-R556 PolarHBondContact O-NH2 3.14Å |
| 536 | V | 95.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | trans | -122.1 | 159.3 | 177.1 | -57.5 | 0 | 0 | 0 | 0 | 110.5 | I238 G248 S531 T534 I540 L541 I548 | I238-V536 HydrophobicContact CD1-CB 4.28Å; I238-V536 HydrophobicContact CD1-CG1 4.04Å; G248-V536 WeakPolarHBondContact CA-O 3.39Å; S531-V536 WeakPolarHBondContact CB-O 3.48Å; S531-V536 PolarHBondContact O-N 2.76Å; S531-V536 PolarHBondContact OG-O 2.71Å; T534-V536 WeakPolarHBondContact OG1-CG2 3.22Å; V536-I540 HydrophobicContact CB-CG2 4.17Å; V536-I540 HydrophobicContact CG2-CG2 4.31Å; V536-L541 HydrophobicContact CG2-CD2 3.52Å; V536-L541 HydrophobicContact CG2-CG 3.85Å; V536-I548 HydrophobicContact CG1-CG1 4.25Å | ||
| 537 | C | 95.1 | Very high | 90.7 | Very high | 2 Ų | 2 | 22.3 Ų | 22.3 | 1% | 0.014 | 12% | 0.124 | C | C | . | . | trans | -67.8 | 157.5 | 176.5 | -65.1 | 0 | 0 | 0 | 0 | 113.4 | K89 D91 M241 S539 I540 L541 | K89-C537 PolarHBondContact NZ-SG 2.92Å; D91-C537 VanDerWaalsContact OD1-CB 3.24Å; D91-C537 WeakPolarHBondContact OD1-CB 3.38Å; M241-C537 VanDerWaalsContact SD-SG 3.61Å; C537-S539 PolarHBondContact O-N 3.17Å; C537-I540 HydrophobicContact CB-CD1 4.27Å; C537-I540 HydrophobicContact CB-CG1 4.37Å; C537-I540 WeakPolarHBondContact O-CB 3.49Å; C537-I540 PolarHBondContact O-N 3.4Å; C537-L541 PolarHBondContact O-N 2.69Å | ||
| 538 | L | 92.7 | Very high | 90.4 | Very high | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.01 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.2 | -44.1 | 179.4 | -172.7 | 61.6 | 0 | 0 | 0 | 112.1 | L379 V450 F452 Y527 I540 L541 | L379-L538 HydrophobicContact CD2-CD2 3.9Å; V450-L538 HydrophobicContact CG1-CD2 4.03Å; V450-L538 HydrophobicContact CG1-CG 4.09Å; F452-L538 HydrophobicContact CD2-CD2 4.45Å; F452-L538 HydrophobicContact CE2-CD1 4.2Å; Y527-L538 VanDerWaalsContact CB-CD1 3.46Å; Y527-L538 HydrophobicContact CD1-CD1 4.47Å; Y527-L538 HydrophobicContact CG-CD1 4.46Å; L538-I540 VanDerWaalsContact C-N 3.27Å; L538-I540 PolarHBondContact O-N 3.05Å; L538-L541 WeakPolarHBondContact O-CB 3.49Å; L538-L541 PolarHBondContact O-N 2.86Å; L538-L541 VanDerWaalsContact O-N 3.11Å |
| 539 | S | 90.8 | Very high | 90.2 | Very high | 27 Ų | 27 | 22.4 Ų | 22.4 | 19% | 0.189 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -57.6 | -36.6 | 176.6 | 56.3 | 0 | 0 | 0 | 0 | 113 | D91 C537 L542 T543 | D91-S539 VanDerWaalsContact CG-OG 3.27Å; D91-S539 PolarHBondContact OD1-OG 3.2Å; D91-S539 WeakPolarHBondContact OD2-CB 3.31Å; D91-S539 PolarHBondContact OD2-OG 3.23Å; C537-S539 PolarHBondContact O-N 3.17Å; S539-L542 PolarHBondContact O-N 3.17Å; S539-T543 WeakPolarHBondContact O-CG2 3.35Å; S539-T543 PolarHBondContact O-N 3.2Å; S539-T543 VanDerWaalsContact O-N 3.11Å; S539-T543 PolarHBondContact O-OG1 3.04Å |
| 540 | I | 91.1 | Very high | 90.1 | Very high | 23 Ų | 23 | 22.5 Ų | 22.5 | 12% | 0.118 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -68.4 | -34.9 | 178.2 | -70.6 | 176 | 0 | 0 | 0 | 111.6 | I238 V536 C537 L538 L542 R544 I548 | I238-I540 HydrophobicContact CD1-CD1 3.68Å; I238-I540 HydrophobicContact CG1-CD1 4.3Å; V536-I540 HydrophobicContact CB-CG2 4.17Å; V536-I540 HydrophobicContact CG2-CG2 4.31Å; C537-I540 HydrophobicContact CB-CD1 4.27Å; C537-I540 HydrophobicContact CB-CG1 4.37Å; C537-I540 WeakPolarHBondContact O-CB 3.49Å; C537-I540 PolarHBondContact O-N 3.4Å; L538-I540 VanDerWaalsContact C-N 3.27Å; L538-I540 PolarHBondContact O-N 3.05Å; I540-L542 VanDerWaalsContact C-N 3.26Å; I540-L542 PolarHBondContact O-N 3.29Å; I540-R544 HydrophobicContact CG2-CB 4.33Å; I540-R544 HydrophobicContact CG2-CG 4.38Å; I540-R544 WeakPolarHBondContact O-CB 3.45Å; I540-R544 PolarHBondContact O-N 3.02Å; I540-I548 HydrophobicContact CG2-CB 4.48Å; I540-I548 HydrophobicContact CG2-CG1 3.99Å; I540-I548 HydrophobicContact CG2-CG2 3.75Å |
| 541 | L | 90.1 | Very high | 90 | Very high | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -66.5 | -30.2 | 178.3 | -67.2 | 178.5 | 0 | 0 | 0 | 112.9 | R460 Y527 M530 V536 C537 L538 K549 | R460-L541 PolarHBondContact NE-O 2.77Å; R460-L541 PolarHBondContact NH2-O 3.42Å; Y527-L541 HydrophobicContact CD1-CB 3.91Å; Y527-L541 HydrophobicContact CD1-CD1 4.32Å; Y527-L541 HydrophobicContact CE1-CB 4.21Å; Y527-L541 WeakPolarHBondContact O-CD1 3.39Å; M530-L541 HydrophobicContact CB-CD1 3.8Å; M530-L541 HydrophobicContact CG-CD1 3.66Å; M530-L541 HydrophobicContact CG-CD2 3.86Å; M530-L541 HydrophobicContact CG-CG 4.43Å; V536-L541 HydrophobicContact CG2-CD2 3.52Å; V536-L541 HydrophobicContact CG2-CG 3.85Å; C537-L541 PolarHBondContact O-N 2.69Å; L538-L541 WeakPolarHBondContact O-CB 3.49Å; L538-L541 PolarHBondContact O-N 2.86Å; L538-L541 VanDerWaalsContact O-N 3.11Å; L541-K549 HydrophobicContact CD2-CD 4.39Å; L541-K549 VanDerWaalsContact CD2-CE 3.45Å; L541-K549 HydrophobicContact CD2-CG 4.15Å |
| 542 | L | 84.8 | Confident | 89.9 | Confident | 27 Ų | 27 | 21.9 Ų | 21.9 | 14% | 0.141 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -82.7 | -38.2 | 179.8 | -61.9 | 166 | 0 | 0 | 0 | 111.4 | V450 Q451 F452 V457 Y527 S539 I540 | V450-L542 HydrophobicContact CG1-CD1 3.87Å; Q451-L542 VanDerWaalsContact O-CD1 3.27Å; Q451-L542 WeakPolarHBondContact O-CD1 3.4Å; F452-L542 HydrophobicContact CD2-CD1 3.63Å; F452-L542 HydrophobicContact CD2-CD2 4.16Å; F452-L542 HydrophobicContact CD2-CG 4.44Å; F452-L542 HydrophobicContact CE2-CD1 4.12Å; F452-L542 HydrophobicContact CE2-CD2 3.98Å; F452-L542 HydrophobicContact CE2-CG 4.49Å; F452-L542 HydrophobicContact CG-CD1 4.35Å; F452-L542 HydrophobicContact CZ-CD2 4.43Å; V457-L542 HydrophobicContact CG2-CD2 4.23Å; Y527-L542 HydrophobicContact CD1-CD2 3.85Å; Y527-L542 HydrophobicContact CD1-CG 4.34Å; Y527-L542 HydrophobicContact CE1-CD2 3.53Å; Y527-L542 HydrophobicContact CE1-CG 4.29Å; S539-L542 PolarHBondContact O-N 3.17Å; I540-L542 VanDerWaalsContact C-N 3.26Å; I540-L542 PolarHBondContact O-N 3.29Å |
| 543 | T | 82.3 | Confident | 89.9 | Confident | 78 Ų | 78 | 22.5 Ų | 22.5 | 48% | 0.479 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -93 | -19.7 | -173.6 | 55.9 | 0 | 0 | 0 | 0 | 114.3 | L443 S539 | L443-T543 HydrophobicContact CD2-CG2 4.21Å; S539-T543 WeakPolarHBondContact O-CG2 3.35Å; S539-T543 PolarHBondContact O-N 3.2Å; S539-T543 VanDerWaalsContact O-N 3.11Å; S539-T543 PolarHBondContact O-OG1 3.04Å |
| 544 | R | 81.3 | Confident | 89.9 | Confident | 84 Ų | 84 | 21.3 Ų | 21.3 | 32% | 0.317 | 12% | 0.118 | S | C | . | . | S | Bend | trans | -122.7 | 161.8 | -173.6 | -55.6 | -175.8 | 79.6 | -177.6 | 14.2 | 114.3 | D235 R460 I540 I548 | D235-R544 IonicContact OD2-CZ 2.86Å; D235-R544 IonicContact OD2-NH1 2.82Å; D235-R544 PolarHBondContact OD2-NH1 2.87Å; D235-R544 IonicContact OD2-NH2 3.22Å; D235-R544 PolarHBondContact OD2-NH2 3.17Å; R460-R544 PolarHBondContact NH1-O 2.88Å; R460-R544 PolarHBondContact NH2-O 3.49Å; I540-R544 HydrophobicContact CG2-CB 4.33Å; I540-R544 HydrophobicContact CG2-CG 4.38Å; I540-R544 WeakPolarHBondContact O-CB 3.45Å; I540-R544 PolarHBondContact O-N 3.02Å; R544-I548 HydrophobicContact CB-CG2 4.29Å |
| 545 | G | 74.8 | Confident | 90 | Very high | 44 Ų | 44 | 21.3 Ų | 21.3 | 45% | 0.454 | 12% | 0.118 | S | C | . | . | trans | -77.1 | 175.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q547 I548 | G545-Q547 PolarHBondContact O-N 3.38Å; G545-Q547 VanDerWaalsContact O-N 3.12Å; G545-I548 WeakPolarHBondContact O-CG2 3.43Å | ||
| 546 | Q | 80.2 | Confident | 90 | Very high | 57 Ų | 57 | 23.2 Ų | 23.2 | 27% | 0.266 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -23 | -174.9 | -57.2 | -60.3 | -26.1 | 0 | 0 | 114.5 | I548 K549 | Q546-I548 VanDerWaalsContact C-N 3.31Å; Q546-I548 PolarHBondContact O-N 3.04Å; Q546-K549 WeakPolarHBondContact O-CB 3.45Å; Q546-K549 PolarHBondContact O-N 2.9Å; Q546-K549 VanDerWaalsContact OE1-CE 3.29Å |
| 547 | Q | 86.2 | Confident | 90 | Very high | 60 Ų | 60 | 24.1 Ų | 24.1 | 28% | 0.28 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -63.7 | -32.4 | -174.4 | -67.9 | -176.3 | -8.3 | 0 | 0 | 114 | G545 K549 V550 I551 F697 V702 G703 | G545-Q547 PolarHBondContact O-N 3.38Å; G545-Q547 VanDerWaalsContact O-N 3.12Å; Q547-K549 PolarHBondContact O-N 3.36Å; Q547-V550 PolarHBondContact O-N 3.01Å; Q547-I551 WeakPolarHBondContact O-CG1 3.45Å; Q547-I551 PolarHBondContact O-N 3.16Å; Q547-F697 HydrophobicContact CB-CD2 4.12Å; Q547-F697 HydrophobicContact CB-CE2 4.13Å; Q547-F697 HydrophobicContact CG-CD2 4.09Å; Q547-F697 HydrophobicContact CG-CE2 4.38Å; Q547-V702 PolarHBondContact NE2-O 2.88Å; Q547-G703 VanDerWaalsContact NE2-CA 3.33Å; Q547-G703 VanDerWaalsContact OE1-CA 3.31Å |
| 548 | I | 90.1 | Very high | 90.1 | Very high | 8 Ų | 8 | 24.1 Ų | 24.1 | 4% | 0.041 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.7 | -31 | -178 | -165.9 | 57.6 | 0 | 0 | 0 | 111.9 | V536 I540 R544 G545 Q546 S552 | V536-I548 HydrophobicContact CG1-CG1 4.25Å; I540-I548 HydrophobicContact CG2-CB 4.48Å; I540-I548 HydrophobicContact CG2-CG1 3.99Å; I540-I548 HydrophobicContact CG2-CG2 3.75Å; R544-I548 HydrophobicContact CB-CG2 4.29Å; G545-I548 WeakPolarHBondContact O-CG2 3.43Å; Q546-I548 VanDerWaalsContact C-N 3.31Å; Q546-I548 PolarHBondContact O-N 3.04Å; I548-S552 WeakPolarHBondContact O-CB 3.27Å; I548-S552 PolarHBondContact O-N 3.48Å |
| 549 | K | 91.7 | Very high | 90.1 | Very high | 8 Ų | 8 | 30 Ų | 30 | 4% | 0.035 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.7 | -52.5 | 178.1 | -61.7 | 174.2 | 175.2 | -175 | 0 | 110.9 | M530 T534 L541 Q546 Q547 S552 Q553 | M530-K549 HydrophobicContact SD-CD 4.09Å; M530-K549 PolarHBondContact SD-NZ 2.93Å; M530-K549 VanDerWaalsContact SD-NZ 3.36Å; T534-K549 HydrophobicContact CG2-CB 3.69Å; T534-K549 HydrophobicContact CG2-CD 4.06Å; T534-K549 HydrophobicContact CG2-CG 3.86Å; L541-K549 HydrophobicContact CD2-CD 4.39Å; L541-K549 VanDerWaalsContact CD2-CE 3.45Å; L541-K549 HydrophobicContact CD2-CG 4.15Å; Q546-K549 WeakPolarHBondContact O-CB 3.45Å; Q546-K549 PolarHBondContact O-N 2.9Å; Q546-K549 VanDerWaalsContact OE1-CE 3.29Å; Q547-K549 PolarHBondContact O-N 3.36Å; K549-S552 PolarHBondContact O-N 2.95Å; K549-Q553 WeakPolarHBondContact O-CG 3.44Å; K549-Q553 PolarHBondContact O-N 3.31Å |
| 550 | V | 92.8 | Very high | 90.2 | Very high | 3 Ų | 3 | 34.7 Ų | 34.7 | 2% | 0.018 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -69.8 | -35.6 | -178.3 | -176.4 | 0 | 0 | 0 | 0 | 111.2 | Q547 Q553 L554 F697 | Q547-V550 PolarHBondContact O-N 3.01Å; V550-Q553 PolarHBondContact O-N 3.23Å; V550-L554 HydrophobicContact CG1-CD1 4.13Å; V550-L554 HydrophobicContact CG1-CG 4.42Å; V550-L554 WeakPolarHBondContact O-CB 3.31Å; V550-L554 WeakPolarHBondContact O-CG 3.27Å; V550-L554 PolarHBondContact O-N 3.23Å; V550-F697 HydrophobicContact CB-CB 4Å; V550-F697 HydrophobicContact CB-CD1 4.16Å; V550-F697 HydrophobicContact CB-CD2 3.77Å; V550-F697 HydrophobicContact CB-CE2 4.28Å; V550-F697 HydrophobicContact CB-CG 3.7Å; V550-F697 HydrophobicContact CG1-CB 3.9Å; V550-F697 HydrophobicContact CG1-CD1 3.49Å; V550-F697 VanDerWaalsContact CG1-CD1 3.49Å; V550-F697 HydrophobicContact CG1-CD2 4.05Å; V550-F697 HydrophobicContact CG1-CE1 3.99Å; V550-F697 HydrophobicContact CG1-CE2 4.49Å; V550-F697 HydrophobicContact CG1-CG 3.53Å; V550-F697 HydrophobicContact CG1-CZ 4.46Å; V550-F697 HydrophobicContact CG2-CB 3.88Å; V550-F697 HydrophobicContact CG2-CD2 4.36Å; V550-F697 HydrophobicContact CG2-CG 4.15Å |
| 551 | I | 93.8 | Very high | 90.2 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.6 | -45.4 | 174.8 | -75.1 | -76.2 | 0 | 0 | 0 | 112 | I234 Q547 Q553 L554 L555 L565 F697 K704 L705 | I234-I551 HydrophobicContact CD1-CG2 4.13Å; Q547-I551 WeakPolarHBondContact O-CG1 3.45Å; Q547-I551 PolarHBondContact O-N 3.16Å; I551-Q553 VanDerWaalsContact C-N 3.32Å; I551-Q553 PolarHBondContact O-N 3.38Å; I551-L554 PolarHBondContact O-N 3.18Å; I551-L555 HydrophobicContact CG2-CD1 3.87Å; I551-L555 HydrophobicContact CG2-CG 4.36Å; I551-L555 WeakPolarHBondContact O-CB 3.47Å; I551-L555 VanDerWaalsContact O-CG 3.32Å; I551-L555 WeakPolarHBondContact O-CG 3.32Å; I551-L555 PolarHBondContact O-N 3.35Å; I551-L565 HydrophobicContact CD1-CD1 4.26Å; I551-F697 HydrophobicContact CD1-CE2 4.03Å; I551-F697 HydrophobicContact CD1-CZ 3.56Å; I551-F697 HydrophobicContact CG1-CE2 3.65Å; I551-F697 HydrophobicContact CG1-CZ 3.71Å; I551-K704 HydrophobicContact CD1-CB 3.64Å; I551-K704 HydrophobicContact CD1-CD 4.13Å; I551-K704 HydrophobicContact CD1-CG 4.44Å; I551-K704 HydrophobicContact CG1-CB 4.05Å; I551-K704 HydrophobicContact CG1-CD 4.03Å; I551-K704 HydrophobicContact CG1-CG 4.44Å; I551-K704 HydrophobicContact CG2-CD 4.38Å; I551-L705 HydrophobicContact CD1-CD1 3.79Å |
| 552 | S | 95 | Very high | 90.4 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.3 | -44.1 | 176.2 | 167.7 | 0 | 0 | 0 | 0 | 111.5 | T534 G535 I548 K549 L555 R556 | T534-S552 WeakPolarHBondContact O-CB 3.32Å; T534-S552 PolarHBondContact O-OG 3.47Å; G535-S552 PolarHBondContact O-OG 3Å; I548-S552 WeakPolarHBondContact O-CB 3.27Å; I548-S552 PolarHBondContact O-N 3.48Å; K549-S552 PolarHBondContact O-N 2.95Å; S552-L555 PolarHBondContact O-N 3.01Å; S552-R556 WeakPolarHBondContact O-CG 3.42Å; S552-R556 PolarHBondContact O-N 3.27Å |
| 553 | Q | 95.1 | Very high | 91 | Very high | 20 Ų | 20 | 40.4 Ų | 40.4 | 9% | 0.093 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65 | -42.8 | 177.4 | -67.2 | 175.9 | -55.4 | 0 | 0 | 112.5 | V533 K549 V550 I551 R556 K557 I653 | V533-Q553 PolarHBondContact O-NE2 3.29Å; K549-Q553 WeakPolarHBondContact O-CG 3.44Å; K549-Q553 PolarHBondContact O-N 3.31Å; V550-Q553 PolarHBondContact O-N 3.23Å; I551-Q553 VanDerWaalsContact C-N 3.32Å; I551-Q553 PolarHBondContact O-N 3.38Å; Q553-R556 PolarHBondContact O-N 2.93Å; Q553-K557 PolarHBondContact O-N 2.95Å; Q553-K557 VanDerWaalsContact O-N 3.13Å; Q553-I653 HydrophobicContact CB-CG2 4.48Å |
| 554 | L | 95.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.5 | -49.8 | 174.9 | -83.9 | 170.8 | 0 | 0 | 0 | 111.4 | I183 V550 I551 R556 K557 T558 L565 Y613 L650 I653 F697 | I183-L554 HydrophobicContact CD1-CD2 3.95Å; V550-L554 HydrophobicContact CG1-CD1 4.13Å; V550-L554 HydrophobicContact CG1-CG 4.42Å; V550-L554 WeakPolarHBondContact O-CB 3.31Å; V550-L554 WeakPolarHBondContact O-CG 3.27Å; V550-L554 PolarHBondContact O-N 3.23Å; I551-L554 PolarHBondContact O-N 3.18Å; L554-R556 VanDerWaalsContact C-N 3.26Å; L554-R556 PolarHBondContact O-N 3.21Å; L554-K557 PolarHBondContact O-N 2.9Å; L554-K557 VanDerWaalsContact O-N 3.14Å; L554-T558 WeakPolarHBondContact O-CB 3.39Å; L554-T558 WeakPolarHBondContact O-CG2 3.49Å; L554-T558 PolarHBondContact O-N 3.37Å; L554-T558 PolarHBondContact O-OG1 2.88Å; L554-T558 VanDerWaalsContact O-OG1 3.08Å; L554-L565 HydrophobicContact CB-CD1 4.41Å; L554-Y613 HydrophobicContact CD1-CE2 4.38Å; L554-L650 HydrophobicContact CD2-CD2 3.78Å; L554-L650 HydrophobicContact CG-CD2 4.44Å; L554-I653 HydrophobicContact CD2-CD1 3.88Å; L554-I653 HydrophobicContact CG-CD1 4.28Å; L554-F697 HydrophobicContact CD1-CD1 4.4Å; L554-F697 HydrophobicContact CD1-CE1 3.63Å; L554-F697 HydrophobicContact CD1-CZ 4.16Å |
| 555 | L | 96.4 | Very high | 92.3 | Very high | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57.7 | -38.4 | -179.7 | -76.6 | 169.2 | 0 | 0 | 0 | 112.7 | E231 I234 I238 V242 I551 S552 T558 R559 L565 | E231-L555 HydrophobicContact CG-CD2 4.28Å; I234-L555 HydrophobicContact CD1-CD1 3.84Å; I234-L555 HydrophobicContact CD1-CD2 4.39Å; I234-L555 HydrophobicContact CG1-CD1 4.08Å; I234-L555 HydrophobicContact CG1-CD2 4.27Å; I234-L555 HydrophobicContact CG2-CD1 3.83Å; I238-L555 HydrophobicContact CG2-CD1 4.23Å; V242-L555 HydrophobicContact CG1-CB 3.97Å; V242-L555 HydrophobicContact CG2-CB 3.91Å; V242-L555 HydrophobicContact CG2-CD1 4.34Å; I551-L555 HydrophobicContact CG2-CD1 3.87Å; I551-L555 HydrophobicContact CG2-CG 4.36Å; I551-L555 WeakPolarHBondContact O-CB 3.47Å; I551-L555 VanDerWaalsContact O-CG 3.32Å; I551-L555 WeakPolarHBondContact O-CG 3.32Å; I551-L555 PolarHBondContact O-N 3.35Å; S552-L555 PolarHBondContact O-N 3.01Å; L555-T558 WeakPolarHBondContact CA-OG1 3.32Å; L555-T558 PolarHBondContact O-OG1 3.46Å; L555-R559 WeakPolarHBondContact O-CB 3.49Å; L555-R559 PolarHBondContact O-N 2.82Å; L555-L565 HydrophobicContact CD2-CD1 3.57Å; L555-L565 HydrophobicContact CD2-CG 4.08Å; L555-L565 HydrophobicContact CG-CD1 3.79Å |
| 556 | R | 95.6 | Very high | 93.2 | Very high | 40 Ų | 40 | 32.5 Ų | 32.5 | 15% | 0.151 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.5 | -50 | 175.5 | -69.1 | 173.5 | -165.8 | -81.2 | -3.2 | 111.1 | M241 V242 M246 G535 S552 Q553 L554 R559 | M241-R556 PolarHBondContact O-NH1 2.92Å; M241-R556 VanDerWaalsContact O-NH1 3.07Å; V242-R556 HydrophobicContact CB-CG 4.42Å; V242-R556 HydrophobicContact CG1-CG 4.08Å; V242-R556 HydrophobicContact CG2-CG 4.05Å; M246-R556 VanDerWaalsContact O-CZ 3.31Å; M246-R556 PolarHBondContact O-NH1 3.32Å; M246-R556 VanDerWaalsContact O-NH1 3.1Å; M246-R556 PolarHBondContact O-NH2 2.74Å; G535-R556 PolarHBondContact O-NH2 3.14Å; S552-R556 WeakPolarHBondContact O-CG 3.42Å; S552-R556 PolarHBondContact O-N 3.27Å; Q553-R556 PolarHBondContact O-N 2.93Å; L554-R556 VanDerWaalsContact C-N 3.26Å; L554-R556 PolarHBondContact O-N 3.21Å; R556-R559 PolarHBondContact O-N 2.62Å |
| 557 | K | 95.3 | Very high | 93.7 | Very high | 20 Ų | 20 | 30.5 Ų | 30.5 | 9% | 0.087 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -69.5 | -39.5 | -177.8 | -170.2 | 64.5 | 74.7 | 174.8 | 0 | 112.3 | Q553 L554 R559 E560 H561 L649 E652 I653 D656 | Q553-K557 PolarHBondContact O-N 2.95Å; Q553-K557 VanDerWaalsContact O-N 3.13Å; L554-K557 PolarHBondContact O-N 2.9Å; L554-K557 VanDerWaalsContact O-N 3.14Å; K557-R559 VanDerWaalsContact C-N 3.29Å; K557-R559 PolarHBondContact O-N 3.22Å; K557-E560 IonicContact NZ-OE2 3.31Å; K557-E560 WeakPolarHBondContact O-CB 3.35Å; K557-E560 PolarHBondContact O-N 2.88Å; K557-H561 PolarHBondContact O-CD2 2.81Å; K557-H561 VanDerWaalsContact O-CD2 3.22Å; K557-L649 HydrophobicContact CG-CB 4.31Å; K557-L649 HydrophobicContact CG-CD2 4.16Å; K557-E652 HydrophobicContact CD-CG 4.35Å; K557-E652 WeakPolarHBondContact CD-OE1 3.04Å; K557-E652 WeakPolarHBondContact CE-OE1 3.37Å; K557-E652 IonicContact NZ-OE1 2.87Å; K557-E652 PolarHBondContact NZ-OE1 2.81Å; K557-I653 HydrophobicContact CB-CD1 4.01Å; K557-I653 HydrophobicContact CB-CG1 4.04Å; K557-I653 HydrophobicContact CG-CD1 4.37Å; K557-I653 HydrophobicContact CG-CG1 4.09Å; K557-D656 WeakPolarHBondContact CE-OD2 3.24Å; K557-D656 IonicContact NZ-OD2 3.3Å; K557-D656 PolarHBondContact NZ-OD2 3.43Å |
| 558 | T | 95.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.006 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -66.7 | -32.8 | -179.7 | 59.8 | 0 | 0 | 0 | 0 | 112.2 | I183 L554 L555 E560 H561 N562 I563 L565 L649 | I183-T558 HydrophobicContact CD1-CG2 3.77Å; I183-T558 HydrophobicContact CG1-CG2 4.3Å; L554-T558 WeakPolarHBondContact O-CB 3.39Å; L554-T558 WeakPolarHBondContact O-CG2 3.49Å; L554-T558 PolarHBondContact O-N 3.37Å; L554-T558 PolarHBondContact O-OG1 2.88Å; L554-T558 VanDerWaalsContact O-OG1 3.08Å; L555-T558 WeakPolarHBondContact CA-OG1 3.32Å; L555-T558 PolarHBondContact O-OG1 3.46Å; T558-E560 VanDerWaalsContact C-N 3.32Å; T558-E560 PolarHBondContact O-N 3.41Å; T558-H561 CarbonylContact O-C 3.49Å; T558-H561 PolarHBondContact O-N 3.43Å; T558-H561 VanDerWaalsContact O-N 3.1Å; T558-N562 PolarHBondContact O-N 3.35Å; T558-I563 CarbonylContact C-O 3.37Å; T558-I563 WeakPolarHBondContact CB-O 3.47Å; T558-I563 HydrophobicContact CG2-CB 4.24Å; T558-I563 HydrophobicContact CG2-CG2 3.93Å; T558-I563 PolarHBondContact O-N 2.96Å; T558-I563 PolarHBondContact OG1-O 3.2Å; T558-L565 HydrophobicContact CG2-CD2 4Å; T558-L649 HydrophobicContact CG2-CD1 3.51Å |
| 559 | R | 93.5 | Very high | 92.7 | Very high | 126 Ų | 126 | 37.7 Ų | 37.7 | 48% | 0.475 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -60.4 | -38.3 | 174.7 | 179.5 | -176.8 | 160.5 | -147.3 | -0.9 | 112.6 | V242 D243 L555 R556 K557 H561 N562 | V242-R559 PolarHBondContact O-NH1 3.22Å; D243-R559 VanDerWaalsContact C-NH1 3.27Å; D243-R559 PolarHBondContact O-NH1 3.23Å; D243-R559 PolarHBondContact O-NH2 2.89Å; L555-R559 WeakPolarHBondContact O-CB 3.49Å; L555-R559 PolarHBondContact O-N 2.82Å; R556-R559 PolarHBondContact O-N 2.62Å; K557-R559 VanDerWaalsContact C-N 3.29Å; K557-R559 PolarHBondContact O-N 3.22Å; R559-H561 PolarHBondContact O-N 3.38Å; R559-H561 VanDerWaalsContact O-N 3.12Å; R559-N562 PolarHBondContact O-N 3.32Å |
| 560 | E | 92.1 | Very high | 91.5 | Very high | 126 Ų | 126 | 40.9 Ų | 40.9 | 59% | 0.589 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -19.1 | 176.8 | -65.2 | 168.2 | -159.3 | 0 | 0 | 112.7 | K557 T558 | K557-E560 IonicContact NZ-OE2 3.31Å; K557-E560 WeakPolarHBondContact O-CB 3.35Å; K557-E560 PolarHBondContact O-N 2.88Å; T558-E560 VanDerWaalsContact C-N 3.32Å; T558-E560 PolarHBondContact O-N 3.41Å |
| 561 | H | 92.3 | Very high | 90.2 | Very high | 78 Ų | 78 | 48.2 Ų | 48.2 | 36% | 0.361 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.4 | 9.4 | -174.7 | -60.7 | -69.9 | 0 | 0 | 0 | 114.6 | K557 T558 R559 I563 L649 E652 | K557-H561 PolarHBondContact O-CD2 2.81Å; K557-H561 VanDerWaalsContact O-CD2 3.22Å; T558-H561 CarbonylContact O-C 3.49Å; T558-H561 PolarHBondContact O-N 3.43Å; T558-H561 VanDerWaalsContact O-N 3.1Å; R559-H561 PolarHBondContact O-N 3.38Å; R559-H561 VanDerWaalsContact O-N 3.12Å; H561-I563 HydrophobicContact CB-CD1 3.58Å; H561-I563 HydrophobicContact CB-CG1 3.86Å; H561-I563 PolarHBondContact O-N 3.46Å; H561-L649 WeakPolarHBondContact CD2-CD2 3.13Å; H561-E652 IonicContact NE2-OE2 3.41Å |
| 562 | N | 94.2 | Very high | 88.8 | Confident | 92 Ų | 92 | 53.1 Ų | 53.1 | 49% | 0.492 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51 | 43.9 | -171.5 | -62.7 | -45.7 | 0 | 0 | 0 | 112.7 | G180 R181 T558 R559 | G180-N562 CarbonylContact C-O 3.54Å; G180-N562 WeakPolarHBondContact CA-O 3.41Å; R181-N562 PolarHBondContact N-O 3.09Å; T558-N562 PolarHBondContact O-N 3.35Å; R559-N562 PolarHBondContact O-N 3.32Å |
| 563 | I | 96 | Very high | 87.3 | Confident | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 138.8 | 176.8 | -65.2 | 170.9 | 0 | 0 | 0 | 108.5 | R181 I183 T558 H561 T614 L649 | R181-I563 HydrophobicContact CG-CG1 3.83Å; R181-I563 CarbonylContact O-C 3.26Å; R181-I563 WeakPolarHBondContact O-CA 3.36Å; I183-I563 VanDerWaalsContact CA-CG2 3.41Å; I183-I563 HydrophobicContact CB-CG2 3.53Å; I183-I563 HydrophobicContact CG1-CG2 3.81Å; T558-I563 CarbonylContact C-O 3.37Å; T558-I563 WeakPolarHBondContact CB-O 3.47Å; T558-I563 HydrophobicContact CG2-CB 4.24Å; T558-I563 HydrophobicContact CG2-CG2 3.93Å; T558-I563 PolarHBondContact O-N 2.96Å; T558-I563 PolarHBondContact OG1-O 3.2Å; H561-I563 HydrophobicContact CB-CD1 3.58Å; H561-I563 HydrophobicContact CB-CG1 3.86Å; H561-I563 PolarHBondContact O-N 3.46Å; I563-T614 HydrophobicContact CD1-CG2 4.05Å; I563-L649 HydrophobicContact CD1-CD1 3.82Å; I563-L649 HydrophobicContact CD1-CD2 4.36Å; I563-L649 HydrophobicContact CD1-CG 4.38Å; I563-L649 HydrophobicContact CG2-CD1 4.42Å |
| 564 | F | 96.1 | Very high | 86.1 | Confident | 16 Ų | 16 | 61.3 Ų | 61.3 | 7% | 0.07 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 141.6 | -174.7 | -52 | -51.4 | 0 | 0 | 0 | 112 | L136 I178 R181 I183 F194 F230 E231 | L136-F564 HydrophobicContact CD1-CB 3.92Å; L136-F564 HydrophobicContact CD1-CD1 3.23Å; L136-F564 HydrophobicContact CD1-CD2 3.91Å; L136-F564 HydrophobicContact CD1-CE1 3.61Å; L136-F564 HydrophobicContact CD1-CE2 4.21Å; L136-F564 HydrophobicContact CD1-CG 3.4Å; L136-F564 VanDerWaalsContact CD1-CG 3.4Å; L136-F564 HydrophobicContact CD1-CZ 4.09Å; I178-F564 HydrophobicContact CD1-CZ 4Å; I178-F564 HydrophobicContact CG1-CZ 4.28Å; I178-F564 HydrophobicContact CG2-CE2 4.5Å; I178-F564 HydrophobicContact CG2-CZ 4.33Å; R181-F564 PolarHBondContact O-N 3.36Å; I183-F564 PolarHBondContact N-O 3.01Å; F194-F564 HydrophobicContact CB-CE2 4.44Å; F194-F564 HydrophobicContact CD1-CD2 4.08Å; F194-F564 AromaticContact CD2-CD2 3.77Å; F194-F564 HydrophobicContact CD2-CD2 3.77Å; F194-F564 AromaticContact CD2-CE2 3.71Å; F194-F564 HydrophobicContact CD2-CE2 3.71Å; F194-F564 HydrophobicContact CE1-CD2 4.05Å; F194-F564 AromaticContact CE2-CD2 3.75Å; F194-F564 HydrophobicContact CE2-CD2 3.75Å; F194-F564 HydrophobicContact CE2-CE2 4.06Å; F194-F564 AromaticContact CG-CD2 3.95Å; F194-F564 HydrophobicContact CG-CD2 3.95Å; F194-F564 HydrophobicContact CG-CE2 4.01Å; F194-F564 AromaticContact CZ-CD2 3.89Å; F194-F564 HydrophobicContact CZ-CD2 3.89Å; F230-F564 HydrophobicContact CB-CB 4.32Å; F230-F564 HydrophobicContact CD1-CB 3.81Å; F230-F564 HydrophobicContact CG-CB 4.41Å; E231-F564 WeakPolarHBondContact OE1-CA 3.29Å |
| 565 | L | 95.2 | Very high | 85 | Confident | 3 Ų | 3 | 68.2 Ų | 68.2 | 2% | 0.016 | 35% | 0.353 | C | S | . | . | trans | -86.6 | 120.6 | 178.7 | -56.7 | -173.6 | 0 | 0 | 0 | 110.9 | I183 F230 E231 I551 L554 L555 T558 L705 | I183-L565 HydrophobicContact CB-CD2 4.01Å; I183-L565 HydrophobicContact CD1-CD2 3.54Å; I183-L565 HydrophobicContact CG1-CD2 4.32Å; I183-L565 HydrophobicContact CG2-CD2 3.77Å; F230-L565 CarbonylContact C-O 3.49Å; F230-L565 WeakPolarHBondContact CA-O 3.43Å; F230-L565 WeakPolarHBondContact CB-O 3.35Å; F230-L565 VanDerWaalsContact CD1-C 3.46Å; E231-L565 HydrophobicContact CG-CB 3.94Å; E231-L565 WeakPolarHBondContact CG-O 3.44Å; E231-L565 PolarHBondContact N-O 3.31Å; E231-L565 PolarHBondContact OE1-N 2.9Å; I551-L565 HydrophobicContact CD1-CD1 4.26Å; L554-L565 HydrophobicContact CB-CD1 4.41Å; L555-L565 HydrophobicContact CD2-CD1 3.57Å; L555-L565 HydrophobicContact CD2-CG 4.08Å; L555-L565 HydrophobicContact CG-CD1 3.79Å; T558-L565 HydrophobicContact CG2-CD2 4Å; L565-L705 HydrophobicContact CB-CD1 4.06Å; L565-L705 HydrophobicContact CD1-CD1 4.06Å; L565-L705 HydrophobicContact CD2-CD1 4.23Å; L565-L705 HydrophobicContact CD2-CD2 4.13Å; L565-L705 HydrophobicContact CG-CD1 4.36Å | ||
| 566 | P | 93.6 | Very high | 84.1 | Confident | 21 Ų | 21 | 70.6 Ų | 70.6 | 14% | 0.136 | 36% | 0.363 | C | S | . | . | B | Isolated β-bridge | trans | -68.2 | 152.9 | 175.7 | 29.4 | -34.8 | 0 | 0 | 0 | 111 | Y184 F230 V568 | Y184-P566 HydrophobicContact CD2-CG 3.45Å; Y184-P566 VanDerWaalsContact CD2-CG 3.45Å; Y184-P566 HydrophobicContact CE2-CG 3.48Å; Y184-P566 VanDerWaalsContact CE2-CG 3.48Å; F230-P566 VanDerWaalsContact CD1-CA 3.41Å; F230-P566 HydrophobicContact CD1-CB 3.94Å; F230-P566 HydrophobicContact CE1-CB 3.63Å; F230-P566 HydrophobicContact CE1-CG 4.28Å; F230-P566 HydrophobicContact CZ-CB 3.98Å; P566-V568 HydrophobicContact CG-CG2 4.1Å; P566-V568 PolarHBondContact O-N 3.48Å; P566-V568 VanDerWaalsContact O-N 3.14Å |
| 567 | T | 91.2 | Very high | 83.4 | Confident | 14 Ų | 14 | 74.7 Ų | 74.7 | 9% | 0.086 | 39% | 0.387 | C | S | . | . | trans | -87.3 | 84.4 | 176.4 | -44.5 | 0 | 0 | 0 | 0 | 110.1 | R209 T229 E231 S232 N233 | R209-T567 VanDerWaalsContact NH1-CG2 3.33Å; R209-T567 VanDerWaalsContact NH2-CG2 3.28Å; T229-T567 WeakPolarHBondContact O-CB 3.15Å; T229-T567 PolarHBondContact O-N 2.71Å; T229-T567 PolarHBondContact O-OG1 2.99Å; E231-T567 PolarHBondContact N-OG1 2.82Å; S232-T567 PolarHBondContact N-OG1 3.47Å; S232-T567 WeakPolarHBondContact OG-CG2 3.24Å; S232-T567 PolarHBondContact OG-OG1 3.01Å; N233-T567 HydrophobicContact CB-CG2 3.8Å | ||
| 568 | V | 82.3 | Confident | 82.6 | Confident | 46 Ų | 46 | 75.5 Ų | 75.5 | 28% | 0.279 | 40% | 0.401 | S | S | . | . | trans | -71.7 | 138.4 | -177.9 | -170.7 | 0 | 0 | 0 | 0 | 110.8 | Y184 P566 | Y184-V568 HydrophobicContact CE2-CG2 4.29Å; P566-V568 HydrophobicContact CG-CG2 4.1Å; P566-V568 PolarHBondContact O-N 3.48Å; P566-V568 VanDerWaalsContact O-N 3.14Å | ||
| 569 | R | 73.3 | Confident | 81.8 | Confident | 173 Ų | 173 | 77.1 Ų | 77.1 | 65% | 0.653 | 41% | 0.414 | S | S | * | . | trans | -84.2 | 133.6 | 169.4 | -66.8 | -175.4 | -178.7 | 179.3 | 2.7 | 108.6 | E213 E571 | E213-R569 IonicContact OE2-CZ 3.16Å; E213-R569 IonicContact OE2-NH2 2.7Å; E213-R569 PolarHBondContact OE2-NH2 2.72Å; R569-E571 PolarHBondContact O-N 3.43Å | ||
| 570 | S | 66.8 | Low | 81 | Confident | 76 Ų | 76 | 72.3 Ų | 72.3 | 53% | 0.531 | 40% | 0.399 | S | S | . | . | trans | -66.2 | 114.5 | 177.3 | -57.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 571 | E | 65.4 | Low | 80.5 | Confident | 156 Ų | 156 | 68.1 Ų | 68.1 | 73% | 0.729 | 38% | 0.382 | S | S | * | . | trans | -110.5 | 150.7 | 170.3 | -68.2 | -179 | -177.4 | 0 | 0 | 109.7 | R569 G573 | R569-E571 PolarHBondContact O-N 3.43Å; E571-G573 PolarHBondContact O-N 3.33Å | ||
| 572 | A | 63.6 | Low | 80.3 | Confident | 105 Ų | 105 | 65.2 Ų | 65.2 | 87% | 0.868 | 37% | 0.369 | S | S | * | . | trans | -71.8 | 99.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 573 | G | 63.5 | Low | 80.2 | Confident | 34 Ų | 34 | 67 Ų | 67 | 35% | 0.351 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -74.1 | 163.2 | 178 | 0 | 0 | 0 | 0 | 0 | 113.5 | E571 Q701 | E571-G573 PolarHBondContact O-N 3.33Å; G573-Q701 PolarHBondContact O-NE2 2.72Å |
| 574 | E | 69.8 | Low | 80 | Confident | 158 Ų | 158 | 67.7 Ų | 67.7 | 74% | 0.738 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -74.1 | 152.2 | 175.5 | -63.6 | -178.4 | 171.7 | 0 | 0 | 112.1 | Q701 | E574-Q701 VanDerWaalsContact C-NE2 3.29Å; E574-Q701 PolarHBondContact O-NE2 3.18Å |
| 575 | D | 73.9 | Confident | 80 | Confident | 145 Ų | 145 | 68.3 Ų | 68.3 | 78% | 0.775 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -73.2 | 147 | 170.6 | -75.8 | -24.6 | 0 | 0 | 0 | 110.4 | Q701 | D575-Q701 PolarHBondContact OD1-NE2 2.85Š|
| 576 | F | 76.4 | Confident | 79.9 | Confident | 52 Ų | 52 | 75.1 Ų | 75.1 | 23% | 0.228 | 42% | 0.416 | C | S | . | . | trans | -124.4 | 158 | 179.2 | 69.6 | -87.2 | 0 | 0 | 0 | 113.2 | G578 L708 Q712 T715 | F576-G578 PolarHBondContact O-N 2.73Å; F576-L708 HydrophobicContact CD1-CD2 3.89Å; F576-L708 HydrophobicContact CE1-CD2 4.2Å; F576-Q712 HydrophobicContact CB-CG 3.61Å; F576-Q712 HydrophobicContact CD2-CG 3.96Å; F576-Q712 HydrophobicContact CG-CG 3.91Å; F576-T715 HydrophobicContact CE2-CG2 4.04Å | ||
| 577 | I | 80.7 | Confident | 79.9 | Confident | 125 Ų | 125 | 74.8 Ų | 74.8 | 64% | 0.641 | 42% | 0.417 | S | S | * | . | trans | -66.4 | 119.2 | -178.1 | -54.6 | 175.2 | 0 | 0 | 0 | 110 | T715 R719 | I577-T715 PolarHBondContact O-OG1 3.24Å; I577-R719 PolarHBondContact O-NH1 3.14Å | ||
| 578 | G | 78.9 | Confident | 80.1 | Confident | 38 Ų | 38 | 77 Ų | 77 | 39% | 0.392 | 42% | 0.424 | S | S | . | . | trans | -77.9 | -163 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | F576 R719 | F576-G578 PolarHBondContact O-N 2.73Å; G578-R719 PolarHBondContact O-NH1 2.73Å | ||
| 579 | A | 78.7 | Confident | 80.7 | Confident | 34 Ų | 34 | 76.3 Ų | 76.3 | 28% | 0.281 | 42% | 0.416 | S | S | . | . | trans | -66.2 | 162.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y602 T750 | A579-Y602 WeakPolarHBondContact CB-OH 3.36Å; A579-T750 HydrophobicContact CB-CG2 3.83Å | ||
| 580 | T | 76.8 | Confident | 81.6 | Confident | 25 Ų | 25 | 72.7 Ų | 72.7 | 15% | 0.153 | 41% | 0.41 | C | S | . | . | trans | -77.6 | 146.4 | 175.5 | -75.3 | 0 | 0 | 0 | 0 | 110.2 | R719 I722 T750 | T580-R719 WeakPolarHBondContact OG1-CA 3.44Å; T580-R719 WeakPolarHBondContact OG1-CB 3.2Å; T580-R719 WeakPolarHBondContact OG1-CD 3.39Å; T580-R719 WeakPolarHBondContact OG1-CG 3.42Å; T580-I722 HydrophobicContact CG2-CG2 4.29Å; T580-T750 PolarHBondContact O-N 3.36Å | ||
| 581 | V | 81.3 | Confident | 83 | Confident | 38 Ų | 38 | 72.2 Ų | 72.2 | 23% | 0.23 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 115.6 | 165.6 | -176.9 | 0 | 0 | 0 | 0 | 107.6 | Y747 G748 K800 | V581-Y747 HydrophobicContact CG1-CE2 3.79Å; V581-G748 WeakPolarHBondContact CA-O 3.42Å; V581-K800 HydrophobicContact CB-CD 4.22Å; V581-K800 HydrophobicContact CG1-CB 4.11Å; V581-K800 HydrophobicContact CG1-CD 3.67Å; V581-K800 HydrophobicContact CG1-CG 3.66Å |
| 582 | I | 89 | Confident | 84.5 | Confident | 18 Ų | 18 | 64.9 Ų | 64.9 | 9% | 0.092 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 133.5 | 172 | -63.3 | 171.4 | 0 | 0 | 0 | 107.4 | I722 K726 V745 Y747 G748 V753 | I582-I722 HydrophobicContact CD1-CG2 3.57Å; I582-I722 HydrophobicContact CG1-CG2 3.89Å; I582-K726 HydrophobicContact CD1-CB 4.16Å; I582-K726 HydrophobicContact CD1-CD 4.13Å; I582-V745 HydrophobicContact CD1-CG1 4.01Å; I582-Y747 WeakPolarHBondContact O-CD2 3.06Å; I582-G748 PolarHBondContact N-O 3.14Å; I582-V753 HydrophobicContact CD1-CG1 4.49Å |
| 583 | E | 91.2 | Very high | 86.1 | Confident | 130 Ų | 130 | 59.9 Ų | 59.9 | 61% | 0.607 | 32% | 0.323 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 127.8 | 178.7 | -73.2 | -60.4 | 155.6 | 0 | 0 | 110.7 | A585 K800 | E583-A585 PolarHBondContact O-N 3.41Å; E583-K800 WeakPolarHBondContact OE1-CE 3.43Å; E583-K800 IonicContact OE1-NZ 3.94Å; E583-K800 PolarHBondContact OE1-NZ 3Å; E583-K800 WeakPolarHBondContact OE2-CE 3.44Å; E583-K800 IonicContact OE2-NZ 2.77Å |
| 584 | P | 93.2 | Very high | 87.8 | Confident | 14 Ų | 14 | 58.2 Ų | 58.2 | 9% | 0.091 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 129.3 | -179.5 | 26.6 | -33 | 0 | 0 | 0 | 111 | K586 I746 Y747 L797 K800 | P584-K586 VanDerWaalsContact C-N 3.3Å; P584-K586 HydrophobicContact CG-CG 4.5Å; P584-K586 PolarHBondContact O-N 3.27Å; P584-I746 CarbonylContact C-O 3.53Å; P584-I746 WeakPolarHBondContact CA-O 3.05Å; P584-Y747 HydrophobicContact CB-CD2 3.7Å; P584-Y747 HydrophobicContact CB-CE2 4.33Å; P584-Y747 HydrophobicContact CB-CG 4.4Å; P584-Y747 HydrophobicContact CG-CD2 4.36Å; P584-L797 HydrophobicContact CB-CD1 3.9Å; P584-L797 HydrophobicContact CB-CD2 3.81Å; P584-L797 HydrophobicContact CB-CG 3.82Å; P584-K800 HydrophobicContact CG-CG 4.42Å |
| 585 | A | 95.2 | Very high | 89.1 | Confident | 29 Ų | 29 | 50.8 Ų | 50.8 | 24% | 0.24 | 27% | 0.271 | C | S | . | . | trans | -70.6 | 90 | 160.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | E583 Y589 I746 L797 | E583-A585 PolarHBondContact O-N 3.41Å; A585-Y589 WeakPolarHBondContact CB-OH 3.29Å; A585-Y589 WeakPolarHBondContact O-CE2 3.19Å; A585-Y589 PolarHBondContact O-OH 3.47Å; A585-I746 HydrophobicContact CB-CB 4.08Å; A585-I746 HydrophobicContact CB-CG2 4.33Å; A585-I746 PolarHBondContact N-O 3.28Å; A585-L797 VanDerWaalsContact O-CD2 3.3Å; A585-L797 WeakPolarHBondContact O-CD2 3.48Å | ||
| 586 | K | 93.3 | Very high | 90.2 | Very high | 147 Ų | 147 | 43.9 Ų | 43.9 | 64% | 0.639 | 23% | 0.234 | S | C | * | . | trans | -61.5 | 139.1 | -174.9 | -55.5 | -180 | -179.1 | 171 | 0 | 110.9 | P584 L797 I798 | P584-K586 VanDerWaalsContact C-N 3.3Å; P584-K586 HydrophobicContact CG-CG 4.5Å; P584-K586 PolarHBondContact O-N 3.27Å; K586-L797 WeakPolarHBondContact CA-O 3.36Å; K586-I798 WeakPolarHBondContact CD-O 3.39Å; K586-I798 WeakPolarHBondContact CE-O 3.14Å; K586-I798 VanDerWaalsContact CG-O 3.26Å; K586-I798 WeakPolarHBondContact CG-O 3.25Å | ||
| 587 | G | 93.5 | Very high | 91.1 | Very high | 14 Ų | 14 | 43.3 Ų | 43.3 | 14% | 0.144 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 164.6 | 168.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y589 L797 | G587-Y589 WeakPolarHBondContact O-CD2 3.4Å; G587-L797 PolarHBondContact N-O 3.47Å; G587-L797 PolarHBondContact O-N 2.79Å |
| 588 | Y | 94.3 | Very high | 91.8 | Very high | 60 Ų | 60 | 37.5 Ų | 37.5 | 24% | 0.235 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 110.9 | 167 | 176 | -108.7 | 0 | 0 | 0 | 109.7 | N590 P794 L796 I844 L845 I966 | Y588-N590 HydrophobicContact CE1-CB 3.98Å; Y588-P794 HydrophobicContact CE2-CB 3.88Å; Y588-P794 HydrophobicContact CE2-CG 4.27Å; Y588-L796 HydrophobicContact CD2-CB 4.49Å; Y588-L796 HydrophobicContact CD2-CD1 4.38Å; Y588-I844 HydrophobicContact CD2-CG2 4.37Å; Y588-I844 HydrophobicContact CE2-CG2 3.97Å; Y588-I844 PolarHBondContact OH-O 3.03Å; Y588-L845 HydrophobicContact CE2-CD2 4.18Å; Y588-I966 HydrophobicContact CG-CG1 4.46Å |
| 589 | Y | 95 | Very high | 92.4 | Very high | 32 Ų | 32 | 36.5 Ų | 36.5 | 13% | 0.125 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 101.6 | -179.4 | -65.9 | -95.2 | 0 | 0 | 0 | 109.6 | A585 G587 K591 I593 I746 P794 F795 L797 | A585-Y589 WeakPolarHBondContact CB-OH 3.29Å; A585-Y589 WeakPolarHBondContact O-CE2 3.19Å; A585-Y589 PolarHBondContact O-OH 3.47Å; G587-Y589 WeakPolarHBondContact O-CD2 3.4Å; Y589-K591 PolarHBondContact O-N 2.88Å; Y589-K591 VanDerWaalsContact O-N 3.11Å; Y589-I593 HydrophobicContact CD1-CD1 3.74Å; Y589-I593 HydrophobicContact CD1-CG1 4.33Å; Y589-I593 HydrophobicContact CE1-CD1 4.37Å; Y589-I593 HydrophobicContact CG-CD1 4.04Å; Y589-I593 HydrophobicContact CG-CG1 4.11Å; Y589-I746 HydrophobicContact CD1-CD1 4.31Å; Y589-I746 HydrophobicContact CD2-CD1 4.13Å; Y589-I746 HydrophobicContact CE1-CD1 3.89Å; Y589-I746 HydrophobicContact CE1-CG2 4.07Å; Y589-I746 HydrophobicContact CE2-CD1 3.71Å; Y589-I746 HydrophobicContact CG-CD1 4.42Å; Y589-P794 WeakPolarHBondContact O-CA 3.35Å; Y589-P794 WeakPolarHBondContact O-CB 3.35Å; Y589-F795 WeakPolarHBondContact CB-O 3.11Å; Y589-F795 HydrophobicContact CD2-CD1 4.09Å; Y589-F795 PolarHBondContact N-O 3.35Å; Y589-F795 PolarHBondContact O-N 2.99Å; Y589-L797 HydrophobicContact CD2-CB 4.4Å; Y589-L797 HydrophobicContact CE2-CB 4.04Å; Y589-L797 HydrophobicContact CE2-CD2 4.38Å |
| 590 | N | 93.7 | Very high | 93 | Very high | 96 Ų | 96 | 36.7 Ų | 36.7 | 51% | 0.513 | 19% | 0.191 | S | C | . | . | trans | -81.9 | 33.5 | 171.8 | -165 | 35.5 | 0 | 0 | 0 | 112.4 | Y588 F793 R848 | Y588-N590 HydrophobicContact CE1-CB 3.98Å; N590-F793 WeakPolarHBondContact O-CE2 3.45Å; N590-R848 PolarHBondContact OD1-NH1 2.84Å | ||
| 591 | K | 94.6 | Very high | 93.8 | Very high | 67 Ų | 67 | 35.8 Ų | 35.8 | 29% | 0.291 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -143.9 | 157.3 | 178.2 | 56.4 | 176.7 | 172 | 166.6 | 0 | 109.6 | Y589 I593 D756 F793 | Y589-K591 PolarHBondContact O-N 2.88Å; Y589-K591 VanDerWaalsContact O-N 3.11Å; K591-I593 PolarHBondContact O-N 2.98Å; K591-D756 VanDerWaalsContact CE-CG 3.45Å; K591-D756 WeakPolarHBondContact CE-OD1 3.36Å; K591-D756 WeakPolarHBondContact CE-OD2 3.2Å; K591-D756 IonicContact NZ-OD1 3.79Å; K591-D756 PolarHBondContact NZ-OD1 3.49Å; K591-D756 IonicContact NZ-OD2 3.88Å; K591-D756 PolarHBondContact NZ-OD2 2.97Å; K591-F793 VanDerWaalsContact C-CD2 3.43Å |
| 592 | P | 97.5 | Very high | 94.4 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | trans | -62.2 | 130.7 | -179 | -22.1 | 33 | 0 | 0 | 0 | 113 | V759 A760 L762 A765 V791 F793 | P592-V759 WeakPolarHBondContact CD-O 3.11Å; P592-A760 WeakPolarHBondContact CD-O 3.47Å; P592-A760 WeakPolarHBondContact CG-O 3.26Å; P592-L762 HydrophobicContact CG-CB 4.26Å; P592-A765 HydrophobicContact CB-CB 3.65Å; P592-A765 HydrophobicContact CG-CB 4.41Å; P592-V791 HydrophobicContact CB-CG1 3.66Å; P592-F793 HydrophobicContact CB-CB 4.35Å; P592-F793 HydrophobicContact CB-CG 4.44Å; P592-F793 HydrophobicContact CG-CB 4.4Å; P592-F793 HydrophobicContact CG-CD1 4.2Å; P592-F793 HydrophobicContact CG-CD2 4.11Å; P592-F793 HydrophobicContact CG-CE2 4.45Å; P592-F793 HydrophobicContact CG-CG 3.98Å | ||
| 593 | I | 98.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 118.4 | 175.2 | -60 | -55.9 | 0 | 0 | 0 | 109.2 | Y589 K591 I746 M754 D756 V791 Y792 F795 | Y589-I593 HydrophobicContact CD1-CD1 3.74Å; Y589-I593 HydrophobicContact CD1-CG1 4.33Å; Y589-I593 HydrophobicContact CE1-CD1 4.37Å; Y589-I593 HydrophobicContact CG-CD1 4.04Å; Y589-I593 HydrophobicContact CG-CG1 4.11Å; K591-I593 PolarHBondContact O-N 2.98Å; I593-I746 HydrophobicContact CD1-CD1 3.88Å; I593-I746 HydrophobicContact CG1-CD1 4.06Å; I593-I746 HydrophobicContact CG2-CD1 3.75Å; I593-I746 HydrophobicContact CG2-CG1 4.3Å; I593-M754 HydrophobicContact CG2-CB 3.97Å; I593-D756 HydrophobicContact CD1-CB 3.79Å; I593-V791 CarbonylContact O-C 3.58Å; I593-V791 WeakPolarHBondContact O-CA 3.41Å; I593-Y792 PolarHBondContact N-O 3.46Å; I593-Y792 PolarHBondContact O-N 3.34Å; I593-F795 HydrophobicContact CB-CB 4.29Å; I593-F795 HydrophobicContact CB-CD1 4.12Å; I593-F795 HydrophobicContact CB-CG 4.34Å; I593-F795 HydrophobicContact CG1-CB 3.95Å; I593-F795 HydrophobicContact CG1-CD1 3.88Å; I593-F795 HydrophobicContact CG1-CG 4.25Å; I593-F795 HydrophobicContact CG2-CD1 4.07Å; I593-F795 HydrophobicContact CG2-CE1 4.32Å |
| 594 | T | 98.4 | Very high | 95 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 133.2 | -175.2 | -64.8 | 0 | 0 | 0 | 0 | 111.1 | L596 M754 V755 F757 A765 F788 | T594-L596 HydrophobicContact CG2-CD2 3.9Å; T594-M754 CarbonylContact O-C 3.54Å; T594-M754 WeakPolarHBondContact O-CA 3.41Å; T594-V755 PolarHBondContact N-O 3.13Å; T594-V755 PolarHBondContact O-N 3.44Å; T594-F757 HydrophobicContact CG2-CE2 3.95Å; T594-A765 PolarHBondContact OG1-O 2.75Å; T594-F788 HydrophobicContact CG2-CD2 3.88Å; T594-F788 HydrophobicContact CG2-CE2 3.9Å |
| 595 | T | 97.7 | Very high | 95.1 | Very high | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.012 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 126.8 | 175.3 | -53 | 0 | 0 | 0 | 0 | 110.5 | V753 M754 E789 K790 | T595-V753 WeakPolarHBondContact CA-O 3.46Å; T595-M754 HydrophobicContact CG2-CG 4.44Å; T595-E789 PolarHBondContact O-N 3.05Å; T595-K790 HydrophobicContact CG2-CG 4.43Å; T595-K790 PolarHBondContact N-O 2.77Å |
| 596 | L | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 134.5 | 173.1 | -48.8 | 178.9 | 0 | 0 | 0 | 108.3 | T594 S752 V753 V755 G769 A772 A773 L786 E787 F788 | T594-L596 HydrophobicContact CG2-CD2 3.9Å; L596-S752 CarbonylContact O-C 3.59Å; L596-S752 WeakPolarHBondContact O-CA 3.49Å; L596-V753 HydrophobicContact CB-CG2 3.88Å; L596-V753 HydrophobicContact CD1-CG2 4.31Å; L596-V753 HydrophobicContact CG-CG2 4.37Å; L596-V753 PolarHBondContact N-O 3.06Å; L596-V753 PolarHBondContact O-N 3.33Å; L596-V755 HydrophobicContact CD1-CG2 4.19Å; L596-V755 HydrophobicContact CG-CG2 4.46Å; L596-G769 WeakPolarHBondContact CD2-O 3.3Å; L596-A772 HydrophobicContact CD1-CB 3.84Å; L596-A773 HydrophobicContact CD2-CB 4.33Å; L596-L786 HydrophobicContact CB-CD1 4.05Å; L596-L786 HydrophobicContact CB-CD2 3.7Å; L596-L786 HydrophobicContact CB-CG 3.8Å; L596-L786 HydrophobicContact CD1-CD2 3.7Å; L596-L786 HydrophobicContact CG-CD2 4.31Å; L596-E787 WeakPolarHBondContact CA-O 3.22Å; L596-F788 HydrophobicContact CD2-CB 4.43Å; L596-F788 HydrophobicContact CD2-CD2 4.42Å |
| 597 | D | 95.2 | Very high | 95.4 | Very high | 39 Ų | 39 | 21.4 Ų | 21.4 | 21% | 0.209 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 140.6 | -175.4 | -172.5 | 26.7 | 0 | 0 | 0 | 111.5 | D751 E787 E789 | D597-D751 VanDerWaalsContact OD1-C 3.26Å; D597-D751 WeakPolarHBondContact OD1-CB 3.39Å; D597-D751 VanDerWaalsContact OD1-CG 3.26Å; D597-E787 PolarHBondContact N-O 3.45Å; D597-E787 PolarHBondContact O-N 3.31Å; D597-E789 HydrophobicContact CB-CB 4.37Å |
| 598 | F | 95.1 | Very high | 95.6 | Very high | 4 Ų | 4 | 22 Ų | 22 | 2% | 0.018 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 123.9 | 177.5 | -81.4 | -73.1 | 0 | 0 | 0 | 111 | S600 L601 M721 I722 T725 D751 F780 I784 L786 | F598-S600 PolarHBondContact O-N 3.15Å; F598-L601 HydrophobicContact CB-CB 3.85Å; F598-L601 HydrophobicContact CB-CD1 3.71Å; F598-L601 HydrophobicContact CB-CG 4.28Å; F598-L601 HydrophobicContact CD1-CD1 4.2Å; F598-L601 HydrophobicContact CD2-CD1 3.85Å; F598-L601 HydrophobicContact CE2-CD1 4.49Å; F598-L601 HydrophobicContact CG-CD1 3.68Å; F598-M721 HydrophobicContact CD1-CE 3.81Å; F598-M721 HydrophobicContact CD2-CE 4.39Å; F598-M721 HydrophobicContact CE1-CE 3.39Å; F598-M721 HydrophobicContact CE2-CB 4.23Å; F598-M721 HydrophobicContact CE2-CE 4.03Å; F598-M721 HydrophobicContact CG-CE 4.3Å; F598-M721 HydrophobicContact CZ-CB 4.07Å; F598-M721 HydrophobicContact CZ-CE 3.51Å; F598-I722 HydrophobicContact CD2-CD1 4.21Å; F598-I722 HydrophobicContact CE2-CD1 4.03Å; F598-T725 WeakPolarHBondContact CZ-OG1 3.44Å; F598-D751 HydrophobicContact CB-CB 4.28Å; F598-D751 VanDerWaalsContact CD2-O 3.29Å; F598-D751 WeakPolarHBondContact CD2-O 3.34Å; F598-D751 PolarHBondContact N-O 3Å; F598-F780 HydrophobicContact CE1-CD2 4Å; F598-F780 AromaticContact CE1-CE2 3.95Å; F598-F780 HydrophobicContact CE1-CE2 3.95Å; F598-F780 HydrophobicContact CZ-CD2 4.22Å; F598-F780 AromaticContact CZ-CE2 3.7Å; F598-F780 HydrophobicContact CZ-CE2 3.7Å; F598-F780 HydrophobicContact CZ-CZ 4.12Å; F598-I784 HydrophobicContact CD1-CG2 3.92Å; F598-I784 HydrophobicContact CE1-CG2 3.76Å; F598-L786 HydrophobicContact CD1-CB 4.4Å; F598-L786 HydrophobicContact CD1-CD1 3.98Å; F598-L786 HydrophobicContact CD2-CD1 3.92Å; F598-L786 HydrophobicContact CE1-CB 4.31Å; F598-L786 HydrophobicContact CE1-CD1 4.08Å; F598-L786 HydrophobicContact CE2-CD1 4.03Å; F598-L786 HydrophobicContact CG-CD1 3.89Å; F598-L786 HydrophobicContact CZ-CD1 4.1Å |
| 599 | A | 91.8 | Very high | 95.7 | Very high | 17 Ų | 17 | 20.7 Ų | 20.7 | 14% | 0.14 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | 109.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L601 S604 R785 E787 | A599-L601 PolarHBondContact O-N 3.39Å; A599-S604 PolarHBondContact O-OG 3.21Å; A599-R785 HydrophobicContact CB-CG 3.81Å; A599-R785 PolarHBondContact N-O 3.48Å; A599-E787 HydrophobicContact CB-CG 4.22Å; A599-E787 WeakPolarHBondContact CB-OE1 3.44Å |
| 600 | S | 90.5 | Very high | 95.9 | Very high | 38 Ų | 38 | 19.4 Ų | 19.4 | 27% | 0.266 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.7 | 52.6 | 179 | -50.4 | 0 | 0 | 0 | 0 | 112.4 | F598 Y602 P603 S604 | F598-S600 PolarHBondContact O-N 3.15Å; S600-Y602 PolarHBondContact O-N 3.01Å; S600-P603 WeakPolarHBondContact O-CD 3.38Å; S600-S604 WeakPolarHBondContact O-CB 3.3Å; S600-S604 PolarHBondContact O-N 2.81Å; S600-S604 PolarHBondContact O-OG 3.19Å; S600-S604 VanDerWaalsContact O-OG 3.06Å |
| 601 | L | 93.7 | Very high | 96.1 | Very high | 6 Ų | 6 | 14.8 Ų | 14.8 | 3% | 0.031 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -41.5 | -58.8 | -169.4 | 179.2 | 63.9 | 0 | 0 | 0 | 114.3 | F598 A599 S604 I605 M721 T750 D751 | F598-L601 HydrophobicContact CB-CB 3.85Å; F598-L601 HydrophobicContact CB-CD1 3.71Å; F598-L601 HydrophobicContact CB-CG 4.28Å; F598-L601 HydrophobicContact CD1-CD1 4.2Å; F598-L601 HydrophobicContact CD2-CD1 3.85Å; F598-L601 HydrophobicContact CE2-CD1 4.49Å; F598-L601 HydrophobicContact CG-CD1 3.68Å; A599-L601 PolarHBondContact O-N 3.39Å; L601-S604 PolarHBondContact O-N 3.05Å; L601-I605 HydrophobicContact CD1-CD1 3.64Å; L601-I605 HydrophobicContact CD1-CG1 4.09Å; L601-I605 HydrophobicContact CD2-CD1 4.47Å; L601-I605 HydrophobicContact CG-CD1 3.78Å; L601-I605 WeakPolarHBondContact O-CG1 3.21Å; L601-I605 PolarHBondContact O-N 2.88Å; L601-M721 HydrophobicContact CD1-CE 3.4Å; L601-M721 VanDerWaalsContact CD1-CE 3.4Å; L601-M721 HydrophobicContact CD1-SD 4.12Å; L601-T750 WeakPolarHBondContact CD2-O 3.39Å; L601-D751 HydrophobicContact CB-CB 3.92Å; L601-D751 HydrophobicContact CD2-CB 3.75Å; L601-D751 HydrophobicContact CG-CB 4.43Å |
| 602 | Y | 94.5 | Very high | 96.2 | Very high | 39 Ų | 39 | 11.6 Ų | 11.6 | 15% | 0.153 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -66.7 | -47.7 | -174.4 | -63.8 | -21.3 | 0 | 0 | 0 | 113.7 | A579 S600 S604 I605 M606 Y695 T714 | A579-Y602 WeakPolarHBondContact CB-OH 3.36Å; S600-Y602 PolarHBondContact O-N 3.01Å; Y602-S604 VanDerWaalsContact C-N 3.26Å; Y602-S604 PolarHBondContact O-N 3.43Å; Y602-I605 HydrophobicContact CD1-CD1 4.37Å; Y602-I605 PolarHBondContact O-N 2.83Å; Y602-M606 WeakPolarHBondContact O-CG 3.22Å; Y602-M606 PolarHBondContact O-N 3.12Å; Y602-Y695 AromaticContact CD2-CD1 3.52Å; Y602-Y695 HydrophobicContact CD2-CD1 3.52Å; Y602-Y695 HydrophobicContact CD2-CD2 4.14Å; Y602-Y695 AromaticContact CD2-CE1 3.67Å; Y602-Y695 HydrophobicContact CD2-CE1 3.67Å; Y602-Y695 HydrophobicContact CD2-CE2 4.26Å; Y602-Y695 AromaticContact CD2-CG 3.77Å; Y602-Y695 HydrophobicContact CD2-CG 3.77Å; Y602-Y695 HydrophobicContact CE2-CD1 4Å; Y602-Y695 AromaticContact CE2-CE1 3.64Å; Y602-Y695 HydrophobicContact CE2-CE1 3.64Å; Y602-Y695 HydrophobicContact CE2-CE2 4.42Å; Y602-Y695 AromaticContact CE2-CZ 3.87Å; Y602-Y695 HydrophobicContact CG-CD1 4.48Å; Y602-Y695 HydrophobicContact CG-CD2 4.46Å; Y602-Y695 HydrophobicContact CG-CG 4.31Å; Y602-T714 HydrophobicContact CD1-CG2 3.67Å; Y602-T714 HydrophobicContact CE1-CG2 4.49Å; Y602-T714 HydrophobicContact CG-CG2 3.82Å |
| 603 | P | 95.5 | Very high | 96.1 | Very high | 5 Ų | 5 | 11.6 Ų | 11.6 | 3% | 0.032 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -48.7 | -46.8 | 166.5 | -33.1 | 36.8 | 0 | 0 | 0 | 113.7 | S600 M606 M607 L654 L658 | S600-P603 WeakPolarHBondContact O-CD 3.38Å; P603-M606 PolarHBondContact O-N 2.92Å; P603-M607 WeakPolarHBondContact O-CG 3.37Å; P603-M607 PolarHBondContact O-N 3.2Å; P603-L654 HydrophobicContact CB-CD1 4.38Å; P603-L654 HydrophobicContact CB-CD2 4Å; P603-L654 HydrophobicContact CG-CD2 4.29Å; P603-L658 HydrophobicContact CB-CD1 4.3Å |
| 604 | S | 95.8 | Very high | 96 | Very high | 7 Ų | 7 | 11.8 Ų | 11.8 | 5% | 0.049 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -65 | -42.1 | -178.1 | -59.9 | 0 | 0 | 0 | 0 | 112.5 | A599 S600 L601 Y602 M607 A608 | A599-S604 PolarHBondContact O-OG 3.21Å; S600-S604 WeakPolarHBondContact O-CB 3.3Å; S600-S604 PolarHBondContact O-N 2.81Å; S600-S604 PolarHBondContact O-OG 3.19Å; S600-S604 VanDerWaalsContact O-OG 3.06Å; L601-S604 PolarHBondContact O-N 3.05Å; Y602-S604 VanDerWaalsContact C-N 3.26Å; Y602-S604 PolarHBondContact O-N 3.43Å; S604-M607 PolarHBondContact O-N 3.36Å; S604-A608 VanDerWaalsContact O-CB 3.29Å; S604-A608 WeakPolarHBondContact O-CB 3.36Å; S604-A608 PolarHBondContact O-N 3.12Å |
| 605 | I | 96.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -61.7 | -46.8 | 174.1 | -71.9 | 170.4 | 0 | 0 | 0 | 111.2 | L601 Y602 M607 A608 H609 L611 T714 F717 M721 I784 | L601-I605 HydrophobicContact CD1-CD1 3.64Å; L601-I605 HydrophobicContact CD1-CG1 4.09Å; L601-I605 HydrophobicContact CD2-CD1 4.47Å; L601-I605 HydrophobicContact CG-CD1 3.78Å; L601-I605 WeakPolarHBondContact O-CG1 3.21Å; L601-I605 PolarHBondContact O-N 2.88Å; Y602-I605 HydrophobicContact CD1-CD1 4.37Å; Y602-I605 PolarHBondContact O-N 2.83Å; I605-M607 VanDerWaalsContact C-N 3.27Å; I605-M607 PolarHBondContact O-N 3Å; I605-A608 PolarHBondContact O-N 3.23Å; I605-H609 PolarHBondContact O-N 2.8Å; I605-L611 HydrophobicContact CG2-CD1 3.92Å; I605-T714 HydrophobicContact CB-CG2 4.28Å; I605-T714 WeakPolarHBondContact CD1-O 3.46Å; I605-T714 HydrophobicContact CG2-CG2 4.03Å; I605-F717 HydrophobicContact CD1-CB 4.1Å; I605-F717 HydrophobicContact CG1-CB 4.39Å; I605-F717 HydrophobicContact CG2-CB 3.67Å; I605-F717 HydrophobicContact CG2-CD2 4.01Å; I605-F717 HydrophobicContact CG2-CG 4.17Å; I605-M721 HydrophobicContact CD1-SD 3.71Å; I605-M721 HydrophobicContact CG1-CE 4.42Å; I605-M721 HydrophobicContact CG1-SD 3.65Å; I605-I784 HydrophobicContact CG1-CD1 4.28Å |
| 606 | M | 97.7 | Very high | 95.9 | Very high | 1 Ų | 1 | 12.1 Ų | 12.1 | 1% | 0.005 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -60.5 | -40.2 | -179.9 | -71.5 | 177.4 | 66.1 | 0 | 0 | 111.2 | Y602 P603 N610 L611 L650 L654 V694 T698 I710 T714 | Y602-M606 WeakPolarHBondContact O-CG 3.22Å; Y602-M606 PolarHBondContact O-N 3.12Å; P603-M606 PolarHBondContact O-N 2.92Å; M606-N610 CarbonylContact O-C 3.58Å; M606-N610 WeakPolarHBondContact O-CA 3.32Å; M606-N610 PolarHBondContact O-N 3.13Å; M606-N610 VanDerWaalsContact O-N 3.13Å; M606-L611 HydrophobicContact CB-CB 4.43Å; M606-L611 HydrophobicContact CG-CB 4.36Å; M606-L611 HydrophobicContact CG-CD1 4.38Å; M606-L611 PolarHBondContact O-N 2.86Å; M606-L650 HydrophobicContact CE-CB 4.04Å; M606-L650 HydrophobicContact CE-CD1 3.6Å; M606-L650 HydrophobicContact CE-CG 4.45Å; M606-L654 HydrophobicContact CB-CD1 3.74Å; M606-L654 HydrophobicContact CE-CD1 4.2Å; M606-L654 HydrophobicContact SD-CD1 4.19Å; M606-V694 HydrophobicContact CE-CG1 4Å; M606-T698 HydrophobicContact CE-CG2 4.5Å; M606-I710 HydrophobicContact CE-CG2 3.9Å; M606-T714 HydrophobicContact CG-CG2 4.15Å; M606-T714 WeakPolarHBondContact CG-OG1 3.34Å |
| 607 | M | 97.2 | Very high | 95.9 | Very high | 21 Ų | 21 | 12.7 Ų | 12.7 | 10% | 0.103 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -69.1 | -53.6 | 175.2 | -68.2 | -176.7 | -64 | 0 | 0 | 112.6 | P603 S604 I605 H609 N610 P651 L654 D655 L658 P783 | P603-M607 WeakPolarHBondContact O-CG 3.37Å; P603-M607 PolarHBondContact O-N 3.2Å; S604-M607 PolarHBondContact O-N 3.36Å; I605-M607 VanDerWaalsContact C-N 3.27Å; I605-M607 PolarHBondContact O-N 3Å; M607-H609 VanDerWaalsContact C-N 3.29Å; M607-H609 PolarHBondContact O-N 3.16Å; M607-N610 PolarHBondContact O-N 3.19Å; M607-N610 VanDerWaalsContact O-N 3.12Å; M607-P651 HydrophobicContact CG-CB 4.36Å; M607-L654 HydrophobicContact CG-CB 3.89Å; M607-L654 HydrophobicContact CG-CD1 4.33Å; M607-L654 HydrophobicContact SD-CB 3.89Å; M607-D655 HydrophobicContact SD-CB 4.1Å; M607-L658 HydrophobicContact CE-CD1 3.35Å; M607-L658 HydrophobicContact SD-CD1 4.1Å; M607-P783 HydrophobicContact CB-CG 4.34Å; M607-P783 HydrophobicContact CE-CG 3.57Å; M607-P783 HydrophobicContact SD-CG 4.5Å |
| 608 | A | 96.6 | Very high | 95.6 | Very high | 26 Ų | 26 | 14.9 Ų | 14.9 | 22% | 0.215 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -62 | -35.3 | -174 | 0 | 0 | 0 | 0 | 0 | 113.2 | S604 I605 P781 I784 | S604-A608 VanDerWaalsContact O-CB 3.29Å; S604-A608 WeakPolarHBondContact O-CB 3.36Å; S604-A608 PolarHBondContact O-N 3.12Å; I605-A608 PolarHBondContact O-N 3.23Å; A608-P781 HydrophobicContact CB-CB 4.49Å; A608-P781 HydrophobicContact CB-CG 4.11Å; A608-I784 HydrophobicContact CB-CD1 3.7Å; A608-I784 HydrophobicContact CB-CG1 3.93Å |
| 609 | H | 97.4 | Very high | 95.4 | Very high | 33 Ų | 33 | 16.7 Ų | 16.7 | 15% | 0.153 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 11 | 179.1 | -59.5 | -68.5 | 0 | 0 | 0 | 113.3 | I605 M607 L611 F717 | I605-H609 PolarHBondContact O-N 2.8Å; M607-H609 VanDerWaalsContact C-N 3.29Å; M607-H609 PolarHBondContact O-N 3.16Å; H609-L611 VanDerWaalsContact C-N 3.29Å; H609-L611 HydrophobicContact CB-CD2 3.98Å; H609-L611 HydrophobicContact CB-CG 4.04Å; H609-L611 PolarHBondContact O-N 3.1Å; H609-F717 HydrophobicContact CB-CD2 4.41Å; H609-F717 HydrophobicContact CB-CE2 3.86Å; H609-F717 HydrophobicContact CB-CZ 4.17Å; H609-F717 AromaticContact CD2-CD1 3.97Å; H609-F717 AromaticContact CD2-CD2 3.87Å; H609-F717 AromaticContact CD2-CE2 3.94Å; H609-F717 AromaticContact CD2-CG 3.89Å; H609-F717 AromaticContact CE1-CE1 3.66Å; H609-F717 AromaticContact CE1-CZ 3.99Å; H609-F717 AromaticContact CG-CE2 3.71Å; H609-F717 AromaticContact CG-CZ 3.69Å; H609-F717 AromaticContact ND1-CE1 3.84Å; H609-F717 AromaticContact ND1-CZ 3.68Å; H609-F717 AromaticContact NE2-CD1 3.69Å; H609-F717 AromaticContact NE2-CE1 3.79Å |
| 610 | N | 97.7 | Very high | 95.4 | Very high | 5 Ų | 5 | 21.2 Ų | 21.2 | 3% | 0.027 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 41.5 | 176.2 | -162.8 | 39.2 | 0 | 0 | 0 | 113.9 | M606 M607 C612 T615 V641 Q643 C646 G648 | M606-N610 CarbonylContact O-C 3.58Å; M606-N610 WeakPolarHBondContact O-CA 3.32Å; M606-N610 PolarHBondContact O-N 3.13Å; M606-N610 VanDerWaalsContact O-N 3.13Å; M607-N610 PolarHBondContact O-N 3.19Å; M607-N610 VanDerWaalsContact O-N 3.12Å; N610-C612 PolarHBondContact O-N 2.85Å; N610-T615 VanDerWaalsContact ND2-CG2 3.32Å; N610-T615 WeakPolarHBondContact ND2-CG2 3.4Å; N610-T615 PolarHBondContact O-OG1 3.45Å; N610-V641 PolarHBondContact ND2-O 3.34Å; N610-Q643 HydrophobicContact CB-CB 4.49Å; N610-Q643 PolarHBondContact ND2-N 3.27Å; N610-C646 PolarHBondContact ND2-O 3.49Å; N610-G648 PolarHBondContact OD1-N 3.33Å |
| 611 | L | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -78.2 | 106.5 | -175.1 | -51.8 | 177.6 | 0 | 0 | 0 | 110.9 | I605 M606 H609 T634 F640 I710 T714 F717 | I605-L611 HydrophobicContact CG2-CD1 3.92Å; M606-L611 HydrophobicContact CB-CB 4.43Å; M606-L611 HydrophobicContact CG-CB 4.36Å; M606-L611 HydrophobicContact CG-CD1 4.38Å; M606-L611 PolarHBondContact O-N 2.86Å; H609-L611 VanDerWaalsContact C-N 3.29Å; H609-L611 HydrophobicContact CB-CD2 3.98Å; H609-L611 HydrophobicContact CB-CG 4.04Å; H609-L611 PolarHBondContact O-N 3.1Å; L611-T634 HydrophobicContact CD2-CG2 4.11Å; L611-F640 HydrophobicContact CD2-CD1 4.29Å; L611-F640 HydrophobicContact CD2-CD2 3.61Å; L611-F640 HydrophobicContact CD2-CE1 4.42Å; L611-F640 HydrophobicContact CD2-CE2 3.77Å; L611-F640 HydrophobicContact CD2-CG 3.89Å; L611-F640 HydrophobicContact CD2-CZ 4.18Å; L611-I710 HydrophobicContact CB-CG2 4.22Å; L611-T714 WeakPolarHBondContact CD1-OG1 3.39Å; L611-F717 HydrophobicContact CD1-CD2 4.33Å; L611-F717 HydrophobicContact CD2-CE2 4.31Å | ||
| 612 | C | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | trans | -151.7 | 159.3 | -176.8 | -169.9 | 0 | 0 | 0 | 0 | 111.9 | N610 T614 T615 L616 L649 L650 | N610-C612 PolarHBondContact O-N 2.85Å; C612-T614 PolarHBondContact O-N 3.41Å; C612-T614 PolarHBondContact SG-OG1 2.81Å; C612-T614 VanDerWaalsContact SG-OG1 3.41Å; C612-T615 HydrophobicContact CB-CG2 4.18Å; C612-T615 WeakPolarHBondContact CB-OG1 3.46Å; C612-T615 PolarHBondContact N-OG1 2.78Å; C612-T615 VanDerWaalsContact N-OG1 3.11Å; C612-T615 PolarHBondContact O-N 3.41Å; C612-T615 PolarHBondContact O-OG1 3.13Å; C612-T615 VanDerWaalsContact O-OG1 3.12Å; C612-L616 PolarHBondContact O-N 2.75Å; C612-L616 VanDerWaalsContact O-N 3.14Å; C612-L649 PolarHBondContact SG-N 2.72Å; C612-L650 HydrophobicContact CB-CB 4.27Å; C612-L650 PolarHBondContact SG-N 2.78Å | ||
| 613 | Y | 96.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -44.1 | 169.7 | -57.8 | -85.5 | 0 | 0 | 0 | 111.6 | I183 Y184 C185 L554 T615 L650 F697 T698 L705 C707 I710 | I183-Y613 HydrophobicContact CD1-CD2 4Å; I183-Y613 HydrophobicContact CD1-CG 4.3Å; I183-Y613 HydrophobicContact CG1-CG 4.45Å; I183-Y613 CarbonylContact O-C 3.58Å; I183-Y613 VanDerWaalsContact O-CB 3.29Å; I183-Y613 WeakPolarHBondContact O-CB 3.32Å; Y184-Y613 HydrophobicContact CD1-CD1 4.13Å; Y184-Y613 AromaticContact CE1-CD1 3.73Å; Y184-Y613 HydrophobicContact CE1-CD1 3.73Å; Y184-Y613 HydrophobicContact CE1-CE1 4.14Å; Y184-Y613 AromaticContact CZ-CD1 3.99Å; C185-Y613 WeakPolarHBondContact CA-O 3.24Å; C185-Y613 PolarHBondContact N-O 3.29Å; L554-Y613 HydrophobicContact CD1-CE2 4.38Å; Y613-T615 PolarHBondContact O-N 2.95Å; Y613-L650 HydrophobicContact CD2-CD1 3.86Å; Y613-L650 HydrophobicContact CD2-CD2 4.44Å; Y613-L650 HydrophobicContact CD2-CG 4.02Å; Y613-L650 HydrophobicContact CE2-CD1 3.62Å; Y613-L650 HydrophobicContact CE2-CD2 4.09Å; Y613-L650 HydrophobicContact CE2-CG 4Å; Y613-F697 VanDerWaalsContact OH-CE1 3.31Å; Y613-F697 WeakPolarHBondContact OH-CE1 3.4Å; Y613-T698 HydrophobicContact CE2-CG2 4.35Å; Y613-L705 HydrophobicContact CD1-CD2 4.3Å; Y613-L705 HydrophobicContact CE1-CB 4.23Å; Y613-L705 HydrophobicContact CE1-CD2 4.05Å; Y613-L705 PolarHBondContact OH-O 3.28Å; Y613-C707 HydrophobicContact CD1-CB 3.8Å; Y613-C707 HydrophobicContact CE1-CB 3.33Å; Y613-I710 HydrophobicContact CD1-CD1 4.27Å; Y613-I710 HydrophobicContact CD2-CD1 4.31Å; Y613-I710 HydrophobicContact CE1-CD1 4.42Å; Y613-I710 HydrophobicContact CE2-CD1 4.45Å; Y613-I710 HydrophobicContact CG-CD1 4.2Å |
| 614 | T | 95.8 | Very high | 95.2 | Very high | 4 Ų | 4 | 28.6 Ų | 28.6 | 3% | 0.025 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -12.1 | -174.3 | 56.6 | 0 | 0 | 0 | 0 | 113.8 | I183 I563 C612 L649 | I183-T614 HydrophobicContact CG1-CG2 3.71Å; I183-T614 WeakPolarHBondContact O-CA 3.46Å; I183-T614 WeakPolarHBondContact O-CG2 3.35Å; I183-T614 PolarHBondContact O-N 2.89Å; I183-T614 VanDerWaalsContact O-N 3.17Å; I563-T614 HydrophobicContact CD1-CG2 4.05Å; C612-T614 PolarHBondContact O-N 3.41Å; C612-T614 PolarHBondContact SG-OG1 2.81Å; C612-T614 VanDerWaalsContact SG-OG1 3.41Å; T614-L649 HydrophobicContact CG2-CD1 3.92Å; T614-L649 HydrophobicContact CG2-CG 3.93Å |
| 615 | T | 96.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | -11.9 | -175.8 | 59.7 | 0 | 0 | 0 | 0 | 112.4 | N610 C612 Y613 I617 F640 V641 C646 | N610-T615 VanDerWaalsContact ND2-CG2 3.32Å; N610-T615 WeakPolarHBondContact ND2-CG2 3.4Å; N610-T615 PolarHBondContact O-OG1 3.45Å; C612-T615 HydrophobicContact CB-CG2 4.18Å; C612-T615 WeakPolarHBondContact CB-OG1 3.46Å; C612-T615 PolarHBondContact N-OG1 2.78Å; C612-T615 VanDerWaalsContact N-OG1 3.11Å; C612-T615 PolarHBondContact O-N 3.41Å; C612-T615 PolarHBondContact O-OG1 3.13Å; C612-T615 VanDerWaalsContact O-OG1 3.12Å; Y613-T615 PolarHBondContact O-N 2.95Å; T615-I617 PolarHBondContact O-N 3.11Å; T615-F640 CarbonylContact O-C 3.51Å; T615-F640 VanDerWaalsContact O-CA 3.23Å; T615-F640 WeakPolarHBondContact O-CA 3.29Å; T615-V641 HydrophobicContact CG2-CG2 3.89Å; T615-V641 PolarHBondContact O-N 2.88Å; T615-C646 WeakPolarHBondContact CG2-O 3.21Å |
| 616 | L | 97.5 | Very high | 95 | Very high | 10 Ų | 10 | 32.1 Ų | 32.1 | 5% | 0.052 | 20% | 0.204 | C | C | . | . | B | Isolated β-bridge | trans | -62 | 127.9 | 177.4 | 178.1 | 64.3 | 0 | 0 | 0 | 111.6 | C185 F186 C612 F640 E709 | C185-L616 CarbonylContact C-O 3.54Å; C185-L616 WeakPolarHBondContact CA-O 3.16Å; F186-L616 PolarHBondContact N-O 3.38Å; C612-L616 PolarHBondContact O-N 2.75Å; C612-L616 VanDerWaalsContact O-N 3.14Å; L616-F640 HydrophobicContact CB-CD1 4.11Å; L616-F640 HydrophobicContact CB-CE1 3.84Å; L616-F640 HydrophobicContact CD1-CD1 4.33Å; L616-F640 HydrophobicContact CD1-CE1 3.74Å; L616-F640 HydrophobicContact CD1-CE2 4.19Å; L616-F640 HydrophobicContact CD1-CZ 3.66Å; L616-F640 HydrophobicContact CG-CE1 4.38Å; L616-E709 HydrophobicContact CD1-CB 3.88Å; L616-E709 HydrophobicContact CD1-CG 4.24Å; L616-E709 HydrophobicContact CD2-CB 4.22Å; L616-E709 HydrophobicContact CD2-CG 4.26Å |
| 617 | I | 96.8 | Very high | 94.8 | Very high | 11 Ų | 11 | 38.7 Ų | 38.7 | 6% | 0.056 | 23% | 0.232 | C | C | . | . | trans | -98.9 | 106.6 | 175.3 | -57.1 | 167.1 | 0 | 0 | 0 | 108.1 | F186 T615 V622 R623 L626 Y631 Y639 V641 | F186-I617 HydrophobicContact CB-CG1 4.47Å; T615-I617 PolarHBondContact O-N 3.11Å; I617-V622 HydrophobicContact CG2-CB 4.22Å; I617-V622 HydrophobicContact CG2-CG1 4Å; I617-R623 HydrophobicContact CG2-CB 3.93Å; I617-L626 HydrophobicContact CD1-CD1 3.78Å; I617-Y631 HydrophobicContact CD1-CG 4.14Å; I617-Y639 PolarHBondContact N-O 3.39Å; I617-V641 HydrophobicContact CD1-CG1 3.76Å; I617-V641 HydrophobicContact CG1-CG1 3.92Å | ||
| 618 | S | 89.7 | Confident | 94.6 | Very high | 86 Ų | 86 | 42.5 Ų | 42.5 | 60% | 0.601 | 26% | 0.259 | S | S | * | . | trans | -95.6 | -18.2 | -177.3 | 57.8 | 0 | 0 | 0 | 0 | 114.7 | C185 | C185-S618 WeakPolarHBondContact CB-OG 3.34Å; C185-S618 WeakPolarHBondContact SG-CB 3.37Å; C185-S618 PolarHBondContact SG-OG 3.31Å | ||
| 619 | S | 89.8 | Confident | 94.5 | Very high | 42 Ų | 42 | 46.1 Ų | 46.1 | 29% | 0.294 | 27% | 0.274 | S | S | . | . | trans | -119.9 | 141.4 | -176.4 | 68.3 | 0 | 0 | 0 | 0 | 112.6 | S621 V622 R623 | S619-S621 VanDerWaalsContact C-N 3.26Å; S619-S621 PolarHBondContact O-N 3.11Å; S619-S621 PolarHBondContact OG-OG 3.03Å; S619-V622 PolarHBondContact O-N 2.93Å; S619-V622 WeakPolarHBondContact OG-CB 3.21Å; S619-V622 WeakPolarHBondContact OG-CG2 3.19Å; S619-V622 PolarHBondContact OG-N 2.94Å; S619-R623 PolarHBondContact O-N 2.81Å | ||
| 620 | E | 91.5 | Very high | 94.4 | Very high | 112 Ų | 112 | 47.2 Ų | 47.2 | 52% | 0.523 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.1 | -33.9 | 177.9 | -171.5 | 57.4 | -156.5 | 0 | 0 | 112.2 | V622 R623 A624 | E620-V622 VanDerWaalsContact C-N 3.35Å; E620-V622 PolarHBondContact O-N 3.22Å; E620-R623 PolarHBondContact O-N 2.98Å; E620-R623 IonicContact OE1-CZ 3.86Å; E620-R623 VanDerWaalsContact OE1-CZ 3.27Å; E620-R623 IonicContact OE1-NE 3.85Å; E620-R623 PolarHBondContact OE1-NE 3.41Å; E620-R623 IonicContact OE1-NH2 3.22Å; E620-R623 PolarHBondContact OE1-NH2 3.11Å; E620-R623 IonicContact OE2-CZ 2.85Å; E620-R623 IonicContact OE2-NE 2.68Å; E620-R623 PolarHBondContact OE2-NE 3.37Å; E620-R623 IonicContact OE2-NH2 2.75Å; E620-R623 PolarHBondContact OE2-NH2 3.39Å; E620-A624 VanDerWaalsContact O-CB 3.31Å; E620-A624 WeakPolarHBondContact O-CB 3.33Å; E620-A624 PolarHBondContact O-N 3.09Å |
| 621 | S | 92.1 | Very high | 94.3 | Very high | 89 Ų | 89 | 48.8 Ų | 48.8 | 62% | 0.622 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -62.6 | -38.9 | 176.5 | 51.5 | 0 | 0 | 0 | 0 | 113 | S619 A625 | S619-S621 VanDerWaalsContact C-N 3.26Å; S619-S621 PolarHBondContact O-N 3.11Å; S619-S621 PolarHBondContact OG-OG 3.03Å; S621-A625 PolarHBondContact O-N 3.33Å |
| 622 | V | 91.8 | Very high | 94.2 | Very high | 20 Ų | 20 | 50.2 Ų | 50.2 | 12% | 0.121 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.5 | -42.2 | 175.5 | 170.6 | 0 | 0 | 0 | 0 | 109.8 | F186 F188 I617 S619 E620 A625 L626 | F186-V622 HydrophobicContact CD1-CG1 3.82Å; F186-V622 HydrophobicContact CE1-CG1 4.46Å; F188-V622 HydrophobicContact CE2-CB 4.34Å; F188-V622 HydrophobicContact CE2-CG1 3.93Å; F188-V622 HydrophobicContact CE2-CG2 4.2Å; F188-V622 HydrophobicContact CZ-CG1 4.26Å; I617-V622 HydrophobicContact CG2-CB 4.22Å; I617-V622 HydrophobicContact CG2-CG1 4Å; S619-V622 PolarHBondContact O-N 2.93Å; S619-V622 WeakPolarHBondContact OG-CB 3.21Å; S619-V622 WeakPolarHBondContact OG-CG2 3.19Å; S619-V622 PolarHBondContact OG-N 2.94Å; E620-V622 VanDerWaalsContact C-N 3.35Å; E620-V622 PolarHBondContact O-N 3.22Å; V622-A625 PolarHBondContact O-N 3.31Å; V622-L626 HydrophobicContact CG1-CD1 4.34Å; V622-L626 WeakPolarHBondContact O-CG 3.39Å; V622-L626 PolarHBondContact O-N 3.14Å |
| 623 | R | 93 | Very high | 94.2 | Very high | 56 Ų | 56 | 56.3 Ų | 56.3 | 21% | 0.211 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.8 | -44 | 177.5 | -167.4 | 168.3 | 69.3 | 105.5 | -8.4 | 112.4 | I617 S619 E620 A625 L626 Y631 Y639 | I617-R623 HydrophobicContact CG2-CB 3.93Å; S619-R623 PolarHBondContact O-N 2.81Å; E620-R623 PolarHBondContact O-N 2.98Å; E620-R623 IonicContact OE1-CZ 3.86Å; E620-R623 VanDerWaalsContact OE1-CZ 3.27Å; E620-R623 IonicContact OE1-NE 3.85Å; E620-R623 PolarHBondContact OE1-NE 3.41Å; E620-R623 IonicContact OE1-NH2 3.22Å; E620-R623 PolarHBondContact OE1-NH2 3.11Å; E620-R623 IonicContact OE2-CZ 2.85Å; E620-R623 IonicContact OE2-NE 2.68Å; E620-R623 PolarHBondContact OE2-NE 3.37Å; E620-R623 IonicContact OE2-NH2 2.75Å; E620-R623 PolarHBondContact OE2-NH2 3.39Å; R623-A625 VanDerWaalsContact C-N 3.26Å; R623-A625 PolarHBondContact O-N 2.95Å; R623-L626 PolarHBondContact O-N 3.2Å; R623-L626 VanDerWaalsContact O-N 3.09Å; R623-Y631 HydrophobicContact CG-CE1 4.01Å; R623-Y631 HydrophobicContact CG-CE2 4.43Å; R623-Y639 PolarHBondContact NH1-OH 3.11Å |
| 624 | A | 93.5 | Very high | 94.2 | Very high | 77 Ų | 77 | 56.5 Ų | 56.5 | 64% | 0.636 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -65.8 | -27.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | E620 L626 | E620-A624 VanDerWaalsContact O-CB 3.31Å; E620-A624 WeakPolarHBondContact O-CB 3.33Å; E620-A624 PolarHBondContact O-N 3.09Å; A624-L626 VanDerWaalsContact C-N 3.29Å |
| 625 | A | 94.2 | Very high | 94.2 | Very high | 68 Ų | 68 | 59.5 Ų | 59.5 | 56% | 0.562 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -6.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | F188 S621 V622 R623 | F188-A625 HydrophobicContact CE2-CB 4.23Å; F188-A625 HydrophobicContact CZ-CB 3.67Å; S621-A625 PolarHBondContact O-N 3.33Å; V622-A625 PolarHBondContact O-N 3.31Å; R623-A625 VanDerWaalsContact C-N 3.26Å; R623-A625 PolarHBondContact O-N 2.95Å |
| 626 | L | 94.2 | Very high | 94.1 | Very high | 14 Ų | 14 | 61.5 Ų | 61.5 | 7% | 0.073 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -104.2 | 146.6 | 177 | -67.4 | 168.6 | 0 | 0 | 0 | 110.9 | F186 F188 I617 V622 R623 A624 Q630 Y631 V641 L645 | F186-L626 HydrophobicContact CD1-CD1 4.39Å; F186-L626 HydrophobicContact CE1-CD1 4.27Å; F186-L626 HydrophobicContact CE1-CD2 4.33Å; F188-L626 HydrophobicContact CE1-CD2 3.68Å; F188-L626 HydrophobicContact CE1-CG 4.17Å; F188-L626 HydrophobicContact CZ-CD2 4.14Å; F188-L626 HydrophobicContact CZ-CG 4.11Å; I617-L626 HydrophobicContact CD1-CD1 3.78Å; V622-L626 HydrophobicContact CG1-CD1 4.34Å; V622-L626 WeakPolarHBondContact O-CG 3.39Å; V622-L626 PolarHBondContact O-N 3.14Å; R623-L626 PolarHBondContact O-N 3.2Å; R623-L626 VanDerWaalsContact O-N 3.09Å; A624-L626 VanDerWaalsContact C-N 3.29Å; L626-Q630 HydrophobicContact CD2-CB 4.49Å; L626-Y631 HydrophobicContact CB-CD1 4Å; L626-Y631 HydrophobicContact CB-CE1 4.35Å; L626-Y631 HydrophobicContact CD1-CD1 4.5Å; L626-V641 HydrophobicContact CD1-CG1 3.79Å; L626-L645 HydrophobicContact CD2-CD2 3.51Å |
| 627 | K | 94.1 | Very high | 94 | Very high | 138 Ų | 138 | 62.5 Ų | 62.5 | 60% | 0.6 | 37% | 0.368 | S | S | * | . | trans | -73 | 147.5 | 170.6 | -57.1 | 177.8 | -178.6 | 177 | 0 | 110 | D629 Q630 Y631 | K627-D629 WeakPolarHBondContact CB-OD1 3.32Å; K627-D629 PolarHBondContact O-N 3.41Å; K627-D629 VanDerWaalsContact O-N 3.07Å; K627-Q630 HydrophobicContact CB-CG 4.12Å; K627-Q630 WeakPolarHBondContact O-CB 3.28Å; K627-Q630 PolarHBondContact O-N 2.83Å; K627-Y631 WeakPolarHBondContact O-CD1 3.34Å | ||
| 628 | P | 92.4 | Very high | 93.9 | Very high | 101 Ų | 101 | 64.2 Ų | 64.2 | 66% | 0.656 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -55.7 | -26.5 | -178.5 | -27.9 | 35.8 | 0 | 0 | 0 | 115.4 | Q630 | P628-Q630 VanDerWaalsContact C-N 3.33Š|
| 629 | D | 94.6 | Very high | 94.3 | Very high | 102 Ų | 102 | 62.2 Ų | 62.2 | 55% | 0.545 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -79 | -11.1 | 177.8 | 61.6 | -56.5 | 0 | 0 | 0 | 113.9 | K627 K642 | K627-D629 WeakPolarHBondContact CB-OD1 3.32Å; K627-D629 PolarHBondContact O-N 3.41Å; K627-D629 VanDerWaalsContact O-N 3.07Å; D629-K642 VanDerWaalsContact O-CD 3.27Å; D629-K642 WeakPolarHBondContact O-CD 3.5Å; D629-K642 WeakPolarHBondContact O-CE 3.49Å; D629-K642 PolarHBondContact O-NZ 2.96Å |
| 630 | Q | 95.9 | Very high | 94.7 | Very high | 57 Ų | 57 | 60.2 Ų | 60.2 | 27% | 0.266 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -90.9 | -8 | -177.6 | -63.3 | -178.1 | -63.9 | 0 | 0 | 114.2 | L626 K627 P628 K642 | L626-Q630 HydrophobicContact CD2-CB 4.49Å; K627-Q630 HydrophobicContact CB-CG 4.12Å; K627-Q630 WeakPolarHBondContact O-CB 3.28Å; K627-Q630 PolarHBondContact O-N 2.83Å; P628-Q630 VanDerWaalsContact C-N 3.33Å; Q630-K642 PolarHBondContact O-N 3.16Å |
| 631 | Y | 96.2 | Very high | 95 | Very high | 38 Ų | 38 | 54.9 Ų | 54.9 | 15% | 0.149 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 163 | 177.5 | 62.8 | -98.6 | 0 | 0 | 0 | 111.4 | I617 R623 L626 K627 Y639 F640 | I617-Y631 HydrophobicContact CD1-CG 4.14Å; R623-Y631 HydrophobicContact CG-CE1 4.01Å; R623-Y631 HydrophobicContact CG-CE2 4.43Å; L626-Y631 HydrophobicContact CB-CD1 4Å; L626-Y631 HydrophobicContact CB-CE1 4.35Å; L626-Y631 HydrophobicContact CD1-CD1 4.5Å; K627-Y631 WeakPolarHBondContact O-CD1 3.34Å; Y631-Y639 AromaticContact CD2-CD1 3.64Å; Y631-Y639 HydrophobicContact CD2-CD1 3.64Å; Y631-Y639 HydrophobicContact CD2-CE1 4.31Å; Y631-Y639 AromaticContact CE2-CD1 3.58Å; Y631-Y639 HydrophobicContact CE2-CD1 3.58Å; Y631-Y639 AromaticContact CE2-CE1 3.79Å; Y631-Y639 HydrophobicContact CE2-CE1 3.79Å; Y631-F640 CarbonylContact C-O 3.48Å; Y631-F640 WeakPolarHBondContact CA-O 3.23Å; Y631-F640 VanDerWaalsContact CB-O 3.3Å; Y631-F640 WeakPolarHBondContact CB-O 3.33Å |
| 632 | V | 95.5 | Very high | 95.2 | Very high | 29 Ų | 29 | 54.4 Ų | 54.4 | 18% | 0.176 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 133.6 | 171.3 | 64 | 0 | 0 | 0 | 0 | 109 | Y639 F640 F717 | V632-Y639 WeakPolarHBondContact O-CA 3.22Å; V632-F640 HydrophobicContact CG1-CB 4.07Å; V632-F640 PolarHBondContact N-O 3.2Å; V632-F640 PolarHBondContact O-N 3.14Å; V632-F717 HydrophobicContact CG2-CZ 4.21Å |
| 633 | K | 96.6 | Very high | 95.4 | Very high | 128 Ų | 128 | 58.7 Ų | 58.7 | 56% | 0.557 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 122 | 164.3 | -173.5 | -177.8 | -176.5 | -178.7 | 0 | 107.9 | H638 Y639 | K633-H638 CarbonylContact C-O 3.45Å; K633-H638 WeakPolarHBondContact CA-O 3.47Å; K633-Y639 HydrophobicContact CB-CD1 3.89Å; K633-Y639 HydrophobicContact CB-CE1 3.61Å; K633-Y639 HydrophobicContact CD-CE1 3.84Å; K633-Y639 WeakPolarHBondContact CD-OH 3.28Å; K633-Y639 WeakPolarHBondContact CE-OH 3.4Å; K633-Y639 HydrophobicContact CG-CD1 4.09Å; K633-Y639 HydrophobicContact CG-CE1 3.55Å |
| 634 | T | 96.8 | Very high | 95.4 | Very high | 4 Ų | 4 | 62.8 Ų | 62.8 | 3% | 0.025 | 34% | 0.344 | C | S | . | . | trans | -79.6 | 160.1 | -179.6 | 73.5 | 0 | 0 | 0 | 0 | 110.6 | L611 S636 G637 H638 F640 S713 F717 | L611-T634 HydrophobicContact CD2-CG2 4.11Å; T634-S636 PolarHBondContact O-N 3.3Å; T634-S636 VanDerWaalsContact O-N 3.15Å; T634-S636 PolarHBondContact OG1-OG 2.92Å; T634-G637 PolarHBondContact O-N 3.44Å; T634-H638 PolarHBondContact N-O 3.01Å; T634-H638 PolarHBondContact OG1-N 3.42Å; T634-H638 VanDerWaalsContact OG1-N 3.16Å; T634-H638 PolarHBondContact OG1-O 3.36Å; T634-F640 HydrophobicContact CG2-CD2 3.53Å; T634-F640 HydrophobicContact CG2-CE2 3.65Å; T634-S713 WeakPolarHBondContact CB-OG 3.41Å; T634-S713 WeakPolarHBondContact CG2-OG 3.23Å; T634-S713 PolarHBondContact OG1-OG 2.79Å; T634-F717 HydrophobicContact CG2-CE2 3.73Å; T634-F717 HydrophobicContact CG2-CZ 4.22Å | ||
| 635 | P | 95.3 | Very high | 95.4 | Very high | 68 Ų | 68 | 62.1 Ų | 62.1 | 44% | 0.442 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -17.4 | 178.7 | -19.3 | 30.9 | 0 | 0 | 0 | 113.6 | G637 A716 F717 M720 | P635-G637 VanDerWaalsContact C-N 3.32Å; P635-A716 HydrophobicContact CB-CB 3.92Å; P635-A716 HydrophobicContact CG-CB 4.38Å; P635-F717 HydrophobicContact CG-CD1 3.77Å; P635-F717 HydrophobicContact CG-CE1 3.9Å; P635-F717 HydrophobicContact CG-CG 4.21Å; P635-F717 HydrophobicContact CG-CZ 4.44Å; P635-M720 HydrophobicContact CG-SD 4.08Å |
| 636 | S | 94.4 | Very high | 95.4 | Very high | 41 Ų | 41 | 59.2 Ų | 59.2 | 29% | 0.287 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 0.3 | 171.2 | 49.7 | 0 | 0 | 0 | 0 | 113.8 | T634 H638 S713 | T634-S636 PolarHBondContact O-N 3.3Å; T634-S636 VanDerWaalsContact O-N 3.15Å; T634-S636 PolarHBondContact OG1-OG 2.92Å; S636-H638 PolarHBondContact OG-CD2 2.98Å; S636-S713 VanDerWaalsContact OG-CA 3.32Å; S636-S713 WeakPolarHBondContact OG-CA 3.35Å; S636-S713 PolarHBondContact OG-N 2.86Å; S636-S713 PolarHBondContact OG-OG 2.98Å; S636-S713 VanDerWaalsContact OG-OG 3.11Å |
| 637 | G | 95.1 | Very high | 95.4 | Very high | 32 Ų | 32 | 63.9 Ų | 63.9 | 33% | 0.33 | 32% | 0.321 | S | S | . | . | S | Bend | trans | 91.1 | 3.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | T634 P635 Y639 | T634-G637 PolarHBondContact O-N 3.44Å; P635-G637 VanDerWaalsContact C-N 3.32Å; G637-Y639 WeakPolarHBondContact O-CE2 3.22Å |
| 638 | H | 96.3 | Very high | 95.5 | Very high | 47 Ų | 47 | 57.3 Ų | 57.3 | 22% | 0.218 | 29% | 0.293 | C | S | . | . | trans | -85.7 | 163.6 | 177.5 | -61.4 | -61.3 | 0 | 0 | 0 | 111.6 | K633 T634 S636 F640 Q712 | K633-H638 CarbonylContact C-O 3.45Å; K633-H638 WeakPolarHBondContact CA-O 3.47Å; T634-H638 PolarHBondContact N-O 3.01Å; T634-H638 PolarHBondContact OG1-N 3.42Å; T634-H638 VanDerWaalsContact OG1-N 3.16Å; T634-H638 PolarHBondContact OG1-O 3.36Å; S636-H638 PolarHBondContact OG-CD2 2.98Å; H638-F640 HydrophobicContact CB-CE2 3.89Å; H638-Q712 PolarHBondContact NE2-OE1 3.03Å | ||
| 639 | Y | 97.5 | Very high | 95.7 | Very high | 44 Ų | 44 | 52.7 Ų | 52.7 | 17% | 0.173 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 133.9 | -176 | -63.7 | -89.7 | 0 | 0 | 0 | 110.9 | I617 R623 Y631 V632 K633 G637 | I617-Y639 PolarHBondContact N-O 3.39Å; R623-Y639 PolarHBondContact NH1-OH 3.11Å; Y631-Y639 AromaticContact CD2-CD1 3.64Å; Y631-Y639 HydrophobicContact CD2-CD1 3.64Å; Y631-Y639 HydrophobicContact CD2-CE1 4.31Å; Y631-Y639 AromaticContact CE2-CD1 3.58Å; Y631-Y639 HydrophobicContact CE2-CD1 3.58Å; Y631-Y639 AromaticContact CE2-CE1 3.79Å; Y631-Y639 HydrophobicContact CE2-CE1 3.79Å; V632-Y639 WeakPolarHBondContact O-CA 3.22Å; K633-Y639 HydrophobicContact CB-CD1 3.89Å; K633-Y639 HydrophobicContact CB-CE1 3.61Å; K633-Y639 HydrophobicContact CD-CE1 3.84Å; K633-Y639 WeakPolarHBondContact CD-OH 3.28Å; K633-Y639 WeakPolarHBondContact CE-OH 3.4Å; K633-Y639 HydrophobicContact CG-CD1 4.09Å; K633-Y639 HydrophobicContact CG-CE1 3.55Å; G637-Y639 WeakPolarHBondContact O-CE2 3.22Å |
| 640 | F | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 138.5 | 176.4 | -62.8 | -98.9 | 0 | 0 | 0 | 110.1 | L611 T615 L616 Y631 V632 T634 H638 E709 I710 | L611-F640 HydrophobicContact CD2-CD1 4.29Å; L611-F640 HydrophobicContact CD2-CD2 3.61Å; L611-F640 HydrophobicContact CD2-CE1 4.42Å; L611-F640 HydrophobicContact CD2-CE2 3.77Å; L611-F640 HydrophobicContact CD2-CG 3.89Å; L611-F640 HydrophobicContact CD2-CZ 4.18Å; T615-F640 CarbonylContact O-C 3.51Å; T615-F640 VanDerWaalsContact O-CA 3.23Å; T615-F640 WeakPolarHBondContact O-CA 3.29Å; L616-F640 HydrophobicContact CB-CD1 4.11Å; L616-F640 HydrophobicContact CB-CE1 3.84Å; L616-F640 HydrophobicContact CD1-CD1 4.33Å; L616-F640 HydrophobicContact CD1-CE1 3.74Å; L616-F640 HydrophobicContact CD1-CE2 4.19Å; L616-F640 HydrophobicContact CD1-CZ 3.66Å; L616-F640 HydrophobicContact CG-CE1 4.38Å; Y631-F640 CarbonylContact C-O 3.48Å; Y631-F640 WeakPolarHBondContact CA-O 3.23Å; Y631-F640 VanDerWaalsContact CB-O 3.3Å; Y631-F640 WeakPolarHBondContact CB-O 3.33Å; V632-F640 HydrophobicContact CG1-CB 4.07Å; V632-F640 PolarHBondContact N-O 3.2Å; V632-F640 PolarHBondContact O-N 3.14Å; T634-F640 HydrophobicContact CG2-CD2 3.53Å; T634-F640 HydrophobicContact CG2-CE2 3.65Å; H638-F640 HydrophobicContact CB-CE2 3.89Å; F640-E709 HydrophobicContact CZ-CB 4.45Å; F640-I710 HydrophobicContact CE1-CG1 3.92Å; F640-I710 HydrophobicContact CZ-CG1 4.11Å |
| 641 | V | 97.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 145.6 | 172.2 | -62.2 | 0 | 0 | 0 | 0 | 110.5 | F186 N610 T615 I617 L626 L645 C646 | F186-V641 HydrophobicContact CB-CG1 4.15Å; F186-V641 HydrophobicContact CB-CG2 4.41Å; F186-V641 HydrophobicContact CD1-CG1 3.54Å; F186-V641 HydrophobicContact CD2-CB 4.44Å; F186-V641 HydrophobicContact CD2-CG1 3.97Å; F186-V641 HydrophobicContact CD2-CG2 3.68Å; F186-V641 HydrophobicContact CE1-CG1 3.86Å; F186-V641 HydrophobicContact CE2-CG1 4.25Å; F186-V641 HydrophobicContact CE2-CG2 4.11Å; F186-V641 HydrophobicContact CG-CB 4.47Å; F186-V641 HydrophobicContact CG-CG1 3.59Å; F186-V641 HydrophobicContact CG-CG2 4.02Å; F186-V641 HydrophobicContact CZ-CG1 4.2Å; N610-V641 PolarHBondContact ND2-O 3.34Å; T615-V641 HydrophobicContact CG2-CG2 3.89Å; T615-V641 PolarHBondContact O-N 2.88Å; I617-V641 HydrophobicContact CD1-CG1 3.76Å; I617-V641 HydrophobicContact CG1-CG1 3.92Å; L626-V641 HydrophobicContact CD1-CG1 3.79Å; V641-L645 HydrophobicContact CB-CD2 4.23Å; V641-L645 HydrophobicContact CG1-CD2 4.05Å; V641-C646 HydrophobicContact CG2-CB 4Å |
| 642 | K | 96.4 | Very high | 95.9 | Very high | 79 Ų | 79 | 45 Ų | 45 | 34% | 0.343 | 23% | 0.225 | S | C | . | . | trans | -76 | 159.3 | 176.3 | -58.1 | -176.3 | -179.8 | 168.5 | 0 | 111.5 | D629 Q630 E644 L645 C646 | D629-K642 VanDerWaalsContact O-CD 3.27Å; D629-K642 WeakPolarHBondContact O-CD 3.5Å; D629-K642 WeakPolarHBondContact O-CE 3.49Å; D629-K642 PolarHBondContact O-NZ 2.96Å; Q630-K642 PolarHBondContact O-N 3.16Å; K642-E644 WeakPolarHBondContact CB-OE2 3.46Å; K642-E644 PolarHBondContact O-N 2.75Å; K642-L645 PolarHBondContact O-N 3.3Å; K642-L645 VanDerWaalsContact O-N 3.12Å; K642-C646 PolarHBondContact O-N 2.73Å | ||
| 643 | Q | 95 | Very high | 95.9 | Very high | 109 Ų | 109 | 44.2 Ų | 44.2 | 51% | 0.509 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -27.7 | -173.7 | 63.9 | -178.2 | -16.2 | 0 | 0 | 113.5 | N610 L645 C646 R647 | N610-Q643 HydrophobicContact CB-CB 4.49Å; N610-Q643 PolarHBondContact ND2-N 3.27Å; Q643-L645 PolarHBondContact O-N 2.76Å; Q643-C646 CarbonylContact O-C 3.53Å; Q643-C646 PolarHBondContact O-N 3.18Å; Q643-R647 PolarHBondContact O-N 3Å |
| 644 | E | 93.9 | Very high | 96 | Very high | 143 Ų | 143 | 38.1 Ų | 38.1 | 67% | 0.668 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -27.7 | -179.6 | -57.5 | 74.1 | -158.3 | 0 | 0 | 111.7 | K642 | K642-E644 WeakPolarHBondContact CB-OE2 3.46Å; K642-E644 PolarHBondContact O-N 2.75Å |
| 645 | L | 93.2 | Very high | 95.9 | Very high | 62 Ų | 62 | 39.4 Ų | 39.4 | 33% | 0.325 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -44 | 174.9 | -175.6 | 64.3 | 0 | 0 | 0 | 111.8 | F186 L626 V641 K642 Q643 | F186-L645 HydrophobicContact CE1-CD2 4.1Å; F186-L645 HydrophobicContact CE2-CD2 4.37Å; F186-L645 HydrophobicContact CE2-CG 4.46Å; F186-L645 HydrophobicContact CZ-CD2 3.67Å; F186-L645 HydrophobicContact CZ-CG 4.05Å; L626-L645 HydrophobicContact CD2-CD2 3.51Å; V641-L645 HydrophobicContact CB-CD2 4.23Å; V641-L645 HydrophobicContact CG1-CD2 4.05Å; K642-L645 PolarHBondContact O-N 3.3Å; K642-L645 VanDerWaalsContact O-N 3.12Å; Q643-L645 PolarHBondContact O-N 2.76Å |
| 646 | C | 93.6 | Very high | 95.9 | Very high | 8 Ų | 8 | 39.5 Ų | 39.5 | 5% | 0.054 | 20% | 0.196 | C | C | . | . | trans | -157.1 | 114.8 | 178.2 | -176 | 0 | 0 | 0 | 0 | 110.2 | F186 N610 T615 V641 K642 Q643 | F186-C646 HydrophobicContact CD2-CB 4.17Å; F186-C646 HydrophobicContact CE2-CB 3.79Å; N610-C646 PolarHBondContact ND2-O 3.49Å; T615-C646 WeakPolarHBondContact CG2-O 3.21Å; V641-C646 HydrophobicContact CG2-CB 4Å; K642-C646 PolarHBondContact O-N 2.73Å; Q643-C646 CarbonylContact O-C 3.53Å; Q643-C646 PolarHBondContact O-N 3.18Å | ||
| 647 | R | 95 | Very high | 96 | Very high | 112 Ų | 112 | 38 Ų | 38 | 42% | 0.423 | 19% | 0.185 | S | C | . | . | trans | -68.1 | 131.8 | 172.1 | -167.7 | 174.3 | -174.6 | -174.4 | -2.8 | 110.3 | Q643 D655 | Q643-R647 PolarHBondContact O-N 3Å; R647-D655 IonicContact CZ-OD2 3.62Å; R647-D655 IonicContact NH2-OD2 2.78Å; R647-D655 PolarHBondContact NH2-OD2 2.78Å | ||
| 648 | G | 96.6 | Very high | 96 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -77.1 | 143.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | N610 P651 E652 | N610-G648 PolarHBondContact OD1-N 3.33Å; G648-P651 WeakPolarHBondContact O-CB 3.47Å; G648-P651 WeakPolarHBondContact O-CD 3.26Å; G648-E652 PolarHBondContact O-N 3.04Å; G648-E652 VanDerWaalsContact O-N 3.09Å | ||
| 649 | L | 96.3 | Very high | 95.9 | Very high | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.5 | -34.6 | 179.8 | -56 | -175.5 | 0 | 0 | 0 | 113.3 | I183 K557 T558 H561 I563 C612 T614 E652 I653 | I183-L649 HydrophobicContact CD1-CD1 4.33Å; I183-L649 HydrophobicContact CG1-CD1 4.34Å; K557-L649 HydrophobicContact CG-CB 4.31Å; K557-L649 HydrophobicContact CG-CD2 4.16Å; T558-L649 HydrophobicContact CG2-CD1 3.51Å; H561-L649 WeakPolarHBondContact CD2-CD2 3.13Å; I563-L649 HydrophobicContact CD1-CD1 3.82Å; I563-L649 HydrophobicContact CD1-CD2 4.36Å; I563-L649 HydrophobicContact CD1-CG 4.38Å; I563-L649 HydrophobicContact CG2-CD1 4.42Å; C612-L649 PolarHBondContact SG-N 2.72Å; T614-L649 HydrophobicContact CG2-CD1 3.92Å; T614-L649 HydrophobicContact CG2-CG 3.93Å; L649-E652 PolarHBondContact O-N 3.08Å; L649-I653 VanDerWaalsContact O-CG1 3.3Å; L649-I653 WeakPolarHBondContact O-CG1 3.37Å; L649-I653 PolarHBondContact O-N 2.76Å |
| 650 | L | 96.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.7 | -50.1 | 175.3 | -69 | -174.2 | 0 | 0 | 0 | 111.3 | L554 M606 C612 Y613 E652 I653 L654 V694 T698 I710 | L554-L650 HydrophobicContact CD2-CD2 3.78Å; L554-L650 HydrophobicContact CG-CD2 4.44Å; M606-L650 HydrophobicContact CE-CB 4.04Å; M606-L650 HydrophobicContact CE-CD1 3.6Å; M606-L650 HydrophobicContact CE-CG 4.45Å; C612-L650 HydrophobicContact CB-CB 4.27Å; C612-L650 PolarHBondContact SG-N 2.78Å; Y613-L650 HydrophobicContact CD2-CD1 3.86Å; Y613-L650 HydrophobicContact CD2-CD2 4.44Å; Y613-L650 HydrophobicContact CD2-CG 4.02Å; Y613-L650 HydrophobicContact CE2-CD1 3.62Å; Y613-L650 HydrophobicContact CE2-CD2 4.09Å; Y613-L650 HydrophobicContact CE2-CG 4Å; L650-E652 PolarHBondContact O-N 2.82Å; L650-I653 PolarHBondContact O-N 3.14Å; L650-L654 WeakPolarHBondContact O-CB 3.4Å; L650-L654 VanDerWaalsContact O-CG 3.28Å; L650-L654 WeakPolarHBondContact O-CG 3.46Å; L650-L654 PolarHBondContact O-N 3.12Å; L650-V694 HydrophobicContact CD2-CG1 3.88Å; L650-T698 HydrophobicContact CD1-CG2 3.69Å; L650-I710 HydrophobicContact CD1-CD1 4Å |
| 651 | P | 97.2 | Very high | 95.7 | Very high | 5 Ų | 5 | 43.2 Ų | 43.2 | 3% | 0.032 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -49.1 | -42.1 | 167.7 | -31.7 | 33.8 | 0 | 0 | 0 | 114 | M607 G648 L654 D655 | M607-P651 HydrophobicContact CG-CB 4.36Å; G648-P651 WeakPolarHBondContact O-CB 3.47Å; G648-P651 WeakPolarHBondContact O-CD 3.26Å; P651-L654 PolarHBondContact O-N 3.05Å; P651-D655 VanDerWaalsContact O-CB 3.3Å; P651-D655 WeakPolarHBondContact O-CB 3.42Å; P651-D655 PolarHBondContact O-N 3.23Å |
| 652 | E | 96.4 | Very high | 95.5 | Very high | 31 Ų | 31 | 49.6 Ų | 49.6 | 15% | 0.145 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68 | -47.1 | 179.6 | -166.5 | 177.2 | 150.1 | 0 | 0 | 112.8 | K557 H561 G648 L649 L650 L654 D655 D656 | K557-E652 HydrophobicContact CD-CG 4.35Å; K557-E652 WeakPolarHBondContact CD-OE1 3.04Å; K557-E652 WeakPolarHBondContact CE-OE1 3.37Å; K557-E652 IonicContact NZ-OE1 2.87Å; K557-E652 PolarHBondContact NZ-OE1 2.81Å; H561-E652 IonicContact NE2-OE2 3.41Å; G648-E652 PolarHBondContact O-N 3.04Å; G648-E652 VanDerWaalsContact O-N 3.09Å; L649-E652 PolarHBondContact O-N 3.08Å; L650-E652 PolarHBondContact O-N 2.82Å; E652-L654 VanDerWaalsContact C-N 3.28Å; E652-L654 PolarHBondContact O-N 2.69Å; E652-D655 PolarHBondContact O-N 3.26Å; E652-D656 PolarHBondContact O-N 2.69Å |
| 653 | I | 96.5 | Very high | 95.5 | Very high | 11 Ų | 11 | 50.4 Ų | 50.4 | 6% | 0.056 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.3 | -42.2 | 174.5 | -69.8 | 165.7 | 0 | 0 | 0 | 110.9 | Q553 L554 K557 L649 L650 D656 L657 | Q553-I653 HydrophobicContact CB-CG2 4.48Å; L554-I653 HydrophobicContact CD2-CD1 3.88Å; L554-I653 HydrophobicContact CG-CD1 4.28Å; K557-I653 HydrophobicContact CB-CD1 4.01Å; K557-I653 HydrophobicContact CB-CG1 4.04Å; K557-I653 HydrophobicContact CG-CD1 4.37Å; K557-I653 HydrophobicContact CG-CG1 4.09Å; L649-I653 VanDerWaalsContact O-CG1 3.3Å; L649-I653 WeakPolarHBondContact O-CG1 3.37Å; L649-I653 PolarHBondContact O-N 2.76Å; L650-I653 PolarHBondContact O-N 3.14Å; I653-D656 PolarHBondContact O-N 2.87Å; I653-L657 HydrophobicContact CG2-CD1 3.87Å; I653-L657 HydrophobicContact CG2-CG 4.41Å; I653-L657 WeakPolarHBondContact O-CB 3.4Å; I653-L657 WeakPolarHBondContact O-CG 3.12Å; I653-L657 PolarHBondContact O-N 3.02Å |
| 654 | L | 97.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.1 | -43 | 178 | -73 | 171 | 0 | 0 | 0 | 112 | P603 M606 M607 L650 P651 E652 L657 L658 A691 V694 | P603-L654 HydrophobicContact CB-CD1 4.38Å; P603-L654 HydrophobicContact CB-CD2 4Å; P603-L654 HydrophobicContact CG-CD2 4.29Å; M606-L654 HydrophobicContact CB-CD1 3.74Å; M606-L654 HydrophobicContact CE-CD1 4.2Å; M606-L654 HydrophobicContact SD-CD1 4.19Å; M607-L654 HydrophobicContact CG-CB 3.89Å; M607-L654 HydrophobicContact CG-CD1 4.33Å; M607-L654 HydrophobicContact SD-CB 3.89Å; L650-L654 WeakPolarHBondContact O-CB 3.4Å; L650-L654 VanDerWaalsContact O-CG 3.28Å; L650-L654 WeakPolarHBondContact O-CG 3.46Å; L650-L654 PolarHBondContact O-N 3.12Å; P651-L654 PolarHBondContact O-N 3.05Å; E652-L654 VanDerWaalsContact C-N 3.28Å; E652-L654 PolarHBondContact O-N 2.69Å; L654-L657 PolarHBondContact O-N 2.83Å; L654-L658 WeakPolarHBondContact O-CB 2.94Å; L654-L658 VanDerWaalsContact O-CG 3.25Å; L654-L658 WeakPolarHBondContact O-CG 3.34Å; L654-L658 PolarHBondContact O-N 2.74Å; L654-A691 HydrophobicContact CD2-CB 4.35Å; L654-V694 HydrophobicContact CD1-CG1 4.41Å; L654-V694 HydrophobicContact CD2-CB 3.87Å; L654-V694 HydrophobicContact CD2-CG1 4.2Å; L654-V694 HydrophobicContact CD2-CG2 3.8Å; L654-V694 HydrophobicContact CG-CB 4.49Å; L654-V694 HydrophobicContact CG-CG1 4.29Å; L654-V694 HydrophobicContact CG-CG2 4.48Å |
| 655 | D | 96 | Very high | 95.5 | Very high | 31 Ų | 31 | 43.3 Ų | 43.3 | 17% | 0.166 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.6 | -46.8 | 175.8 | -175.3 | 43.8 | 0 | 0 | 0 | 110.9 | M607 R647 P651 E652 L657 L658 K659 | M607-D655 HydrophobicContact SD-CB 4.1Å; R647-D655 IonicContact CZ-OD2 3.62Å; R647-D655 IonicContact NH2-OD2 2.78Å; R647-D655 PolarHBondContact NH2-OD2 2.78Å; P651-D655 VanDerWaalsContact O-CB 3.3Å; P651-D655 WeakPolarHBondContact O-CB 3.42Å; P651-D655 PolarHBondContact O-N 3.23Å; E652-D655 PolarHBondContact O-N 3.26Å; D655-L657 PolarHBondContact O-N 2.86Å; D655-L658 PolarHBondContact O-N 3.24Å; D655-K659 VanDerWaalsContact CG-NZ 3.3Å; D655-K659 VanDerWaalsContact O-CB 3.28Å; D655-K659 WeakPolarHBondContact O-CB 3.3Å; D655-K659 VanDerWaalsContact O-CG 3.3Å; D655-K659 WeakPolarHBondContact O-CG 3.36Å; D655-K659 PolarHBondContact O-N 3.43Å; D655-K659 WeakPolarHBondContact OD1-CE 3.42Å; D655-K659 IonicContact OD1-NZ 2.82Å; D655-K659 PolarHBondContact OD1-NZ 2.81Å; D655-K659 WeakPolarHBondContact OD2-CE 3.41Å; D655-K659 IonicContact OD2-NZ 2.76Å; D655-K659 PolarHBondContact OD2-NZ 3.16Å |
| 656 | D | 95.2 | Very high | 95.6 | Very high | 70 Ų | 70 | 45 Ų | 45 | 37% | 0.374 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -59.2 | -47.5 | 176.6 | -70.6 | -17.8 | 0 | 0 | 0 | 111.6 | K557 E652 I653 A660 | K557-D656 WeakPolarHBondContact CE-OD2 3.24Å; K557-D656 IonicContact NZ-OD2 3.3Å; K557-D656 PolarHBondContact NZ-OD2 3.43Å; E652-D656 PolarHBondContact O-N 2.69Å; I653-D656 PolarHBondContact O-N 2.87Å; D656-A660 VanDerWaalsContact O-CB 3.22Å; D656-A660 WeakPolarHBondContact O-CB 3.36Å; D656-A660 PolarHBondContact O-N 2.62Å |
| 657 | L | 96.1 | Very high | 95.6 | Very high | 11 Ų | 11 | 48.2 Ų | 48.2 | 6% | 0.058 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.4 | -43.2 | 179.2 | -73 | 171.2 | 0 | 0 | 0 | 112.6 | V533 I653 L654 D655 R661 L687 A691 | V533-L657 HydrophobicContact CG1-CD2 3.84Å; I653-L657 HydrophobicContact CG2-CD1 3.87Å; I653-L657 HydrophobicContact CG2-CG 4.41Å; I653-L657 WeakPolarHBondContact O-CB 3.4Å; I653-L657 WeakPolarHBondContact O-CG 3.12Å; I653-L657 PolarHBondContact O-N 3.02Å; L654-L657 PolarHBondContact O-N 2.83Å; D655-L657 PolarHBondContact O-N 2.86Å; L657-R661 WeakPolarHBondContact O-CB 3.42Å; L657-R661 PolarHBondContact O-N 2.89Å; L657-L687 HydrophobicContact CD2-CD2 3.7Å; L657-A691 HydrophobicContact CB-CB 4.33Å; L657-A691 HydrophobicContact CD1-CB 4.33Å |
| 658 | L | 94.9 | Very high | 95.6 | Very high | 39 Ų | 39 | 45.4 Ų | 45.4 | 20% | 0.204 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -73.4 | -38.1 | -178.5 | -68.5 | 173.1 | 0 | 0 | 0 | 112 | P603 M607 L654 D655 R661 K662 A691 | P603-L658 HydrophobicContact CB-CD1 4.3Å; M607-L658 HydrophobicContact CE-CD1 3.35Å; M607-L658 HydrophobicContact SD-CD1 4.1Å; L654-L658 WeakPolarHBondContact O-CB 2.94Å; L654-L658 VanDerWaalsContact O-CG 3.25Å; L654-L658 WeakPolarHBondContact O-CG 3.34Å; L654-L658 PolarHBondContact O-N 2.74Å; D655-L658 PolarHBondContact O-N 3.24Å; L658-R661 PolarHBondContact O-N 3.2Å; L658-K662 PolarHBondContact O-N 2.8Å; L658-A691 HydrophobicContact CD2-CB 4.31Å |
| 659 | K | 95.1 | Very high | 95.5 | Very high | 123 Ų | 123 | 53.7 Ų | 53.7 | 54% | 0.535 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.4 | -47.4 | 172.3 | -77.8 | 171.7 | 172.7 | 165.9 | 0 | 111.6 | D655 R661 K662 K663 | D655-K659 VanDerWaalsContact CG-NZ 3.3Å; D655-K659 VanDerWaalsContact O-CB 3.28Å; D655-K659 WeakPolarHBondContact O-CB 3.3Å; D655-K659 VanDerWaalsContact O-CG 3.3Å; D655-K659 WeakPolarHBondContact O-CG 3.36Å; D655-K659 PolarHBondContact O-N 3.43Å; D655-K659 WeakPolarHBondContact OD1-CE 3.42Å; D655-K659 IonicContact OD1-NZ 2.82Å; D655-K659 PolarHBondContact OD1-NZ 2.81Å; D655-K659 WeakPolarHBondContact OD2-CE 3.41Å; D655-K659 IonicContact OD2-NZ 2.76Å; D655-K659 PolarHBondContact OD2-NZ 3.16Å; K659-R661 VanDerWaalsContact C-N 3.26Å; K659-R661 PolarHBondContact O-N 3.32Å; K659-K662 WeakPolarHBondContact O-CB 3.48Å; K659-K662 PolarHBondContact O-N 3.05Å; K659-K662 VanDerWaalsContact O-N 3.15Å; K659-K663 PolarHBondContact O-N 3.31Å |
| 660 | A | 94.4 | Very high | 95.5 | Very high | 35 Ų | 35 | 59.1 Ų | 59.1 | 29% | 0.289 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -57.6 | -42.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111 | D656 K662 K663 V664 L687 | D656-A660 VanDerWaalsContact O-CB 3.22Å; D656-A660 WeakPolarHBondContact O-CB 3.36Å; D656-A660 PolarHBondContact O-N 2.62Å; A660-K662 VanDerWaalsContact C-N 3.33Å; A660-K662 PolarHBondContact O-N 3.05Å; A660-K663 PolarHBondContact O-N 3.19Å; A660-V664 WeakPolarHBondContact O-CG2 3.19Å; A660-V664 PolarHBondContact O-N 3.22Å; A660-L687 HydrophobicContact CB-CD1 4.07Å; A660-L687 HydrophobicContact CB-CD2 3.94Å |
| 661 | R | 95.8 | Very high | 95.3 | Very high | 34 Ų | 34 | 61.5 Ų | 61.5 | 13% | 0.128 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.3 | -38.1 | 178.1 | -172.2 | 178.2 | 173.7 | -141.7 | -3.9 | 112.3 | L657 L658 K659 K665 Q684 L687 | L657-R661 WeakPolarHBondContact O-CB 3.42Å; L657-R661 PolarHBondContact O-N 2.89Å; L658-R661 PolarHBondContact O-N 3.2Å; K659-R661 VanDerWaalsContact C-N 3.26Å; K659-R661 PolarHBondContact O-N 3.32Å; R661-K665 WeakPolarHBondContact O-CG 3.34Å; R661-K665 PolarHBondContact O-N 3.29Å; R661-Q684 HydrophobicContact CG-CB 4.38Å; R661-L687 HydrophobicContact CB-CB 3.9Å; R661-L687 HydrophobicContact CB-CD1 4.11Å; R661-L687 HydrophobicContact CG-CB 4.21Å |
| 662 | K | 94.6 | Very high | 95 | Very high | 134 Ų | 134 | 67.1 Ų | 67.1 | 58% | 0.583 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -62.8 | -48.1 | 175.5 | -173.1 | -176 | 174 | -170.2 | 0 | 111 | L658 K659 A660 V664 K665 E666 | L658-K662 PolarHBondContact O-N 2.8Å; K659-K662 WeakPolarHBondContact O-CB 3.48Å; K659-K662 PolarHBondContact O-N 3.05Å; K659-K662 VanDerWaalsContact O-N 3.15Å; A660-K662 VanDerWaalsContact C-N 3.33Å; A660-K662 PolarHBondContact O-N 3.05Å; K662-V664 PolarHBondContact O-N 2.96Å; K662-K665 PolarHBondContact O-N 3.45Å; K662-E666 VanDerWaalsContact CE-OE1 3.23Å; K662-E666 WeakPolarHBondContact CE-OE1 3.47Å; K662-E666 WeakPolarHBondContact O-CG 3.47Å; K662-E666 PolarHBondContact O-N 2.87Å |
| 663 | K | 94.9 | Very high | 94.6 | Very high | 97 Ų | 97 | 68.7 Ų | 68.7 | 42% | 0.422 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -56.4 | -46.7 | 175.7 | -176.6 | -175.8 | 176.8 | -172.9 | 0 | 111.7 | E288 K659 A660 K665 E666 Q667 | E288-K663 IonicContact OE2-NZ 3.85Å; E288-K663 PolarHBondContact OE2-NZ 3.43Å; K659-K663 PolarHBondContact O-N 3.31Å; A660-K663 PolarHBondContact O-N 3.19Å; K663-K665 PolarHBondContact O-N 2.63Å; K663-E666 WeakPolarHBondContact O-CB 3.41Å; K663-E666 PolarHBondContact O-N 2.98Å; K663-Q667 WeakPolarHBondContact O-CG 3.32Å; K663-Q667 PolarHBondContact O-N 2.81Å |
| 664 | V | 93.9 | Very high | 94.2 | Very high | 5 Ų | 5 | 72.6 Ų | 72.6 | 3% | 0.03 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.2 | -42.4 | 177.8 | 175.1 | 0 | 0 | 0 | 0 | 111.5 | A660 K662 E666 Q667 I668 L680 R683 Q684 L687 | A660-V664 WeakPolarHBondContact O-CG2 3.19Å; A660-V664 PolarHBondContact O-N 3.22Å; K662-V664 PolarHBondContact O-N 2.96Å; V664-E666 VanDerWaalsContact C-N 3.25Å; V664-E666 PolarHBondContact O-N 2.96Å; V664-Q667 WeakPolarHBondContact O-CB 3.31Å; V664-Q667 PolarHBondContact O-N 2.94Å; V664-Q667 VanDerWaalsContact O-N 3.16Å; V664-I668 HydrophobicContact CG1-CD1 4.22Å; V664-I668 WeakPolarHBondContact O-CG1 3.32Å; V664-I668 PolarHBondContact O-N 3.4Å; V664-L680 HydrophobicContact CG1-CB 4.25Å; V664-L680 HydrophobicContact CG1-CD2 4.2Å; V664-L680 WeakPolarHBondContact CG1-O 3.43Å; V664-R683 HydrophobicContact CG1-CB 4.27Å; V664-R683 HydrophobicContact CG2-CG 4.09Å; V664-Q684 HydrophobicContact CB-CB 4.48Å; V664-Q684 HydrophobicContact CG1-CB 3.86Å; V664-L687 HydrophobicContact CG2-CD1 4.01Å |
| 665 | K | 95.5 | Very high | 93.7 | Very high | 98 Ų | 98 | 75.4 Ų | 75.4 | 43% | 0.426 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.4 | -30 | 175.4 | -79.7 | -175.2 | 168.2 | -165.5 | 0 | 113.5 | R661 K662 K663 K669 | R661-K665 WeakPolarHBondContact O-CG 3.34Å; R661-K665 PolarHBondContact O-N 3.29Å; K662-K665 PolarHBondContact O-N 3.45Å; K663-K665 PolarHBondContact O-N 2.63Å; K665-K669 WeakPolarHBondContact O-CG 3.17Å |
| 666 | E | 95.9 | Very high | 93.3 | Very high | 96 Ų | 96 | 79.2 Ų | 79.2 | 45% | 0.449 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -72 | -39.9 | 173.6 | -71.5 | 164 | 179.5 | 0 | 0 | 110.8 | K662 K663 V664 K669 | K662-E666 VanDerWaalsContact CE-OE1 3.23Å; K662-E666 WeakPolarHBondContact CE-OE1 3.47Å; K662-E666 WeakPolarHBondContact O-CG 3.47Å; K662-E666 PolarHBondContact O-N 2.87Å; K663-E666 WeakPolarHBondContact O-CB 3.41Å; K663-E666 PolarHBondContact O-N 2.98Å; V664-E666 VanDerWaalsContact C-N 3.25Å; V664-E666 PolarHBondContact O-N 2.96Å; E666-K669 PolarHBondContact O-N 2.84Å |
| 667 | Q | 93.4 | Very high | 93.1 | Very high | 77 Ų | 77 | 78.6 Ų | 78.6 | 36% | 0.36 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.4 | -42 | 173.7 | -68.8 | 171.9 | -29.7 | 0 | 0 | 112.5 | K663 V664 K669 V670 E671 L680 | K663-Q667 WeakPolarHBondContact O-CG 3.32Å; K663-Q667 PolarHBondContact O-N 2.81Å; V664-Q667 WeakPolarHBondContact O-CB 3.31Å; V664-Q667 PolarHBondContact O-N 2.94Å; V664-Q667 VanDerWaalsContact O-N 3.16Å; Q667-K669 PolarHBondContact O-N 3.49Å; Q667-K669 VanDerWaalsContact O-N 3.15Å; Q667-V670 VanDerWaalsContact O-CG2 3.29Å; Q667-V670 WeakPolarHBondContact O-CG2 3.45Å; Q667-V670 PolarHBondContact O-N 2.95Å; Q667-E671 WeakPolarHBondContact O-CB 3.43Å; Q667-E671 PolarHBondContact O-N 2.75Å; Q667-L680 HydrophobicContact CB-CD1 3.99Å; Q667-L680 HydrophobicContact CB-CD2 4.22Å |
| 668 | I | 94.2 | Very high | 92.7 | Very high | 52 Ų | 52 | 81.5 Ų | 81.5 | 27% | 0.267 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -57.1 | -31.6 | 177.2 | -70 | 169.6 | 0 | 0 | 0 | 112.3 | V664 V670 L677 L680 Q684 | V664-I668 HydrophobicContact CG1-CD1 4.22Å; V664-I668 WeakPolarHBondContact O-CG1 3.32Å; V664-I668 PolarHBondContact O-N 3.4Å; I668-V670 VanDerWaalsContact C-N 3.28Å; I668-V670 PolarHBondContact O-N 2.76Å; I668-L677 HydrophobicContact CG2-CD2 4.32Å; I668-L680 HydrophobicContact CD1-CB 4.19Å; I668-L680 HydrophobicContact CG1-CB 3.57Å; I668-L680 HydrophobicContact CG1-CD1 4.28Å; I668-Q684 HydrophobicContact CD1-CB 4.35Å; I668-Q684 HydrophobicContact CD1-CG 3.84Å |
| 669 | K | 95.1 | Very high | 92.4 | Very high | 174 Ų | 174 | 80.2 Ų | 80.2 | 76% | 0.757 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -21.8 | -179.2 | -67.5 | 174.1 | -177 | -179.1 | 0 | 113.5 | K665 E666 Q667 | K665-K669 WeakPolarHBondContact O-CG 3.17Å; E666-K669 PolarHBondContact O-N 2.84Å; Q667-K669 PolarHBondContact O-N 3.49Å; Q667-K669 VanDerWaalsContact O-N 3.15Å |
| 670 | V | 95.4 | Very high | 92.3 | Very high | 118 Ų | 118 | 75.3 Ų | 75.3 | 72% | 0.715 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.9 | -17.8 | -174.2 | -61.1 | 0 | 0 | 0 | 0 | 113.3 | Q667 I668 | Q667-V670 VanDerWaalsContact O-CG2 3.29Å; Q667-V670 WeakPolarHBondContact O-CG2 3.45Å; Q667-V670 PolarHBondContact O-N 2.95Å; I668-V670 VanDerWaalsContact C-N 3.28Å; I668-V670 PolarHBondContact O-N 2.76Å |
| 671 | E | 92.4 | Very high | 92.2 | Very high | 50 Ų | 50 | 76.4 Ų | 76.4 | 23% | 0.234 | 37% | 0.374 | C | S | . | . | trans | -70.7 | 137.3 | 178.3 | -177.8 | 58.8 | -97.9 | 0 | 0 | 111.3 | Q667 D673 R676 L677 L680 | Q667-E671 WeakPolarHBondContact O-CB 3.43Å; Q667-E671 PolarHBondContact O-N 2.75Å; E671-D673 WeakPolarHBondContact OE1-CB 3.3Å; E671-D673 PolarHBondContact OE1-N 2.98Å; E671-R676 HydrophobicContact CG-CB 3.79Å; E671-R676 WeakPolarHBondContact OE2-CD 3.18Å; E671-L677 HydrophobicContact CB-CD2 3.81Å; E671-L677 HydrophobicContact CB-CG 4.25Å; E671-L677 HydrophobicContact CG-CD2 4.02Å; E671-L677 HydrophobicContact CG-CG 3.93Å; E671-L680 HydrophobicContact CB-CD1 3.79Å; E671-L680 HydrophobicContact CG-CD1 3.9Å | ||
| 672 | T | 92.6 | Very high | 91.9 | Very high | 123 Ų | 123 | 74.8 Ų | 74.8 | 76% | 0.755 | 37% | 0.368 | S | S | * | . | trans | -115.8 | -23.4 | -176.8 | 54.2 | 0 | 0 | 0 | 0 | 112.7 | P674 | T672-P674 WeakPolarHBondContact O-CD 3.49Š| ||
| 673 | D | 88.3 | Confident | 91.9 | Very high | 65 Ų | 65 | 70 Ų | 70 | 35% | 0.348 | 35% | 0.346 | S | S | . | . | trans | -69.6 | 121.8 | 178.8 | 177.5 | 119.2 | 0 | 0 | 0 | 110.3 | E671 F675 R676 L677 | E671-D673 WeakPolarHBondContact OE1-CB 3.3Å; E671-D673 PolarHBondContact OE1-N 2.98Å; D673-F675 VanDerWaalsContact C-N 3.31Å; D673-F675 PolarHBondContact O-N 3.11Å; D673-F675 WeakPolarHBondContact OD2-CA 3.35Å; D673-F675 WeakPolarHBondContact OD2-CB 3.49Å; D673-F675 PolarHBondContact OD2-N 2.77Å; D673-R676 HydrophobicContact CB-CB 3.97Å; D673-R676 HydrophobicContact CB-CG 4.08Å; D673-R676 PolarHBondContact O-N 2.94Å; D673-R676 PolarHBondContact OD2-N 3.26Å; D673-L677 WeakPolarHBondContact O-CB 3.28Å; D673-L677 WeakPolarHBondContact O-CG 3.39Å; D673-L677 PolarHBondContact O-N 3.31Å | ||
| 674 | P | 88.2 | Confident | 91.9 | Very high | 93 Ų | 93 | 66.8 Ų | 66.8 | 60% | 0.604 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -60.7 | -35.2 | -177.1 | -25.7 | 35.1 | 0 | 0 | 0 | 114.3 | T672 K678 | T672-P674 WeakPolarHBondContact O-CD 3.49Å; P674-K678 WeakPolarHBondContact O-CG 3.44Å; P674-K678 PolarHBondContact O-N 3.35Å |
| 675 | F | 86.6 | Confident | 91.8 | Very high | 59 Ų | 59 | 69.2 Ų | 69.2 | 26% | 0.259 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -73.2 | -44.7 | 178.9 | -178.3 | -106.9 | 0 | 0 | 0 | 110.7 | I294 I525 D673 L677 K678 V679 | I294-F675 HydrophobicContact CB-CZ 4.24Å; I294-F675 HydrophobicContact CD1-CZ 4.47Å; I525-F675 HydrophobicContact CD1-CE2 4.07Å; D673-F675 VanDerWaalsContact C-N 3.31Å; D673-F675 PolarHBondContact O-N 3.11Å; D673-F675 WeakPolarHBondContact OD2-CA 3.35Å; D673-F675 WeakPolarHBondContact OD2-CB 3.49Å; D673-F675 PolarHBondContact OD2-N 2.77Å; F675-L677 VanDerWaalsContact C-N 3.3Å; F675-L677 PolarHBondContact O-N 3.03Å; F675-K678 WeakPolarHBondContact O-CB 3.24Å; F675-K678 PolarHBondContact O-N 2.75Å; F675-K678 VanDerWaalsContact O-N 3.12Å; F675-V679 HydrophobicContact CD1-CG2 4.44Å; F675-V679 HydrophobicContact CE1-CG2 4.12Å; F675-V679 HydrophobicContact CZ-CG2 4.31Å; F675-V679 WeakPolarHBondContact O-CG2 3.31Å; F675-V679 PolarHBondContact O-N 2.89Å |
| 676 | R | 87.3 | Confident | 91.7 | Very high | 111 Ų | 111 | 64.7 Ų | 64.7 | 42% | 0.419 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.1 | -37.1 | 174 | -69.9 | -171.3 | 165 | 159.2 | 1.1 | 112.2 | D293 E671 D673 K678 V679 L680 | D293-R676 IonicContact OD1-NE 2.85Å; D293-R676 IonicContact OD1-NH2 3.87Å; D293-R676 PolarHBondContact OD1-NH2 3.04Å; E671-R676 HydrophobicContact CG-CB 3.79Å; E671-R676 WeakPolarHBondContact OE2-CD 3.18Å; D673-R676 HydrophobicContact CB-CB 3.97Å; D673-R676 HydrophobicContact CB-CG 4.08Å; D673-R676 PolarHBondContact O-N 2.94Å; D673-R676 PolarHBondContact OD2-N 3.26Å; R676-K678 PolarHBondContact O-N 2.64Å; R676-V679 PolarHBondContact O-N 3.47Å; R676-L680 WeakPolarHBondContact O-CB 3.27Å; R676-L680 VanDerWaalsContact O-CG 3.32Å; R676-L680 WeakPolarHBondContact O-CG 3.28Å; R676-L680 PolarHBondContact O-N 3.18Å |
| 677 | L | 90.5 | Very high | 91.7 | Very high | 57 Ų | 57 | 60.4 Ų | 60.4 | 30% | 0.298 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.2 | -44.1 | 172.2 | -79 | 172.1 | 0 | 0 | 0 | 112 | I668 E671 D673 F675 V679 L680 D681 | I668-L677 HydrophobicContact CG2-CD2 4.32Å; E671-L677 HydrophobicContact CB-CD2 3.81Å; E671-L677 HydrophobicContact CB-CG 4.25Å; E671-L677 HydrophobicContact CG-CD2 4.02Å; E671-L677 HydrophobicContact CG-CG 3.93Å; D673-L677 WeakPolarHBondContact O-CB 3.28Å; D673-L677 WeakPolarHBondContact O-CG 3.39Å; D673-L677 PolarHBondContact O-N 3.31Å; F675-L677 VanDerWaalsContact C-N 3.3Å; F675-L677 PolarHBondContact O-N 3.03Å; L677-V679 VanDerWaalsContact C-N 3.34Å; L677-V679 PolarHBondContact O-N 2.85Å; L677-L680 PolarHBondContact O-N 3.31Å; L677-D681 WeakPolarHBondContact O-CB 3.42Å; L677-D681 PolarHBondContact O-N 2.78Å |
| 678 | K | 88.2 | Confident | 91.7 | Very high | 71 Ų | 71 | 61.1 Ų | 61.1 | 31% | 0.309 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.7 | -43.6 | 174.1 | -69.1 | 176.8 | -179.1 | -177.3 | 0 | 111.4 | E519 M522 I525 P674 F675 R676 D681 G682 | E519-K678 IonicContact OE1-NZ 3.08Å; E519-K678 PolarHBondContact OE1-NZ 3.36Å; M522-K678 HydrophobicContact SD-CB 4.17Å; M522-K678 HydrophobicContact SD-CG 3.94Å; I525-K678 HydrophobicContact CD1-CB 3.88Å; I525-K678 HydrophobicContact CD1-CD 4.39Å; P674-K678 WeakPolarHBondContact O-CG 3.44Å; P674-K678 PolarHBondContact O-N 3.35Å; F675-K678 WeakPolarHBondContact O-CB 3.24Å; F675-K678 PolarHBondContact O-N 2.75Å; F675-K678 VanDerWaalsContact O-N 3.12Å; R676-K678 PolarHBondContact O-N 2.64Å; K678-D681 PolarHBondContact O-N 3.36Å; K678-G682 PolarHBondContact O-N 3.42Å |
| 679 | V | 88.9 | Confident | 91.6 | Very high | 12 Ų | 12 | 61.6 Ų | 61.6 | 7% | 0.073 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.1 | -47.3 | 177.6 | 175.7 | 0 | 0 | 0 | 0 | 111.6 | I294 I525 E529 F675 R676 L677 D681 G682 R683 | I294-V679 HydrophobicContact CD1-CG2 3.74Å; I294-V679 HydrophobicContact CG1-CG2 4.37Å; I525-V679 HydrophobicContact CG2-CG2 4.25Å; E529-V679 HydrophobicContact CG-CG1 4.45Å; F675-V679 HydrophobicContact CD1-CG2 4.44Å; F675-V679 HydrophobicContact CE1-CG2 4.12Å; F675-V679 HydrophobicContact CZ-CG2 4.31Å; F675-V679 WeakPolarHBondContact O-CG2 3.31Å; F675-V679 PolarHBondContact O-N 2.89Å; R676-V679 PolarHBondContact O-N 3.47Å; L677-V679 VanDerWaalsContact C-N 3.34Å; L677-V679 PolarHBondContact O-N 2.85Å; V679-D681 PolarHBondContact O-N 3.36Å; V679-G682 PolarHBondContact O-N 3.34Å; V679-R683 WeakPolarHBondContact O-CB 3.19Å; V679-R683 PolarHBondContact O-N 3.06Å |
| 680 | L | 92.4 | Very high | 91.5 | Very high | 20 Ų | 20 | 53.3 Ų | 53.3 | 11% | 0.105 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.7 | -38.8 | 178.9 | -68.6 | 173 | 0 | 0 | 0 | 112 | V664 Q667 I668 E671 R676 L677 R683 Q684 | V664-L680 HydrophobicContact CG1-CB 4.25Å; V664-L680 HydrophobicContact CG1-CD2 4.2Å; V664-L680 WeakPolarHBondContact CG1-O 3.43Å; Q667-L680 HydrophobicContact CB-CD1 3.99Å; Q667-L680 HydrophobicContact CB-CD2 4.22Å; I668-L680 HydrophobicContact CD1-CB 4.19Å; I668-L680 HydrophobicContact CG1-CB 3.57Å; I668-L680 HydrophobicContact CG1-CD1 4.28Å; E671-L680 HydrophobicContact CB-CD1 3.79Å; E671-L680 HydrophobicContact CG-CD1 3.9Å; R676-L680 WeakPolarHBondContact O-CB 3.27Å; R676-L680 VanDerWaalsContact O-CG 3.32Å; R676-L680 WeakPolarHBondContact O-CG 3.28Å; R676-L680 PolarHBondContact O-N 3.18Å; L677-L680 PolarHBondContact O-N 3.31Å; L680-R683 PolarHBondContact O-N 3.47Å; L680-Q684 PolarHBondContact O-N 2.7Å |
| 681 | D | 92.1 | Very high | 91.5 | Very high | 59 Ų | 59 | 47.8 Ų | 47.8 | 32% | 0.316 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.8 | -43.7 | 175.5 | -171.7 | 49.6 | 0 | 0 | 0 | 111.9 | L677 K678 V679 R683 Q684 L685 | L677-D681 WeakPolarHBondContact O-CB 3.42Å; L677-D681 PolarHBondContact O-N 2.78Å; K678-D681 PolarHBondContact O-N 3.36Å; V679-D681 PolarHBondContact O-N 3.36Å; D681-R683 PolarHBondContact O-N 3.04Å; D681-Q684 WeakPolarHBondContact O-CG 3.45Å; D681-Q684 PolarHBondContact O-N 3.38Å; D681-Q684 PolarHBondContact O-NE2 3.32Å; D681-Q684 PolarHBondContact OD1-NE2 3Å; D681-L685 WeakPolarHBondContact O-CB 3.41Å; D681-L685 PolarHBondContact O-N 3.38Å |
| 682 | G | 89.9 | Confident | 91.4 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58 | -39 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | N526 K678 V679 L685 A686 | N526-G682 WeakPolarHBondContact OD1-CA 3.5Å; K678-G682 PolarHBondContact O-N 3.42Å; V679-G682 PolarHBondContact O-N 3.34Å; G682-L685 PolarHBondContact O-N 3.23Å; G682-A686 WeakPolarHBondContact O-CB 3.13Å; G682-A686 PolarHBondContact O-N 3.49Å |
| 683 | R | 93.3 | Very high | 91.3 | Very high | 34 Ų | 34 | 44.2 Ų | 44.2 | 13% | 0.128 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.5 | -45.6 | 176.9 | -166.4 | 176.6 | -176.5 | 112.8 | -14.5 | 113.2 | P287 E529 V533 V664 V679 L680 D681 L685 A686 L687 | P287-R683 PolarHBondContact O-NH1 3.11Å; P287-R683 PolarHBondContact O-NH2 2.79Å; E529-R683 HydrophobicContact CB-CB 4.25Å; E529-R683 HydrophobicContact CG-CB 3.96Å; E529-R683 WeakPolarHBondContact OE2-CB 3.43Å; E529-R683 WeakPolarHBondContact OE2-CD 3.38Å; E529-R683 VanDerWaalsContact OE2-CG 3.3Å; E529-R683 WeakPolarHBondContact OE2-CG 3.1Å; E529-R683 IonicContact OE2-NH1 3.18Å; E529-R683 PolarHBondContact OE2-NH1 3.08Å; E529-R683 VanDerWaalsContact OE2-NH1 3.16Å; V533-R683 HydrophobicContact CG2-CG 4.47Å; V664-R683 HydrophobicContact CG1-CB 4.27Å; V664-R683 HydrophobicContact CG2-CG 4.09Å; V679-R683 WeakPolarHBondContact O-CB 3.19Å; V679-R683 PolarHBondContact O-N 3.06Å; L680-R683 PolarHBondContact O-N 3.47Å; D681-R683 PolarHBondContact O-N 3.04Å; R683-L685 VanDerWaalsContact C-N 3.25Å; R683-L685 PolarHBondContact O-N 2.66Å; R683-A686 PolarHBondContact O-N 3.28Å; R683-L687 HydrophobicContact CG-CD1 4.07Å; R683-L687 WeakPolarHBondContact O-CD1 3.47Å; R683-L687 VanDerWaalsContact O-CG 3.29Å; R683-L687 WeakPolarHBondContact O-CG 3.35Å; R683-L687 PolarHBondContact O-N 3.37Å |
| 684 | Q | 95.3 | Very high | 91.6 | Very high | 28 Ų | 28 | 41.1 Ų | 41.1 | 13% | 0.131 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65 | -34.1 | 178.3 | 74.1 | 73.6 | 33.6 | 0 | 0 | 111.7 | R661 V664 I668 L680 D681 K688 | R661-Q684 HydrophobicContact CG-CB 4.38Å; V664-Q684 HydrophobicContact CB-CB 4.48Å; V664-Q684 HydrophobicContact CG1-CB 3.86Å; I668-Q684 HydrophobicContact CD1-CB 4.35Å; I668-Q684 HydrophobicContact CD1-CG 3.84Å; L680-Q684 PolarHBondContact O-N 2.7Å; D681-Q684 WeakPolarHBondContact O-CG 3.45Å; D681-Q684 PolarHBondContact O-N 3.38Å; D681-Q684 PolarHBondContact O-NE2 3.32Å; D681-Q684 PolarHBondContact OD1-NE2 3Å; Q684-K688 WeakPolarHBondContact O-CB 3.35Å; Q684-K688 PolarHBondContact O-N 2.96Å |
| 685 | L | 93.3 | Very high | 91.8 | Very high | 57 Ų | 57 | 39 Ų | 39 | 30% | 0.298 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -66.2 | -46.7 | 174.5 | -179.9 | 60.3 | 0 | 0 | 0 | 111 | D681 G682 R683 L687 K688 I689 | D681-L685 WeakPolarHBondContact O-CB 3.41Å; D681-L685 PolarHBondContact O-N 3.38Å; G682-L685 PolarHBondContact O-N 3.23Å; R683-L685 VanDerWaalsContact C-N 3.25Å; R683-L685 PolarHBondContact O-N 2.66Å; L685-L687 VanDerWaalsContact C-N 3.34Å; L685-L687 PolarHBondContact O-N 3.31Å; L685-K688 WeakPolarHBondContact O-CB 3.43Å; L685-K688 PolarHBondContact O-N 2.97Å; L685-I689 HydrophobicContact CD1-CD1 3.86Å; L685-I689 HydrophobicContact CD1-CG1 4.2Å; L685-I689 HydrophobicContact CG-CD1 3.85Å; L685-I689 WeakPolarHBondContact O-CG1 3.48Å; L685-I689 PolarHBondContact O-N 3.37Å |
| 686 | A | 93.2 | Very high | 91.9 | Very high | 2 Ų | 2 | 38.1 Ų | 38.1 | 2% | 0.017 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.6 | -43.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | E529 M530 V533 G682 R683 I689 S690 | E529-A686 HydrophobicContact CB-CB 4.25Å; M530-A686 HydrophobicContact CB-CB 4.34Å; M530-A686 HydrophobicContact CE-CB 4.04Å; M530-A686 HydrophobicContact SD-CB 4.49Å; V533-A686 HydrophobicContact CB-CB 4.37Å; V533-A686 HydrophobicContact CG2-CB 4.01Å; G682-A686 WeakPolarHBondContact O-CB 3.13Å; G682-A686 PolarHBondContact O-N 3.49Å; R683-A686 PolarHBondContact O-N 3.28Å; A686-I689 PolarHBondContact O-N 3.09Å; A686-S690 VanDerWaalsContact O-CB 3.3Å; A686-S690 WeakPolarHBondContact O-CB 3.47Å; A686-S690 PolarHBondContact O-N 3.31Å; A686-S690 PolarHBondContact O-OG 3.36Å |
| 687 | L | 95.1 | Very high | 92.1 | Very high | 7 Ų | 7 | 33.2 Ų | 33.2 | 4% | 0.037 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.1 | -42.6 | 176 | -69.8 | 162.6 | 0 | 0 | 0 | 111.8 | V533 L657 A660 R661 V664 R683 L685 S690 A691 | V533-L687 HydrophobicContact CB-CD2 4.46Å; V533-L687 HydrophobicContact CG1-CD2 3.74Å; V533-L687 HydrophobicContact CG1-CG 4.33Å; V533-L687 HydrophobicContact CG2-CD2 3.81Å; V533-L687 HydrophobicContact CG2-CG 3.87Å; L657-L687 HydrophobicContact CD2-CD2 3.7Å; A660-L687 HydrophobicContact CB-CD1 4.07Å; A660-L687 HydrophobicContact CB-CD2 3.94Å; R661-L687 HydrophobicContact CB-CB 3.9Å; R661-L687 HydrophobicContact CB-CD1 4.11Å; R661-L687 HydrophobicContact CG-CB 4.21Å; V664-L687 HydrophobicContact CG2-CD1 4.01Å; R683-L687 HydrophobicContact CG-CD1 4.07Å; R683-L687 WeakPolarHBondContact O-CD1 3.47Å; R683-L687 VanDerWaalsContact O-CG 3.29Å; R683-L687 WeakPolarHBondContact O-CG 3.35Å; R683-L687 PolarHBondContact O-N 3.37Å; L685-L687 VanDerWaalsContact C-N 3.34Å; L685-L687 PolarHBondContact O-N 3.31Å; L687-S690 PolarHBondContact O-N 3.12Å; L687-A691 WeakPolarHBondContact O-CB 3.32Å; L687-A691 PolarHBondContact O-N 2.96Å |
| 688 | K | 94.1 | Very high | 92.2 | Very high | 92 Ų | 92 | 30.5 Ų | 30.5 | 40% | 0.4 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -59.7 | -50.9 | 175.5 | -175.9 | -172.9 | 179.9 | -178.7 | 0 | 111.6 | Q684 L685 S690 A691 N692 | Q684-K688 WeakPolarHBondContact O-CB 3.35Å; Q684-K688 PolarHBondContact O-N 2.96Å; L685-K688 WeakPolarHBondContact O-CB 3.43Å; L685-K688 PolarHBondContact O-N 2.97Å; K688-S690 VanDerWaalsContact C-N 3.33Å; K688-S690 PolarHBondContact O-N 3.15Å; K688-A691 PolarHBondContact O-N 2.86Å; K688-N692 PolarHBondContact O-N 2.79Å; K688-N692 VanDerWaalsContact O-N 3.13Å |
| 689 | I | 91.6 | Very high | 92.2 | Very high | 61 Ų | 61 | 27.9 Ų | 27.9 | 31% | 0.313 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -63.9 | -41.5 | -178.4 | -68.6 | 169.4 | 0 | 0 | 0 | 110.3 | M530 L685 A686 N692 S693 | M530-I689 HydrophobicContact CE-CB 3.92Å; M530-I689 HydrophobicContact CE-CD1 4.03Å; M530-I689 HydrophobicContact CE-CG2 3.81Å; L685-I689 HydrophobicContact CD1-CD1 3.86Å; L685-I689 HydrophobicContact CD1-CG1 4.2Å; L685-I689 HydrophobicContact CG-CD1 3.85Å; L685-I689 WeakPolarHBondContact O-CG1 3.48Å; L685-I689 PolarHBondContact O-N 3.37Å; A686-I689 PolarHBondContact O-N 3.09Å; I689-N692 PolarHBondContact O-N 2.85Å; I689-S693 WeakPolarHBondContact O-CB 3.14Å; I689-S693 PolarHBondContact O-N 3.45Å; I689-S693 PolarHBondContact O-OG 2.65Å |
| 690 | S | 93.6 | Very high | 91.9 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.007 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.7 | -46.9 | 178.9 | -61.4 | 0 | 0 | 0 | 0 | 111.8 | T534 A686 L687 K688 N692 S693 V694 | T534-S690 VanDerWaalsContact CG2-OG 3.3Å; T534-S690 WeakPolarHBondContact CG2-OG 3.29Å; A686-S690 VanDerWaalsContact O-CB 3.3Å; A686-S690 WeakPolarHBondContact O-CB 3.47Å; A686-S690 PolarHBondContact O-N 3.31Å; A686-S690 PolarHBondContact O-OG 3.36Å; L687-S690 PolarHBondContact O-N 3.12Å; K688-S690 VanDerWaalsContact C-N 3.33Å; K688-S690 PolarHBondContact O-N 3.15Å; S690-N692 VanDerWaalsContact C-N 3.34Å; S690-N692 PolarHBondContact O-N 3.28Å; S690-S693 WeakPolarHBondContact O-CB 3.41Å; S690-S693 PolarHBondContact O-N 3.25Å; S690-V694 PolarHBondContact O-N 2.97Å |
| 691 | A | 93.9 | Very high | 91 | Very high | 2 Ų | 2 | 29.9 Ų | 29.9 | 2% | 0.017 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59 | -44.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | L654 L657 L658 L687 K688 S693 V694 | L654-A691 HydrophobicContact CD2-CB 4.35Å; L657-A691 HydrophobicContact CB-CB 4.33Å; L657-A691 HydrophobicContact CD1-CB 4.33Å; L658-A691 HydrophobicContact CD2-CB 4.31Å; L687-A691 WeakPolarHBondContact O-CB 3.32Å; L687-A691 PolarHBondContact O-N 2.96Å; K688-A691 PolarHBondContact O-N 2.86Å; A691-S693 PolarHBondContact O-N 2.83Å; A691-V694 PolarHBondContact O-N 3.14Å |
| 692 | N | 90.6 | Very high | 90.1 | Very high | 77 Ų | 77 | 31.8 Ų | 31.8 | 41% | 0.412 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -66.6 | -26.7 | 177.3 | -71.5 | -10.1 | 0 | 0 | 0 | 113.1 | K688 I689 S690 V694 | K688-N692 PolarHBondContact O-N 2.79Å; K688-N692 VanDerWaalsContact O-N 3.13Å; I689-N692 PolarHBondContact O-N 2.85Å; S690-N692 VanDerWaalsContact C-N 3.34Å; S690-N692 PolarHBondContact O-N 3.28Å; N692-V694 VanDerWaalsContact C-N 3.34Å |
| 693 | S | 91.1 | Very high | 89.4 | Confident | 21 Ų | 21 | 32.1 Ų | 32.1 | 15% | 0.147 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -73.8 | -23.6 | -179.2 | -61.6 | 0 | 0 | 0 | 0 | 113.2 | I689 S690 A691 Y695 G696 F697 | I689-S693 WeakPolarHBondContact O-CB 3.14Å; I689-S693 PolarHBondContact O-N 3.45Å; I689-S693 PolarHBondContact O-OG 2.65Å; S690-S693 WeakPolarHBondContact O-CB 3.41Å; S690-S693 PolarHBondContact O-N 3.25Å; A691-S693 PolarHBondContact O-N 2.83Å; S693-Y695 PolarHBondContact O-N 2.85Å; S693-G696 PolarHBondContact O-N 2.84Å; S693-F697 WeakPolarHBondContact O-CB 3.38Å; S693-F697 PolarHBondContact O-N 3.39Å |
| 694 | V | 93.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.4 | -45.3 | -178.7 | 177.1 | 0 | 0 | 0 | 0 | 111.8 | M606 L650 L654 S690 A691 N692 F697 T698 | M606-V694 HydrophobicContact CE-CG1 4Å; L650-V694 HydrophobicContact CD2-CG1 3.88Å; L654-V694 HydrophobicContact CD1-CG1 4.41Å; L654-V694 HydrophobicContact CD2-CB 3.87Å; L654-V694 HydrophobicContact CD2-CG1 4.2Å; L654-V694 HydrophobicContact CD2-CG2 3.8Å; L654-V694 HydrophobicContact CG-CB 4.49Å; L654-V694 HydrophobicContact CG-CG1 4.29Å; L654-V694 HydrophobicContact CG-CG2 4.48Å; S690-V694 PolarHBondContact O-N 2.97Å; A691-V694 PolarHBondContact O-N 3.14Å; N692-V694 VanDerWaalsContact C-N 3.34Å; V694-F697 WeakPolarHBondContact O-CB 3.25Å; V694-F697 PolarHBondContact O-N 3.18Å; V694-T698 PolarHBondContact O-N 3.44Å |
| 695 | Y | 92.4 | Very high | 88.6 | Confident | 47 Ų | 47 | 31 Ų | 31 | 18% | 0.184 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.6 | -47.7 | 174.6 | 158.3 | -101.9 | 0 | 0 | 0 | 111.6 | Y602 S693 F697 T698 G699 T714 T715 | Y602-Y695 AromaticContact CD2-CD1 3.52Å; Y602-Y695 HydrophobicContact CD2-CD1 3.52Å; Y602-Y695 HydrophobicContact CD2-CD2 4.14Å; Y602-Y695 AromaticContact CD2-CE1 3.67Å; Y602-Y695 HydrophobicContact CD2-CE1 3.67Å; Y602-Y695 HydrophobicContact CD2-CE2 4.26Å; Y602-Y695 AromaticContact CD2-CG 3.77Å; Y602-Y695 HydrophobicContact CD2-CG 3.77Å; Y602-Y695 HydrophobicContact CE2-CD1 4Å; Y602-Y695 AromaticContact CE2-CE1 3.64Å; Y602-Y695 HydrophobicContact CE2-CE1 3.64Å; Y602-Y695 HydrophobicContact CE2-CE2 4.42Å; Y602-Y695 AromaticContact CE2-CZ 3.87Å; Y602-Y695 HydrophobicContact CG-CD1 4.48Å; Y602-Y695 HydrophobicContact CG-CD2 4.46Å; Y602-Y695 HydrophobicContact CG-CG 4.31Å; S693-Y695 PolarHBondContact O-N 2.85Å; Y695-F697 PolarHBondContact O-N 3.09Å; Y695-F697 VanDerWaalsContact O-N 3.16Å; Y695-T698 PolarHBondContact O-N 3.01Å; Y695-T698 VanDerWaalsContact O-N 3.14Å; Y695-T698 PolarHBondContact O-OG1 3.29Å; Y695-G699 PolarHBondContact O-N 3.12Å; Y695-T714 HydrophobicContact CD2-CG2 4.17Å; Y695-T715 HydrophobicContact CE2-CG2 4.21Å; Y695-T715 WeakPolarHBondContact OH-CG2 3.37Å |
| 696 | G | 89.3 | Confident | 88.4 | Confident | 42 Ų | 42 | 29.9 Ų | 29.9 | 43% | 0.433 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -60.7 | -27.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S693 A700 | S693-G696 PolarHBondContact O-N 2.84Å; G696-A700 PolarHBondContact O-N 3.3Å |
| 697 | F | 91.3 | Very high | 88.3 | Confident | 7 Ų | 7 | 29.9 Ų | 29.9 | 3% | 0.031 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69.3 | -44.9 | 175 | 177.4 | -97.3 | 0 | 0 | 0 | 112.8 | Q547 V550 I551 L554 Y613 S693 V694 Y695 G699 A700 L705 | Q547-F697 HydrophobicContact CB-CD2 4.12Å; Q547-F697 HydrophobicContact CB-CE2 4.13Å; Q547-F697 HydrophobicContact CG-CD2 4.09Å; Q547-F697 HydrophobicContact CG-CE2 4.38Å; V550-F697 HydrophobicContact CB-CB 4Å; V550-F697 HydrophobicContact CB-CD1 4.16Å; V550-F697 HydrophobicContact CB-CD2 3.77Å; V550-F697 HydrophobicContact CB-CE2 4.28Å; V550-F697 HydrophobicContact CB-CG 3.7Å; V550-F697 HydrophobicContact CG1-CB 3.9Å; V550-F697 HydrophobicContact CG1-CD1 3.49Å; V550-F697 VanDerWaalsContact CG1-CD1 3.49Å; V550-F697 HydrophobicContact CG1-CD2 4.05Å; V550-F697 HydrophobicContact CG1-CE1 3.99Å; V550-F697 HydrophobicContact CG1-CE2 4.49Å; V550-F697 HydrophobicContact CG1-CG 3.53Å; V550-F697 HydrophobicContact CG1-CZ 4.46Å; V550-F697 HydrophobicContact CG2-CB 3.88Å; V550-F697 HydrophobicContact CG2-CD2 4.36Å; V550-F697 HydrophobicContact CG2-CG 4.15Å; I551-F697 HydrophobicContact CD1-CE2 4.03Å; I551-F697 HydrophobicContact CD1-CZ 3.56Å; I551-F697 HydrophobicContact CG1-CE2 3.65Å; I551-F697 HydrophobicContact CG1-CZ 3.71Å; L554-F697 HydrophobicContact CD1-CD1 4.4Å; L554-F697 HydrophobicContact CD1-CE1 3.63Å; L554-F697 HydrophobicContact CD1-CZ 4.16Å; Y613-F697 VanDerWaalsContact OH-CE1 3.31Å; Y613-F697 WeakPolarHBondContact OH-CE1 3.4Å; S693-F697 WeakPolarHBondContact O-CB 3.38Å; S693-F697 PolarHBondContact O-N 3.39Å; V694-F697 WeakPolarHBondContact O-CB 3.25Å; V694-F697 PolarHBondContact O-N 3.18Å; Y695-F697 PolarHBondContact O-N 3.09Å; Y695-F697 VanDerWaalsContact O-N 3.16Å; F697-G699 VanDerWaalsContact C-N 3.32Å; F697-G699 PolarHBondContact O-N 2.97Å; F697-A700 PolarHBondContact O-N 3.21Å; F697-L705 HydrophobicContact CE1-CB 3.97Å; F697-L705 HydrophobicContact CZ-CB 3.91Å |
| 698 | T | 92.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.6 | -32 | -179.9 | 64.1 | 0 | 0 | 0 | 0 | 112.5 | M606 Y613 L650 V694 Y695 C707 I710 | M606-T698 HydrophobicContact CE-CG2 4.5Å; Y613-T698 HydrophobicContact CE2-CG2 4.35Å; L650-T698 HydrophobicContact CD1-CG2 3.69Å; V694-T698 PolarHBondContact O-N 3.44Å; Y695-T698 PolarHBondContact O-N 3.01Å; Y695-T698 VanDerWaalsContact O-N 3.14Å; Y695-T698 PolarHBondContact O-OG1 3.29Å; T698-C707 CarbonylContact O-C 3.56Å; T698-C707 PolarHBondContact O-N 2.92Å; T698-I710 HydrophobicContact CG2-CB 4.46Å; T698-I710 HydrophobicContact CG2-CD1 4.25Å; T698-I710 HydrophobicContact CG2-CG2 4.05Å |
| 699 | G | 88.6 | Confident | 88.1 | Confident | 17 Ų | 17 | 30.3 Ų | 30.3 | 18% | 0.175 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 1.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y695 F697 Q701 | Y695-G699 PolarHBondContact O-N 3.12Å; F697-G699 VanDerWaalsContact C-N 3.32Å; F697-G699 PolarHBondContact O-N 2.97Å; G699-Q701 PolarHBondContact O-N 3.07Å |
| 700 | A | 82.8 | Confident | 88.4 | Confident | 22 Ų | 22 | 27.4 Ų | 27.4 | 18% | 0.182 | 16% | 0.163 | C | C | . | . | trans | -78.2 | 109.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | G696 F697 V702 P706 | G696-A700 PolarHBondContact O-N 3.3Å; F697-A700 PolarHBondContact O-N 3.21Å; A700-V702 VanDerWaalsContact C-N 3.33Å; A700-V702 PolarHBondContact O-N 2.93Å; A700-P706 WeakPolarHBondContact O-CB 3.26Å | ||
| 701 | Q | 74 | Confident | 88.4 | Confident | 52 Ų | 52 | 27.3 Ų | 27.3 | 24% | 0.243 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -57.8 | -41.5 | 178.7 | -71.2 | 163.3 | -18.8 | 0 | 0 | 113.1 | G573 E574 D575 G699 | G573-Q701 PolarHBondContact O-NE2 2.72Å; E574-Q701 VanDerWaalsContact C-NE2 3.29Å; E574-Q701 PolarHBondContact O-NE2 3.18Å; D575-Q701 PolarHBondContact OD1-NE2 2.85Å; G699-Q701 PolarHBondContact O-N 3.07Å |
| 702 | V | 72.5 | Confident | 88.4 | Confident | 99 Ų | 99 | 29.8 Ų | 29.8 | 60% | 0.6 | 17% | 0.174 | S | C | * | . | S | Bend | trans | -102.8 | 105.1 | 174.3 | -177.6 | 0 | 0 | 0 | 0 | 107.9 | Q547 A700 | Q547-V702 PolarHBondContact NE2-O 2.88Å; A700-V702 VanDerWaalsContact C-N 3.33Å; A700-V702 PolarHBondContact O-N 2.93Å |
| 703 | G | 75.6 | Confident | 88.7 | Confident | 7 Ų | 7 | 26.1 Ų | 26.1 | 7% | 0.072 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -171.2 | 175.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q547 | Q547-G703 VanDerWaalsContact NE2-CA 3.33Å; Q547-G703 VanDerWaalsContact OE1-CA 3.31Å |
| 704 | K | 82.6 | Confident | 88.9 | Confident | 34 Ų | 34 | 25.1 Ų | 25.1 | 15% | 0.148 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -71.1 | -29.4 | -179.4 | -68 | -159.5 | -177 | -166.4 | 0 | 113.6 | N233 I551 | N233-K704 PolarHBondContact O-NZ 3.29Å; I551-K704 HydrophobicContact CD1-CB 3.64Å; I551-K704 HydrophobicContact CD1-CD 4.13Å; I551-K704 HydrophobicContact CD1-CG 4.44Å; I551-K704 HydrophobicContact CG1-CB 4.05Å; I551-K704 HydrophobicContact CG1-CD 4.03Å; I551-K704 HydrophobicContact CG1-CG 4.44Å; I551-K704 HydrophobicContact CG2-CD 4.38Å |
| 705 | L | 89.4 | Confident | 89 | Confident | 3 Ų | 3 | 25.1 Ų | 25.1 | 2% | 0.016 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -149 | 78.1 | 177.3 | -91.9 | 103 | 0 | 0 | 0 | 111.3 | I183 Y184 I551 L565 Y613 F697 | I183-L705 HydrophobicContact CG2-CD2 3.67Å; Y184-L705 HydrophobicContact CD2-CD2 4.41Å; Y184-L705 HydrophobicContact CE2-CD2 3.59Å; Y184-L705 HydrophobicContact CE2-CG 4.14Å; I551-L705 HydrophobicContact CD1-CD1 3.79Å; L565-L705 HydrophobicContact CB-CD1 4.06Å; L565-L705 HydrophobicContact CD1-CD1 4.06Å; L565-L705 HydrophobicContact CD2-CD1 4.23Å; L565-L705 HydrophobicContact CD2-CD2 4.13Å; L565-L705 HydrophobicContact CG-CD1 4.36Å; Y613-L705 HydrophobicContact CD1-CD2 4.3Å; Y613-L705 HydrophobicContact CE1-CB 4.23Å; Y613-L705 HydrophobicContact CE1-CD2 4.05Å; Y613-L705 PolarHBondContact OH-O 3.28Å; F697-L705 HydrophobicContact CE1-CB 3.97Å; F697-L705 HydrophobicContact CZ-CB 3.91Å |
| 706 | P | 87.8 | Confident | 89.1 | Confident | 35 Ų | 35 | 23.1 Ų | 23.1 | 23% | 0.227 | 14% | 0.14 | C | C | . | . | trans | -67.9 | 145.7 | 168.6 | 27.7 | -32.7 | 0 | 0 | 0 | 111.5 | Y184 A700 | Y184-P706 PolarHBondContact OH-O 3.48Å; A700-P706 WeakPolarHBondContact O-CB 3.26Å | ||
| 707 | C | 91.9 | Very high | 89.4 | Confident | 2 Ų | 2 | 21.6 Ų | 21.6 | 1% | 0.014 | 12% | 0.122 | C | C | . | . | trans | -152.5 | 91.7 | 169.3 | -176.9 | 0 | 0 | 0 | 0 | 110 | Y613 T698 E709 I710 S711 | Y613-C707 HydrophobicContact CD1-CB 3.8Å; Y613-C707 HydrophobicContact CE1-CB 3.33Å; T698-C707 CarbonylContact O-C 3.56Å; T698-C707 PolarHBondContact O-N 2.92Å; C707-E709 VanDerWaalsContact C-N 3.26Å; C707-E709 PolarHBondContact O-N 3.4Å; C707-E709 PolarHBondContact SG-OE2 2.87Å; C707-I710 HydrophobicContact CB-CD1 3.93Å; C707-I710 HydrophobicContact CB-CG1 4.39Å; C707-I710 PolarHBondContact O-N 3.03Å; C707-I710 WeakPolarHBondContact SG-CD1 3.42Å; C707-I710 VanDerWaalsContact SG-CG1 3.54Å; C707-S711 PolarHBondContact O-N 2.93Å | ||
| 708 | L | 91.4 | Very high | 89.6 | Confident | 37 Ų | 37 | 21.4 Ų | 21.4 | 19% | 0.194 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65.6 | -32.7 | -174.9 | -69.6 | -178.1 | 0 | 0 | 0 | 111.4 | F576 I710 S711 Q712 | F576-L708 HydrophobicContact CD1-CD2 3.89Å; F576-L708 HydrophobicContact CE1-CD2 4.2Å; L708-I710 VanDerWaalsContact C-N 3.27Å; L708-I710 PolarHBondContact O-N 3.28Å; L708-S711 WeakPolarHBondContact CA-OG 3.27Å; L708-S711 PolarHBondContact O-N 2.9Å; L708-S711 VanDerWaalsContact O-N 3.12Å; L708-S711 PolarHBondContact O-OG 3.16Å; L708-Q712 VanDerWaalsContact O-CB 3.24Å; L708-Q712 WeakPolarHBondContact O-CB 3.24Å; L708-Q712 VanDerWaalsContact O-CG 3.27Å; L708-Q712 WeakPolarHBondContact O-CG 3.17Å; L708-Q712 PolarHBondContact O-N 2.92Å |
| 709 | E | 94.2 | Very high | 89.6 | Confident | 70 Ų | 70 | 23.7 Ų | 23.7 | 33% | 0.327 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -56.8 | -40.5 | 179 | -61.2 | 84.7 | 168.2 | 0 | 0 | 111.6 | L616 F640 C707 S713 | L616-E709 HydrophobicContact CD1-CB 3.88Å; L616-E709 HydrophobicContact CD1-CG 4.24Å; L616-E709 HydrophobicContact CD2-CB 4.22Å; L616-E709 HydrophobicContact CD2-CG 4.26Å; F640-E709 HydrophobicContact CZ-CB 4.45Å; C707-E709 VanDerWaalsContact C-N 3.26Å; C707-E709 PolarHBondContact O-N 3.4Å; C707-E709 PolarHBondContact SG-OE2 2.87Å; E709-S713 WeakPolarHBondContact O-CB 3.48Å; E709-S713 PolarHBondContact O-N 3.08Å; E709-S713 VanDerWaalsContact O-N 3.1Å; E709-S713 PolarHBondContact O-OG 2.66Å |
| 710 | I | 95.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -67.6 | -53.7 | 174.7 | -65.4 | 167.1 | 0 | 0 | 0 | 109.6 | M606 L611 Y613 F640 L650 T698 C707 L708 Q712 S713 T714 | M606-I710 HydrophobicContact CE-CG2 3.9Å; L611-I710 HydrophobicContact CB-CG2 4.22Å; Y613-I710 HydrophobicContact CD1-CD1 4.27Å; Y613-I710 HydrophobicContact CD2-CD1 4.31Å; Y613-I710 HydrophobicContact CE1-CD1 4.42Å; Y613-I710 HydrophobicContact CE2-CD1 4.45Å; Y613-I710 HydrophobicContact CG-CD1 4.2Å; F640-I710 HydrophobicContact CE1-CG1 3.92Å; F640-I710 HydrophobicContact CZ-CG1 4.11Å; L650-I710 HydrophobicContact CD1-CD1 4Å; T698-I710 HydrophobicContact CG2-CB 4.46Å; T698-I710 HydrophobicContact CG2-CD1 4.25Å; T698-I710 HydrophobicContact CG2-CG2 4.05Å; C707-I710 HydrophobicContact CB-CD1 3.93Å; C707-I710 HydrophobicContact CB-CG1 4.39Å; C707-I710 PolarHBondContact O-N 3.03Å; C707-I710 WeakPolarHBondContact SG-CD1 3.42Å; C707-I710 VanDerWaalsContact SG-CG1 3.54Å; L708-I710 VanDerWaalsContact C-N 3.27Å; L708-I710 PolarHBondContact O-N 3.28Å; I710-Q712 PolarHBondContact O-N 2.82Å; I710-S713 PolarHBondContact O-N 2.77Å; I710-T714 WeakPolarHBondContact O-CB 3.45Å; I710-T714 PolarHBondContact O-N 2.86Å; I710-T714 PolarHBondContact O-OG1 3.44Å |
| 711 | S | 93.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.5 | -39.7 | -175.1 | 65.9 | 0 | 0 | 0 | 0 | 113.7 | C707 L708 T715 | C707-S711 PolarHBondContact O-N 2.93Å; L708-S711 WeakPolarHBondContact CA-OG 3.27Å; L708-S711 PolarHBondContact O-N 2.9Å; L708-S711 VanDerWaalsContact O-N 3.12Å; L708-S711 PolarHBondContact O-OG 3.16Å; S711-T715 WeakPolarHBondContact O-CG2 3.32Å; S711-T715 PolarHBondContact O-N 3Å; S711-T715 PolarHBondContact O-OG1 3.23Å |
| 712 | Q | 94.9 | Very high | 91.4 | Very high | 53 Ų | 53 | 23.5 Ų | 23.5 | 25% | 0.248 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.6 | -44.2 | 173.6 | -75.5 | 177.2 | -5.5 | 0 | 0 | 111.4 | F576 H638 L708 I710 T715 A716 | F576-Q712 HydrophobicContact CB-CG 3.61Å; F576-Q712 HydrophobicContact CD2-CG 3.96Å; F576-Q712 HydrophobicContact CG-CG 3.91Å; H638-Q712 PolarHBondContact NE2-OE1 3.03Å; L708-Q712 VanDerWaalsContact O-CB 3.24Å; L708-Q712 WeakPolarHBondContact O-CB 3.24Å; L708-Q712 VanDerWaalsContact O-CG 3.27Å; L708-Q712 WeakPolarHBondContact O-CG 3.17Å; L708-Q712 PolarHBondContact O-N 2.92Å; I710-Q712 PolarHBondContact O-N 2.82Å; Q712-T715 PolarHBondContact O-OG1 2.72Å; Q712-A716 WeakPolarHBondContact O-CB 3.33Å; Q712-A716 PolarHBondContact O-N 2.81Å |
| 713 | S | 96.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.3 | -44.2 | 177.7 | -62.3 | 0 | 0 | 0 | 0 | 111.7 | T634 S636 E709 I710 T715 A716 F717 | T634-S713 WeakPolarHBondContact CB-OG 3.41Å; T634-S713 WeakPolarHBondContact CG2-OG 3.23Å; T634-S713 PolarHBondContact OG1-OG 2.79Å; S636-S713 VanDerWaalsContact OG-CA 3.32Å; S636-S713 WeakPolarHBondContact OG-CA 3.35Å; S636-S713 PolarHBondContact OG-N 2.86Å; S636-S713 PolarHBondContact OG-OG 2.98Å; S636-S713 VanDerWaalsContact OG-OG 3.11Å; E709-S713 WeakPolarHBondContact O-CB 3.48Å; E709-S713 PolarHBondContact O-N 3.08Å; E709-S713 VanDerWaalsContact O-N 3.1Å; E709-S713 PolarHBondContact O-OG 2.66Å; I710-S713 PolarHBondContact O-N 2.77Å; S713-T715 PolarHBondContact O-N 2.82Å; S713-A716 PolarHBondContact O-N 3.45Å; S713-F717 VanDerWaalsContact O-CD2 3.23Å; S713-F717 WeakPolarHBondContact O-CD2 3.32Å; S713-F717 PolarHBondContact O-N 2.88Å |
| 714 | T | 96.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.5 | -48.2 | 178 | -59.8 | 0 | 0 | 0 | 0 | 111.3 | Y602 I605 M606 L611 Y695 I710 G718 | Y602-T714 HydrophobicContact CD1-CG2 3.67Å; Y602-T714 HydrophobicContact CE1-CG2 4.49Å; Y602-T714 HydrophobicContact CG-CG2 3.82Å; I605-T714 HydrophobicContact CB-CG2 4.28Å; I605-T714 WeakPolarHBondContact CD1-O 3.46Å; I605-T714 HydrophobicContact CG2-CG2 4.03Å; M606-T714 HydrophobicContact CG-CG2 4.15Å; M606-T714 WeakPolarHBondContact CG-OG1 3.34Å; L611-T714 WeakPolarHBondContact CD1-OG1 3.39Å; Y695-T714 HydrophobicContact CD2-CG2 4.17Å; I710-T714 WeakPolarHBondContact O-CB 3.45Å; I710-T714 PolarHBondContact O-N 2.86Å; I710-T714 PolarHBondContact O-OG1 3.44Å; T714-G718 PolarHBondContact O-N 3.39Å |
| 715 | T | 94.7 | Very high | 94 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.006 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -66.5 | -40.2 | 177.6 | 52.1 | 0 | 0 | 0 | 0 | 111.8 | F576 I577 Y695 S711 Q712 S713 G718 R719 | F576-T715 HydrophobicContact CE2-CG2 4.04Å; I577-T715 PolarHBondContact O-OG1 3.24Å; Y695-T715 HydrophobicContact CE2-CG2 4.21Å; Y695-T715 WeakPolarHBondContact OH-CG2 3.37Å; S711-T715 WeakPolarHBondContact O-CG2 3.32Å; S711-T715 PolarHBondContact O-N 3Å; S711-T715 PolarHBondContact O-OG1 3.23Å; Q712-T715 PolarHBondContact O-OG1 2.72Å; S713-T715 PolarHBondContact O-N 2.82Å; T715-G718 PolarHBondContact O-N 3.44Å; T715-G718 VanDerWaalsContact O-N 3.13Å; T715-R719 VanDerWaalsContact O-CG 3.31Å; T715-R719 WeakPolarHBondContact O-CG 3.45Å; T715-R719 PolarHBondContact O-N 3.11Å; T715-R719 PolarHBondContact OG1-NH1 2.61Å |
| 716 | A | 95.5 | Very high | 94.4 | Very high | 4 Ų | 4 | 27.6 Ų | 27.6 | 3% | 0.033 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.3 | -40.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | P635 Q712 S713 R719 M720 | P635-A716 HydrophobicContact CB-CB 3.92Å; P635-A716 HydrophobicContact CG-CB 4.38Å; Q712-A716 WeakPolarHBondContact O-CB 3.33Å; Q712-A716 PolarHBondContact O-N 2.81Å; S713-A716 PolarHBondContact O-N 3.45Å; A716-R719 PolarHBondContact O-N 3.45Å; A716-M720 PolarHBondContact O-N 2.82Å; A716-M720 VanDerWaalsContact O-N 3.12Å |
| 717 | F | 96 | Very high | 94.8 | Very high | 11 Ų | 11 | 32 Ų | 32 | 5% | 0.048 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.6 | -45.2 | 169.2 | -81.4 | -63 | 0 | 0 | 0 | 111.4 | I605 H609 L611 V632 T634 P635 S713 R719 M720 M721 | I605-F717 HydrophobicContact CD1-CB 4.1Å; I605-F717 HydrophobicContact CG1-CB 4.39Å; I605-F717 HydrophobicContact CG2-CB 3.67Å; I605-F717 HydrophobicContact CG2-CD2 4.01Å; I605-F717 HydrophobicContact CG2-CG 4.17Å; H609-F717 HydrophobicContact CB-CD2 4.41Å; H609-F717 HydrophobicContact CB-CE2 3.86Å; H609-F717 HydrophobicContact CB-CZ 4.17Å; H609-F717 AromaticContact CD2-CD1 3.97Å; H609-F717 AromaticContact CD2-CD2 3.87Å; H609-F717 AromaticContact CD2-CE2 3.94Å; H609-F717 AromaticContact CD2-CG 3.89Å; H609-F717 AromaticContact CE1-CE1 3.66Å; H609-F717 AromaticContact CE1-CZ 3.99Å; H609-F717 AromaticContact CG-CE2 3.71Å; H609-F717 AromaticContact CG-CZ 3.69Å; H609-F717 AromaticContact ND1-CE1 3.84Å; H609-F717 AromaticContact ND1-CZ 3.68Å; H609-F717 AromaticContact NE2-CD1 3.69Å; H609-F717 AromaticContact NE2-CE1 3.79Å; L611-F717 HydrophobicContact CD1-CD2 4.33Å; L611-F717 HydrophobicContact CD2-CE2 4.31Å; V632-F717 HydrophobicContact CG2-CZ 4.21Å; T634-F717 HydrophobicContact CG2-CE2 3.73Å; T634-F717 HydrophobicContact CG2-CZ 4.22Å; P635-F717 HydrophobicContact CG-CD1 3.77Å; P635-F717 HydrophobicContact CG-CE1 3.9Å; P635-F717 HydrophobicContact CG-CG 4.21Å; P635-F717 HydrophobicContact CG-CZ 4.44Å; S713-F717 VanDerWaalsContact O-CD2 3.23Å; S713-F717 WeakPolarHBondContact O-CD2 3.32Å; S713-F717 PolarHBondContact O-N 2.88Å; F717-R719 VanDerWaalsContact C-N 3.28Å; F717-R719 PolarHBondContact O-N 2.83Å; F717-M720 HydrophobicContact CD1-CE 3.85Å; F717-M720 HydrophobicContact CE1-CE 4.28Å; F717-M720 PolarHBondContact O-N 3.08Å; F717-M721 WeakPolarHBondContact O-CB 3.03Å; F717-M721 WeakPolarHBondContact O-CG 3.44Å; F717-M721 PolarHBondContact O-N 2.84Å |
| 718 | G | 94.4 | Very high | 95 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 2% | 0.021 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -57.2 | -41.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | T714 T715 M721 I722 | T714-G718 PolarHBondContact O-N 3.39Å; T715-G718 PolarHBondContact O-N 3.44Å; T715-G718 VanDerWaalsContact O-N 3.13Å; G718-M721 PolarHBondContact O-N 2.94Å; G718-I722 WeakPolarHBondContact O-CG1 3.36Å; G718-I722 PolarHBondContact O-N 2.97Å; G718-I722 VanDerWaalsContact O-N 3.11Å |
| 719 | R | 93.5 | Very high | 95.3 | Very high | 49 Ų | 49 | 32 Ų | 32 | 19% | 0.185 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58 | -55.7 | 173.6 | -66.9 | -159.6 | -73.6 | -78.8 | -3.6 | 112 | I577 G578 T580 T715 A716 F717 M721 I722 D723 | I577-R719 PolarHBondContact O-NH1 3.14Å; G578-R719 PolarHBondContact O-NH1 2.73Å; T580-R719 WeakPolarHBondContact OG1-CA 3.44Å; T580-R719 WeakPolarHBondContact OG1-CB 3.2Å; T580-R719 WeakPolarHBondContact OG1-CD 3.39Å; T580-R719 WeakPolarHBondContact OG1-CG 3.42Å; T715-R719 VanDerWaalsContact O-CG 3.31Å; T715-R719 WeakPolarHBondContact O-CG 3.45Å; T715-R719 PolarHBondContact O-N 3.11Å; T715-R719 PolarHBondContact OG1-NH1 2.61Å; A716-R719 PolarHBondContact O-N 3.45Å; F717-R719 VanDerWaalsContact C-N 3.28Å; F717-R719 PolarHBondContact O-N 2.83Å; R719-M721 PolarHBondContact O-N 2.85Å; R719-I722 PolarHBondContact O-N 2.99Å; R719-D723 PolarHBondContact O-N 3.18Å |
| 720 | M | 94.2 | Very high | 95.5 | Very high | 84 Ų | 84 | 31.6 Ų | 31.6 | 41% | 0.414 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -57.7 | -36.8 | 179.2 | -175.6 | -171.2 | 77.5 | 0 | 0 | 112.2 | P635 A716 F717 R724 | P635-M720 HydrophobicContact CG-SD 4.08Å; A716-M720 PolarHBondContact O-N 2.82Å; A716-M720 VanDerWaalsContact O-N 3.12Å; F717-M720 HydrophobicContact CD1-CE 3.85Å; F717-M720 HydrophobicContact CE1-CE 4.28Å; F717-M720 PolarHBondContact O-N 3.08Å; M720-R724 VanDerWaalsContact O-CB 3.28Å; M720-R724 WeakPolarHBondContact O-CB 3.37Å; M720-R724 PolarHBondContact O-N 2.96Å |
| 721 | M | 95 | Very high | 95.5 | Very high | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -69.2 | -41.3 | 179.6 | -71.6 | 169.5 | 54.5 | 0 | 0 | 112.6 | F598 L601 I605 F717 G718 R719 R724 T725 F780 I784 | F598-M721 HydrophobicContact CD1-CE 3.81Å; F598-M721 HydrophobicContact CD2-CE 4.39Å; F598-M721 HydrophobicContact CE1-CE 3.39Å; F598-M721 HydrophobicContact CE2-CB 4.23Å; F598-M721 HydrophobicContact CE2-CE 4.03Å; F598-M721 HydrophobicContact CG-CE 4.3Å; F598-M721 HydrophobicContact CZ-CB 4.07Å; F598-M721 HydrophobicContact CZ-CE 3.51Å; L601-M721 HydrophobicContact CD1-CE 3.4Å; L601-M721 VanDerWaalsContact CD1-CE 3.4Å; L601-M721 HydrophobicContact CD1-SD 4.12Å; I605-M721 HydrophobicContact CD1-SD 3.71Å; I605-M721 HydrophobicContact CG1-CE 4.42Å; I605-M721 HydrophobicContact CG1-SD 3.65Å; F717-M721 WeakPolarHBondContact O-CB 3.03Å; F717-M721 WeakPolarHBondContact O-CG 3.44Å; F717-M721 PolarHBondContact O-N 2.84Å; G718-M721 PolarHBondContact O-N 2.94Å; R719-M721 PolarHBondContact O-N 2.85Å; M721-R724 PolarHBondContact O-N 3.49Å; M721-T725 WeakPolarHBondContact O-CB 3.47Å; M721-T725 PolarHBondContact O-N 3.43Å; M721-T725 PolarHBondContact O-OG1 2.68Å; M721-F780 HydrophobicContact CB-CE1 3.93Å; M721-F780 HydrophobicContact CB-CZ 4.08Å; M721-F780 HydrophobicContact CG-CD1 3.98Å; M721-F780 HydrophobicContact CG-CE1 3.63Å; M721-F780 HydrophobicContact CG-CZ 4.27Å; M721-I784 HydrophobicContact CE-CB 4.48Å; M721-I784 HydrophobicContact CE-CD1 4.11Å; M721-I784 HydrophobicContact CE-CG1 4.49Å; M721-I784 HydrophobicContact CE-CG2 3.27Å; M721-I784 HydrophobicContact SD-CD1 4.03Å |
| 722 | I | 93.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.4 | -43.9 | 176.5 | -70.8 | -69.4 | 0 | 0 | 0 | 110.9 | T580 I582 F598 G718 R719 T725 K726 T750 V753 | T580-I722 HydrophobicContact CG2-CG2 4.29Å; I582-I722 HydrophobicContact CD1-CG2 3.57Å; I582-I722 HydrophobicContact CG1-CG2 3.89Å; F598-I722 HydrophobicContact CD2-CD1 4.21Å; F598-I722 HydrophobicContact CE2-CD1 4.03Å; G718-I722 WeakPolarHBondContact O-CG1 3.36Å; G718-I722 PolarHBondContact O-N 2.97Å; G718-I722 VanDerWaalsContact O-N 3.11Å; R719-I722 PolarHBondContact O-N 2.99Å; I722-T725 PolarHBondContact O-N 2.82Å; I722-K726 PolarHBondContact O-N 3.36Å; I722-K726 VanDerWaalsContact O-N 3.09Å; I722-T750 WeakPolarHBondContact CG1-O 3.42Å; I722-V753 HydrophobicContact CD1-CG1 4.03Å; I722-V753 HydrophobicContact CG2-CG1 4.28Å |
| 723 | D | 93.9 | Very high | 95.8 | Very high | 68 Ų | 68 | 34.5 Ų | 34.5 | 36% | 0.364 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -63.6 | -44.9 | 177.1 | -66.4 | -33.4 | 0 | 0 | 0 | 111.2 | R719 T725 K726 E727 | R719-D723 PolarHBondContact O-N 3.18Å; D723-T725 PolarHBondContact O-N 3.29Å; D723-K726 WeakPolarHBondContact O-CB 3.4Å; D723-K726 PolarHBondContact O-N 2.95Å; D723-E727 WeakPolarHBondContact O-CG 3.3Å; D723-E727 PolarHBondContact O-N 3.48Å |
| 724 | R | 95.1 | Very high | 95.8 | Very high | 93 Ų | 93 | 38 Ų | 38 | 35% | 0.351 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -63.9 | -40 | 176.4 | -173.8 | 170.7 | -174.4 | -170.5 | -1.4 | 112.7 | M720 M721 K726 E727 E728 K779 F780 | M720-R724 VanDerWaalsContact O-CB 3.28Å; M720-R724 WeakPolarHBondContact O-CB 3.37Å; M720-R724 PolarHBondContact O-N 2.96Å; M721-R724 PolarHBondContact O-N 3.49Å; R724-K726 VanDerWaalsContact C-N 3.29Å; R724-K726 PolarHBondContact O-N 3.46Å; R724-E727 PolarHBondContact O-N 2.87Å; R724-E728 HydrophobicContact CG-CG 4.08Å; R724-E728 IonicContact NE-OE1 2.8Å; R724-E728 IonicContact NH2-OE1 3.66Å; R724-E728 WeakPolarHBondContact O-CB 3.19Å; R724-E728 VanDerWaalsContact O-CG 3.22Å; R724-E728 WeakPolarHBondContact O-CG 3.25Å; R724-E728 PolarHBondContact O-N 2.89Å; R724-K779 PolarHBondContact NH1-O 2.99Å; R724-F780 HydrophobicContact CB-CE1 4.26Å; R724-F780 HydrophobicContact CB-CZ 4.13Å; R724-F780 HydrophobicContact CG-CE1 4.29Å; R724-F780 HydrophobicContact CG-CZ 4.2Å |
| 725 | T | 96.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.8 | -44.2 | 174.8 | -69.6 | 0 | 0 | 0 | 0 | 110.5 | F598 M721 I722 D723 V729 V753 V776 L786 | F598-T725 WeakPolarHBondContact CZ-OG1 3.44Å; M721-T725 WeakPolarHBondContact O-CB 3.47Å; M721-T725 PolarHBondContact O-N 3.43Å; M721-T725 PolarHBondContact O-OG1 2.68Å; I722-T725 PolarHBondContact O-N 2.82Å; D723-T725 PolarHBondContact O-N 3.29Å; T725-V729 HydrophobicContact CG2-CG2 4.39Å; T725-V729 WeakPolarHBondContact O-CB 3.48Å; T725-V729 VanDerWaalsContact O-CG2 3.22Å; T725-V729 WeakPolarHBondContact O-CG2 3.32Å; T725-V729 PolarHBondContact O-N 3.23Å; T725-V753 HydrophobicContact CG2-CB 4.49Å; T725-V753 HydrophobicContact CG2-CG1 4.08Å; T725-V753 HydrophobicContact CG2-CG2 3.67Å; T725-V776 HydrophobicContact CG2-CG1 4.08Å; T725-L786 HydrophobicContact CG2-CD2 3.94Å |
| 726 | K | 96.2 | Very high | 95.7 | Very high | 68 Ų | 68 | 48.7 Ų | 48.7 | 30% | 0.296 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.1 | -50.9 | 175.3 | 167.3 | 179.9 | 176 | -167.9 | 0 | 111.9 | I582 I722 D723 R724 E728 V729 E730 V745 | I582-K726 HydrophobicContact CD1-CB 4.16Å; I582-K726 HydrophobicContact CD1-CD 4.13Å; I722-K726 PolarHBondContact O-N 3.36Å; I722-K726 VanDerWaalsContact O-N 3.09Å; D723-K726 WeakPolarHBondContact O-CB 3.4Å; D723-K726 PolarHBondContact O-N 2.95Å; R724-K726 VanDerWaalsContact C-N 3.29Å; R724-K726 PolarHBondContact O-N 3.46Å; K726-E728 PolarHBondContact O-N 2.91Å; K726-V729 PolarHBondContact O-N 2.97Å; K726-E730 WeakPolarHBondContact CE-OE1 3.39Å; K726-E730 VanDerWaalsContact CE-OE2 3.28Å; K726-E730 WeakPolarHBondContact CE-OE2 3.36Å; K726-E730 HydrophobicContact CG-CG 4.41Å; K726-E730 WeakPolarHBondContact O-CB 3.36Å; K726-E730 WeakPolarHBondContact O-CG 3.26Å; K726-E730 PolarHBondContact O-N 3.2Å; K726-V745 HydrophobicContact CB-CB 4.18Å; K726-V745 HydrophobicContact CB-CG1 4.43Å; K726-V745 HydrophobicContact CB-CG2 3.95Å; K726-V745 HydrophobicContact CD-CB 4.3Å; K726-V745 HydrophobicContact CG-CB 3.89Å; K726-V745 HydrophobicContact CG-CG2 3.94Å |
| 727 | E | 96.7 | Very high | 95.7 | Very high | 128 Ų | 128 | 52.2 Ų | 52.2 | 60% | 0.598 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -59.4 | -46.7 | -178.8 | -70.3 | 171.7 | 179.4 | 0 | 0 | 112 | D723 R724 A731 | D723-E727 WeakPolarHBondContact O-CG 3.3Å; D723-E727 PolarHBondContact O-N 3.48Å; R724-E727 PolarHBondContact O-N 2.87Å; E727-A731 WeakPolarHBondContact O-CB 3.39Å; E727-A731 PolarHBondContact O-N 2.79Å |
| 728 | E | 97.5 | Very high | 95.6 | Very high | 39 Ų | 39 | 55 Ų | 55 | 18% | 0.182 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67 | -38.2 | -179.2 | -64.3 | -82.2 | -178 | 0 | 0 | 111.7 | R724 K726 H732 F775 V776 K779 | R724-E728 HydrophobicContact CG-CG 4.08Å; R724-E728 IonicContact NE-OE1 2.8Å; R724-E728 IonicContact NH2-OE1 3.66Å; R724-E728 WeakPolarHBondContact O-CB 3.19Å; R724-E728 VanDerWaalsContact O-CG 3.22Å; R724-E728 WeakPolarHBondContact O-CG 3.25Å; R724-E728 PolarHBondContact O-N 2.89Å; K726-E728 PolarHBondContact O-N 2.91Å; E728-H732 WeakPolarHBondContact O-CB 3.45Å; E728-H732 PolarHBondContact O-N 3.46Å; E728-F775 HydrophobicContact CB-CE1 4.16Å; E728-V776 HydrophobicContact CB-CG2 4.39Å; E728-K779 HydrophobicContact CG-CG 4.19Å; E728-K779 IonicContact OE1-NZ 2.73Å; E728-K779 WeakPolarHBondContact OE2-CE 3.44Å; E728-K779 IonicContact OE2-NZ 3.67Å; E728-K779 PolarHBondContact OE2-NZ 2.69Å |
| 729 | V | 97.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.9 | -54.4 | 176.2 | 169.7 | 0 | 0 | 0 | 0 | 110.9 | T725 K726 A731 H732 F733 S743 V745 V755 F757 V776 | T725-V729 HydrophobicContact CG2-CG2 4.39Å; T725-V729 WeakPolarHBondContact O-CB 3.48Å; T725-V729 VanDerWaalsContact O-CG2 3.22Å; T725-V729 WeakPolarHBondContact O-CG2 3.32Å; T725-V729 PolarHBondContact O-N 3.23Å; K726-V729 PolarHBondContact O-N 2.97Å; V729-A731 VanDerWaalsContact C-N 3.28Å; V729-A731 PolarHBondContact O-N 3.03Å; V729-H732 PolarHBondContact O-N 2.69Å; V729-F733 HydrophobicContact CG1-CD2 4.25Å; V729-F733 WeakPolarHBondContact O-CD2 3.06Å; V729-F733 PolarHBondContact O-N 2.9Å; V729-S743 PolarHBondContact O-OG 2.93Å; V729-V745 HydrophobicContact CB-CG2 4.38Å; V729-V745 HydrophobicContact CG1-CG2 4.28Å; V729-V755 HydrophobicContact CG1-CG1 3.63Å; V729-V755 HydrophobicContact CG1-CG2 4.21Å; V729-F757 HydrophobicContact CG1-CE1 4.48Å; V729-V776 HydrophobicContact CG2-CG2 3.8Å |
| 730 | E | 97.6 | Very high | 95.5 | Very high | 60 Ų | 60 | 58.7 Ų | 58.7 | 28% | 0.28 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.5 | -31.7 | -177 | -66.4 | -176.7 | 167.4 | 0 | 0 | 112 | K726 V745 | K726-E730 WeakPolarHBondContact CE-OE1 3.39Å; K726-E730 VanDerWaalsContact CE-OE2 3.28Å; K726-E730 WeakPolarHBondContact CE-OE2 3.36Å; K726-E730 HydrophobicContact CG-CG 4.41Å; K726-E730 WeakPolarHBondContact O-CB 3.36Å; K726-E730 WeakPolarHBondContact O-CG 3.26Å; K726-E730 PolarHBondContact O-N 3.2Å; E730-V745 HydrophobicContact CG-CG2 4.33Å; E730-V745 PolarHBondContact OE1-N 3Å |
| 731 | A | 96.9 | Very high | 95.5 | Very high | 57 Ų | 57 | 55.6 Ų | 55.6 | 47% | 0.471 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -76.7 | -33.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | E727 V729 K734 N737 | E727-A731 WeakPolarHBondContact O-CB 3.39Å; E727-A731 PolarHBondContact O-N 2.79Å; V729-A731 VanDerWaalsContact C-N 3.28Å; V729-A731 PolarHBondContact O-N 3.03Å; A731-K734 WeakPolarHBondContact O-CE 3.09Å; A731-N737 PolarHBondContact O-ND2 2.98Å |
| 732 | H | 97 | Very high | 95.5 | Very high | 56 Ų | 56 | 60.4 Ų | 60.4 | 26% | 0.259 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -87.1 | -49 | -177 | -167.3 | 72.4 | 0 | 0 | 0 | 112.4 | E728 V729 K734 N737 Y739 F775 | E728-H732 WeakPolarHBondContact O-CB 3.45Å; E728-H732 PolarHBondContact O-N 3.46Å; V729-H732 PolarHBondContact O-N 2.69Å; H732-K734 PolarHBondContact O-N 2.97Å; H732-K734 VanDerWaalsContact O-N 3.08Å; H732-N737 WeakPolarHBondContact O-CB 3.38Å; H732-N737 PolarHBondContact O-ND2 3.24Å; H732-Y739 PolarHBondContact CD2-OH 2.83Å; H732-Y739 PolarHBondContact NE2-OH 3.08Å; H732-Y739 VanDerWaalsContact NE2-OH 3.16Å; H732-Y739 WeakPolarHBondContact O-CD2 3.41Å; H732-Y739 VanDerWaalsContact O-CE2 3.27Å; H732-Y739 WeakPolarHBondContact O-CE2 3.34Å; H732-F775 HydrophobicContact CB-CD1 4.26Å; H732-F775 HydrophobicContact CB-CE1 3.57Å; H732-F775 HydrophobicContact CB-CZ 3.83Å; H732-F775 AromaticContact CE1-CE2 3.8Å; H732-F775 AromaticContact CG-CE1 3.67Å; H732-F775 AromaticContact CG-CZ 3.61Å; H732-F775 AromaticContact ND1-CE2 3.72Å; H732-F775 AromaticContact ND1-CZ 3.57Å |
| 733 | F | 97.2 | Very high | 95.7 | Very high | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.009 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -89.2 | 75.9 | -175 | -64 | -90.6 | 0 | 0 | 0 | 110.3 | V729 Y739 S743 F757 L768 E771 A772 F775 | V729-F733 HydrophobicContact CG1-CD2 4.25Å; V729-F733 WeakPolarHBondContact O-CD2 3.06Å; V729-F733 PolarHBondContact O-N 2.9Å; F733-Y739 AromaticContact CD1-CD1 3.72Å; F733-Y739 HydrophobicContact CD1-CD1 3.72Å; F733-Y739 HydrophobicContact CD1-CD2 4.39Å; F733-Y739 AromaticContact CD1-CE1 3.4Å; F733-Y739 HydrophobicContact CD1-CE1 3.4Å; F733-Y739 VanDerWaalsContact CD1-CE1 3.4Å; F733-Y739 HydrophobicContact CD1-CE2 4.11Å; F733-Y739 HydrophobicContact CD1-CG 4.21Å; F733-Y739 AromaticContact CD1-CZ 3.61Å; F733-Y739 HydrophobicContact CE1-CD1 4.33Å; F733-Y739 AromaticContact CE1-CE1 3.58Å; F733-Y739 HydrophobicContact CE1-CE1 3.58Å; F733-Y739 AromaticContact CE1-CZ 3.73Å; F733-Y739 HydrophobicContact CG-CE1 4.49Å; F733-S743 WeakPolarHBondContact CB-OG 3.49Å; F733-S743 WeakPolarHBondContact O-CB 3.45Å; F733-S743 PolarHBondContact O-N 3.14Å; F733-S743 PolarHBondContact O-OG 3.16Å; F733-F757 HydrophobicContact CB-CD1 4.14Å; F733-F757 HydrophobicContact CB-CE1 3.99Å; F733-F757 HydrophobicContact CD1-CD1 4.21Å; F733-F757 AromaticContact CD1-CE1 3.75Å; F733-F757 HydrophobicContact CD1-CE1 3.75Å; F733-F757 HydrophobicContact CD2-CE1 4.11Å; F733-F757 HydrophobicContact CE1-CE1 4.27Å; F733-F757 HydrophobicContact CG-CD1 4.23Å; F733-F757 AromaticContact CG-CE1 3.68Å; F733-F757 HydrophobicContact CG-CE1 3.68Å; F733-L768 HydrophobicContact CD1-CD2 4.24Å; F733-L768 HydrophobicContact CE1-CD2 4.27Å; F733-E771 HydrophobicContact CE1-CB 4.41Å; F733-E771 HydrophobicContact CE1-CG 4.2Å; F733-E771 HydrophobicContact CZ-CB 4.44Å; F733-E771 HydrophobicContact CZ-CG 4.18Å; F733-A772 HydrophobicContact CD2-CB 4.42Å; F733-A772 HydrophobicContact CE1-CB 4.4Å; F733-A772 HydrophobicContact CE2-CB 3.57Å; F733-A772 VanDerWaalsContact CZ-CA 3.44Å; F733-A772 HydrophobicContact CZ-CB 3.57Å; F733-F775 HydrophobicContact CE2-CD1 4.27Å |
| 734 | K | 95.7 | Very high | 95.9 | Very high | 73 Ų | 73 | 63.1 Ų | 63.1 | 32% | 0.317 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -138.4 | 159.4 | 179.2 | 60.8 | 175 | 178.4 | 168.5 | 0 | 112.7 | A731 H732 S736 N737 Y739 D742 | A731-K734 WeakPolarHBondContact O-CE 3.09Å; H732-K734 PolarHBondContact O-N 2.97Å; H732-K734 VanDerWaalsContact O-N 3.08Å; K734-S736 VanDerWaalsContact C-N 3.26Å; K734-S736 VanDerWaalsContact CD-OG 3.27Å; K734-S736 WeakPolarHBondContact CD-OG 3.46Å; K734-S736 WeakPolarHBondContact CE-OG 3.19Å; K734-S736 PolarHBondContact NZ-OG 2.79Å; K734-S736 PolarHBondContact O-N 2.86Å; K734-N737 WeakPolarHBondContact CE-ND2 3.39Å; K734-N737 VanDerWaalsContact CE-OD1 3.27Å; K734-N737 WeakPolarHBondContact CE-OD1 3.49Å; K734-N737 HydrophobicContact CG-CB 4.2Å; K734-N737 PolarHBondContact O-N 2.74Å; K734-Y739 PolarHBondContact O-N 2.93Å; K734-D742 WeakPolarHBondContact CA-OD1 3.27Å; K734-D742 WeakPolarHBondContact CB-OD1 3.5Å |
| 735 | K | 94.4 | Very high | 96 | Very high | 134 Ų | 134 | 59 Ų | 59 | 58% | 0.583 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -55.4 | -40 | -178.2 | -72 | -175.5 | 178.2 | -178.2 | 0 | 113.1 | N737 G738 Y739 P740 D742 | K735-N737 PolarHBondContact O-N 2.88Å; K735-N737 VanDerWaalsContact O-N 3.16Å; K735-G738 PolarHBondContact O-N 3.45Å; K735-Y739 WeakPolarHBondContact CA-O 3.13Å; K735-P740 VanDerWaalsContact CE-O 3.3Å; K735-P740 WeakPolarHBondContact CE-O 3.4Å; K735-D742 PolarHBondContact N-OD1 3.35Å |
| 736 | S | 94.9 | Very high | 96 | Very high | 91 Ų | 91 | 59 Ų | 59 | 64% | 0.636 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -64.1 | -20.1 | 179.7 | 71.2 | 0 | 0 | 0 | 0 | 113.7 | K734 | K734-S736 VanDerWaalsContact C-N 3.26Å; K734-S736 VanDerWaalsContact CD-OG 3.27Å; K734-S736 WeakPolarHBondContact CD-OG 3.46Å; K734-S736 WeakPolarHBondContact CE-OG 3.19Å; K734-S736 PolarHBondContact NZ-OG 2.79Å; K734-S736 PolarHBondContact O-N 2.86Å |
| 737 | N | 95.3 | Very high | 96.1 | Very high | 78 Ų | 78 | 55.7 Ų | 55.7 | 42% | 0.417 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -98.6 | 8.9 | 178.5 | -62.8 | -4.8 | 0 | 0 | 0 | 112.1 | A731 H732 K734 K735 Y739 | A731-N737 PolarHBondContact O-ND2 2.98Å; H732-N737 WeakPolarHBondContact O-CB 3.38Å; H732-N737 PolarHBondContact O-ND2 3.24Å; K734-N737 WeakPolarHBondContact CE-ND2 3.39Å; K734-N737 VanDerWaalsContact CE-OD1 3.27Å; K734-N737 WeakPolarHBondContact CE-OD1 3.49Å; K734-N737 HydrophobicContact CG-CB 4.2Å; K734-N737 PolarHBondContact O-N 2.74Å; K735-N737 PolarHBondContact O-N 2.88Å; K735-N737 VanDerWaalsContact O-N 3.16Å; N737-Y739 HydrophobicContact CB-CD2 4.1Å; N737-Y739 HydrophobicContact CB-CE2 4.29Å |
| 738 | G | 94.2 | Very high | 95.9 | Very high | 71 Ų | 71 | 49.6 Ų | 49.6 | 73% | 0.732 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94 | 5.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | K735 | K735-G738 PolarHBondContact O-N 3.45Š|
| 739 | Y | 95.7 | Very high | 95.5 | Very high | 41 Ų | 41 | 48.9 Ų | 48.9 | 16% | 0.161 | 28% | 0.279 | C | S | . | . | trans | -85.1 | 157.7 | 176.4 | -66.2 | -83.6 | 0 | 0 | 0 | 112.3 | H732 F733 K734 K735 N737 A741 L768 E771 | H732-Y739 PolarHBondContact CD2-OH 2.83Å; H732-Y739 PolarHBondContact NE2-OH 3.08Å; H732-Y739 VanDerWaalsContact NE2-OH 3.16Å; H732-Y739 WeakPolarHBondContact O-CD2 3.41Å; H732-Y739 VanDerWaalsContact O-CE2 3.27Å; H732-Y739 WeakPolarHBondContact O-CE2 3.34Å; F733-Y739 AromaticContact CD1-CD1 3.72Å; F733-Y739 HydrophobicContact CD1-CD1 3.72Å; F733-Y739 HydrophobicContact CD1-CD2 4.39Å; F733-Y739 AromaticContact CD1-CE1 3.4Å; F733-Y739 HydrophobicContact CD1-CE1 3.4Å; F733-Y739 VanDerWaalsContact CD1-CE1 3.4Å; F733-Y739 HydrophobicContact CD1-CE2 4.11Å; F733-Y739 HydrophobicContact CD1-CG 4.21Å; F733-Y739 AromaticContact CD1-CZ 3.61Å; F733-Y739 HydrophobicContact CE1-CD1 4.33Å; F733-Y739 AromaticContact CE1-CE1 3.58Å; F733-Y739 HydrophobicContact CE1-CE1 3.58Å; F733-Y739 AromaticContact CE1-CZ 3.73Å; F733-Y739 HydrophobicContact CG-CE1 4.49Å; K734-Y739 PolarHBondContact O-N 2.93Å; K735-Y739 WeakPolarHBondContact CA-O 3.13Å; N737-Y739 HydrophobicContact CB-CD2 4.1Å; N737-Y739 HydrophobicContact CB-CE2 4.29Å; Y739-A741 VanDerWaalsContact C-N 3.28Å; Y739-A741 PolarHBondContact O-N 3.25Å; Y739-L768 HydrophobicContact CD1-CD2 3.77Å; Y739-L768 HydrophobicContact CE1-CD2 3.86Å; Y739-E771 PolarHBondContact OH-OE1 2.91Å | ||
| 740 | P | 90.3 | Very high | 94.9 | Very high | 87 Ų | 87 | 50.4 Ų | 50.4 | 57% | 0.565 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -62.6 | -31.3 | -174.7 | -24.5 | 34.6 | 0 | 0 | 0 | 114.6 | K735 V759 | K735-P740 VanDerWaalsContact CE-O 3.3Å; K735-P740 WeakPolarHBondContact CE-O 3.4Å; P740-V759 HydrophobicContact CB-CG1 4.22Å; P740-V759 HydrophobicContact CG-CG1 4.12Å |
| 741 | A | 93.5 | Very high | 94.5 | Very high | 18 Ų | 18 | 50.2 Ų | 50.2 | 15% | 0.149 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -149.3 | 167.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y739 S743 | Y739-A741 VanDerWaalsContact C-N 3.28Å; Y739-A741 PolarHBondContact O-N 3.25Å; A741-S743 PolarHBondContact O-N 3.33Å |
| 742 | D | 96.3 | Very high | 94.4 | Very high | 103 Ų | 103 | 48.1 Ų | 48.1 | 55% | 0.551 | 27% | 0.272 | S | S | * | . | trans | -78.3 | 114.2 | 170.2 | -60.8 | -23.2 | 0 | 0 | 0 | 108.2 | K734 K735 | K734-D742 WeakPolarHBondContact CA-OD1 3.27Å; K734-D742 WeakPolarHBondContact CB-OD1 3.5Å; K735-D742 PolarHBondContact N-OD1 3.35Å | ||
| 743 | S | 97.3 | Very high | 94.4 | Very high | 10 Ų | 10 | 45.5 Ų | 45.5 | 7% | 0.07 | 26% | 0.259 | C | S | . | . | trans | -68.6 | 154.3 | 177.8 | 70.5 | 0 | 0 | 0 | 0 | 111.2 | V729 F733 A741 D756 | V729-S743 PolarHBondContact O-OG 2.93Å; F733-S743 WeakPolarHBondContact CB-OG 3.49Å; F733-S743 WeakPolarHBondContact O-CB 3.45Å; F733-S743 PolarHBondContact O-N 3.14Å; F733-S743 PolarHBondContact O-OG 3.16Å; A741-S743 PolarHBondContact O-N 3.33Å; S743-D756 CarbonylContact C-O 3.56Å; S743-D756 VanDerWaalsContact CA-O 3.22Å; S743-D756 WeakPolarHBondContact CA-O 3.41Å | ||
| 744 | K | 97.8 | Very high | 94.4 | Very high | 117 Ų | 117 | 45.4 Ų | 45.4 | 51% | 0.509 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 130.5 | 176.9 | -172.2 | 172.6 | -176.9 | 175.1 | 0 | 110.6 | I746 D756 | K744-I746 HydrophobicContact CB-CG2 4.49Å; K744-I746 HydrophobicContact CG-CG2 4.33Å; K744-I746 PolarHBondContact O-N 2.72Å; K744-D756 PolarHBondContact N-O 3.47Å; K744-D756 PolarHBondContact O-N 3.23Å |
| 745 | V | 97.5 | Very high | 94.5 | Very high | 5 Ų | 5 | 41.9 Ų | 41.9 | 3% | 0.03 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 105.2 | 167.6 | -179.6 | 0 | 0 | 0 | 0 | 108 | I582 K726 V729 E730 Y747 V753 M754 V755 | I582-V745 HydrophobicContact CD1-CG1 4.01Å; K726-V745 HydrophobicContact CB-CB 4.18Å; K726-V745 HydrophobicContact CB-CG1 4.43Å; K726-V745 HydrophobicContact CB-CG2 3.95Å; K726-V745 HydrophobicContact CD-CB 4.3Å; K726-V745 HydrophobicContact CG-CB 3.89Å; K726-V745 HydrophobicContact CG-CG2 3.94Å; V729-V745 HydrophobicContact CB-CG2 4.38Å; V729-V745 HydrophobicContact CG1-CG2 4.28Å; E730-V745 HydrophobicContact CG-CG2 4.33Å; E730-V745 PolarHBondContact OE1-N 3Å; V745-Y747 WeakPolarHBondContact CG1-O 3.35Å; V745-V753 HydrophobicContact CG1-CB 4.04Å; V745-V753 HydrophobicContact CG1-CG1 4.33Å; V745-M754 CarbonylContact C-O 3.41Å; V745-M754 WeakPolarHBondContact CA-O 3.24Å; V745-V755 HydrophobicContact CG2-CG2 4.27Å |
| 746 | I | 97.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | -20.4 | -175.3 | 61.7 | 163.1 | 0 | 0 | 0 | 112.6 | P584 A585 Y589 I593 K744 M754 D756 F795 L797 | P584-I746 CarbonylContact C-O 3.53Å; P584-I746 WeakPolarHBondContact CA-O 3.05Å; A585-I746 HydrophobicContact CB-CB 4.08Å; A585-I746 HydrophobicContact CB-CG2 4.33Å; A585-I746 PolarHBondContact N-O 3.28Å; Y589-I746 HydrophobicContact CD1-CD1 4.31Å; Y589-I746 HydrophobicContact CD2-CD1 4.13Å; Y589-I746 HydrophobicContact CE1-CD1 3.89Å; Y589-I746 HydrophobicContact CE1-CG2 4.07Å; Y589-I746 HydrophobicContact CE2-CD1 3.71Å; Y589-I746 HydrophobicContact CG-CD1 4.42Å; I593-I746 HydrophobicContact CD1-CD1 3.88Å; I593-I746 HydrophobicContact CG1-CD1 4.06Å; I593-I746 HydrophobicContact CG2-CD1 3.75Å; I593-I746 HydrophobicContact CG2-CG1 4.3Å; K744-I746 HydrophobicContact CB-CG2 4.49Å; K744-I746 HydrophobicContact CG-CG2 4.33Å; K744-I746 PolarHBondContact O-N 2.72Å; I746-M754 HydrophobicContact CG1-CB 4.1Å; I746-M754 WeakPolarHBondContact CG1-O 3.35Å; I746-M754 PolarHBondContact N-O 2.82Å; I746-D756 HydrophobicContact CG2-CB 3.77Å; I746-F795 HydrophobicContact CD1-CD1 4.14Å; I746-F795 HydrophobicContact CD1-CE1 4.04Å; I746-L797 HydrophobicContact CB-CD2 4.43Å; I746-L797 HydrophobicContact CD1-CD2 4.04Å; I746-L797 HydrophobicContact CG1-CD2 4.29Å |
| 747 | Y | 96.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.4 | 156.8 | 177.4 | -179.4 | -118.7 | 0 | 0 | 0 | 110.7 | V581 I582 P584 V745 D749 M754 L797 K801 Y803 | V581-Y747 HydrophobicContact CG1-CE2 3.79Å; I582-Y747 WeakPolarHBondContact O-CD2 3.06Å; P584-Y747 HydrophobicContact CB-CD2 3.7Å; P584-Y747 HydrophobicContact CB-CE2 4.33Å; P584-Y747 HydrophobicContact CB-CG 4.4Å; P584-Y747 HydrophobicContact CG-CD2 4.36Å; V745-Y747 WeakPolarHBondContact CG1-O 3.35Å; Y747-D749 HydrophobicContact CE1-CB 3.8Å; Y747-D749 WeakPolarHBondContact OH-CB 3.41Å; Y747-D749 PolarHBondContact OH-OD2 3.07Å; Y747-M754 HydrophobicContact CD1-CE 3.88Å; Y747-M754 HydrophobicContact CD1-CG 4.3Å; Y747-M754 HydrophobicContact CD1-SD 3.69Å; Y747-M754 HydrophobicContact CE1-CE 4.3Å; Y747-M754 HydrophobicContact CG-SD 4.43Å; Y747-M754 PolarHBondContact O-N 3.36Å; Y747-L797 HydrophobicContact CD1-CD1 4.44Å; Y747-L797 HydrophobicContact CG-CD1 4.18Å; Y747-K801 PolarHBondContact OH-N 3.3Å; Y747-Y803 HydrophobicContact CE1-CD1 4.3Å; Y747-Y803 HydrophobicContact CE1-CE1 4.03Å |
| 748 | G | 93.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 138 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111 | V581 I582 S752 | V581-G748 WeakPolarHBondContact CA-O 3.42Å; I582-G748 PolarHBondContact N-O 3.14Å; G748-S752 CarbonylContact C-O 3.52Å; G748-S752 WeakPolarHBondContact CA-O 3.36Å |
| 749 | D | 89.2 | Confident | 94.9 | Very high | 23 Ų | 23 | 27.2 Ų | 27.2 | 12% | 0.123 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 115.8 | -177.9 | -173.1 | 5.8 | 0 | 0 | 0 | 110.5 | Y747 D751 S752 K801 | Y747-D749 HydrophobicContact CE1-CB 3.8Å; Y747-D749 WeakPolarHBondContact OH-CB 3.41Å; Y747-D749 PolarHBondContact OH-OD2 3.07Å; D749-D751 PolarHBondContact O-N 3.42Å; D749-S752 PolarHBondContact N-O 3.02Å; D749-S752 PolarHBondContact O-N 3.37Å; D749-S752 PolarHBondContact O-OG 2.7Å; D749-K801 WeakPolarHBondContact OD1-CE 3.33Å; D749-K801 IonicContact OD1-NZ 2.69Å; D749-K801 VanDerWaalsContact OD2-CE 3.32Å; D749-K801 WeakPolarHBondContact OD2-CE 3.42Å; D749-K801 WeakPolarHBondContact OD2-CG 3.49Å |
| 750 | T | 84.5 | Confident | 94.8 | Very high | 32 Ų | 32 | 29.1 Ų | 29.1 | 20% | 0.196 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | -74.4 | 171.2 | -51.9 | 0 | 0 | 0 | 0 | 114.5 | A579 T580 L601 I722 | A579-T750 HydrophobicContact CB-CG2 3.83Å; T580-T750 PolarHBondContact O-N 3.36Å; L601-T750 WeakPolarHBondContact CD2-O 3.39Å; I722-T750 WeakPolarHBondContact CG1-O 3.42Å |
| 751 | D | 90.4 | Very high | 95 | Very high | 56 Ų | 56 | 27 Ų | 27 | 30% | 0.299 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -122.7 | -7.4 | -176.6 | 49.5 | 1.2 | 0 | 0 | 0 | 114.3 | D597 F598 L601 D749 | D597-D751 VanDerWaalsContact OD1-C 3.26Å; D597-D751 WeakPolarHBondContact OD1-CB 3.39Å; D597-D751 VanDerWaalsContact OD1-CG 3.26Å; F598-D751 HydrophobicContact CB-CB 4.28Å; F598-D751 VanDerWaalsContact CD2-O 3.29Å; F598-D751 WeakPolarHBondContact CD2-O 3.34Å; F598-D751 PolarHBondContact N-O 3Å; L601-D751 HydrophobicContact CB-CB 3.92Å; L601-D751 HydrophobicContact CD2-CB 3.75Å; L601-D751 HydrophobicContact CG-CB 4.43Å; D749-D751 PolarHBondContact O-N 3.42Å |
| 752 | S | 94.1 | Very high | 95.1 | Very high | 14 Ų | 14 | 26.8 Ų | 26.8 | 10% | 0.098 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 149.2 | -176.9 | 60.2 | 0 | 0 | 0 | 0 | 113.5 | L596 G748 D749 | L596-S752 CarbonylContact O-C 3.59Å; L596-S752 WeakPolarHBondContact O-CA 3.49Å; G748-S752 CarbonylContact C-O 3.52Å; G748-S752 WeakPolarHBondContact CA-O 3.36Å; D749-S752 PolarHBondContact N-O 3.02Å; D749-S752 PolarHBondContact O-N 3.37Å; D749-S752 PolarHBondContact O-OG 2.7Å |
| 753 | V | 96.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 143.7 | 169.2 | -63.8 | 0 | 0 | 0 | 0 | 110.4 | I582 T595 L596 I722 T725 V745 V755 | I582-V753 HydrophobicContact CD1-CG1 4.49Å; T595-V753 WeakPolarHBondContact CA-O 3.46Å; L596-V753 HydrophobicContact CB-CG2 3.88Å; L596-V753 HydrophobicContact CD1-CG2 4.31Å; L596-V753 HydrophobicContact CG-CG2 4.37Å; L596-V753 PolarHBondContact N-O 3.06Å; L596-V753 PolarHBondContact O-N 3.33Å; I722-V753 HydrophobicContact CD1-CG1 4.03Å; I722-V753 HydrophobicContact CG2-CG1 4.28Å; T725-V753 HydrophobicContact CG2-CB 4.49Å; T725-V753 HydrophobicContact CG2-CG1 4.08Å; T725-V753 HydrophobicContact CG2-CG2 3.67Å; V745-V753 HydrophobicContact CG1-CB 4.04Å; V745-V753 HydrophobicContact CG1-CG1 4.33Å; V753-V755 HydrophobicContact CG2-CG2 4.25Å |
| 754 | M | 97.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 119.2 | 177.1 | -61.7 | -176.8 | -177.5 | 0 | 0 | 109.4 | I593 T594 T595 V745 I746 Y747 Y792 F795 Y803 | I593-M754 HydrophobicContact CG2-CB 3.97Å; T594-M754 CarbonylContact O-C 3.54Å; T594-M754 WeakPolarHBondContact O-CA 3.41Å; T595-M754 HydrophobicContact CG2-CG 4.44Å; V745-M754 CarbonylContact C-O 3.41Å; V745-M754 WeakPolarHBondContact CA-O 3.24Å; I746-M754 HydrophobicContact CG1-CB 4.1Å; I746-M754 WeakPolarHBondContact CG1-O 3.35Å; I746-M754 PolarHBondContact N-O 2.82Å; Y747-M754 HydrophobicContact CD1-CE 3.88Å; Y747-M754 HydrophobicContact CD1-CG 4.3Å; Y747-M754 HydrophobicContact CD1-SD 3.69Å; Y747-M754 HydrophobicContact CE1-CE 4.3Å; Y747-M754 HydrophobicContact CG-SD 4.43Å; Y747-M754 PolarHBondContact O-N 3.36Å; M754-Y792 HydrophobicContact CE-CE2 4.2Å; M754-F795 HydrophobicContact CE-CZ 4.13Å; M754-F795 HydrophobicContact SD-CE1 3.76Å; M754-F795 HydrophobicContact SD-CE2 4.19Å; M754-F795 HydrophobicContact SD-CZ 3.31Å; M754-F795 WeakPolarHBondContact SD-CZ 3.45Å; M754-Y803 HydrophobicContact CE-CD1 4.18Å; M754-Y803 HydrophobicContact CE-CD2 4.28Å; M754-Y803 HydrophobicContact CE-CE1 3.71Å; M754-Y803 HydrophobicContact CE-CE2 3.78Å; M754-Y803 HydrophobicContact CE-CG 4.44Å; M754-Y803 VanDerWaalsContact CE-CZ 3.45Å |
| 755 | V | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 126 | -170.4 | -168 | 0 | 0 | 0 | 0 | 110 | T594 L596 V729 V745 V753 F757 | T594-V755 PolarHBondContact N-O 3.13Å; T594-V755 PolarHBondContact O-N 3.44Å; L596-V755 HydrophobicContact CD1-CG2 4.19Å; L596-V755 HydrophobicContact CG-CG2 4.46Å; V729-V755 HydrophobicContact CG1-CG1 3.63Å; V729-V755 HydrophobicContact CG1-CG2 4.21Å; V745-V755 HydrophobicContact CG2-CG2 4.27Å; V753-V755 HydrophobicContact CG2-CG2 4.25Å; V755-F757 HydrophobicContact CB-CD2 4.37Å; V755-F757 HydrophobicContact CB-CE2 3.97Å; V755-F757 HydrophobicContact CB-CZ 4.16Å; V755-F757 HydrophobicContact CG1-CD1 4.06Å; V755-F757 HydrophobicContact CG1-CD2 4.11Å; V755-F757 HydrophobicContact CG1-CE1 3.83Å; V755-F757 HydrophobicContact CG1-CE2 3.88Å; V755-F757 HydrophobicContact CG1-CG 4.19Å; V755-F757 HydrophobicContact CG1-CZ 3.73Å |
| 756 | D | 97.8 | Very high | 95.1 | Very high | 17 Ų | 17 | 23.7 Ų | 23.7 | 9% | 0.091 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 104 | 165 | 177 | 5.5 | 0 | 0 | 0 | 108.2 | K591 I593 S743 K744 I746 G758 | K591-D756 VanDerWaalsContact CE-CG 3.45Å; K591-D756 WeakPolarHBondContact CE-OD1 3.36Å; K591-D756 WeakPolarHBondContact CE-OD2 3.2Å; K591-D756 IonicContact NZ-OD1 3.79Å; K591-D756 PolarHBondContact NZ-OD1 3.49Å; K591-D756 IonicContact NZ-OD2 3.88Å; K591-D756 PolarHBondContact NZ-OD2 2.97Å; I593-D756 HydrophobicContact CD1-CB 3.79Å; S743-D756 CarbonylContact C-O 3.56Å; S743-D756 VanDerWaalsContact CA-O 3.22Å; S743-D756 WeakPolarHBondContact CA-O 3.41Å; K744-D756 PolarHBondContact N-O 3.47Å; K744-D756 PolarHBondContact O-N 3.23Å; I746-D756 HydrophobicContact CG2-CB 3.77Å; D756-G758 WeakPolarHBondContact OD1-CA 3.34Å; D756-G758 PolarHBondContact OD1-N 3.47Å |
| 757 | F | 97.8 | Very high | 95.1 | Very high | 5 Ų | 5 | 28 Ų | 28 | 2% | 0.022 | 18% | 0.175 | C | C | . | . | trans | -81.6 | -1.6 | 175.7 | -73 | -71.2 | 0 | 0 | 0 | 113.3 | T594 V729 F733 V755 V759 L768 A772 | T594-F757 HydrophobicContact CG2-CE2 3.95Å; V729-F757 HydrophobicContact CG1-CE1 4.48Å; F733-F757 HydrophobicContact CB-CD1 4.14Å; F733-F757 HydrophobicContact CB-CE1 3.99Å; F733-F757 HydrophobicContact CD1-CD1 4.21Å; F733-F757 AromaticContact CD1-CE1 3.75Å; F733-F757 HydrophobicContact CD1-CE1 3.75Å; F733-F757 HydrophobicContact CD2-CE1 4.11Å; F733-F757 HydrophobicContact CE1-CE1 4.27Å; F733-F757 HydrophobicContact CG-CD1 4.23Å; F733-F757 AromaticContact CG-CE1 3.68Å; F733-F757 HydrophobicContact CG-CE1 3.68Å; V755-F757 HydrophobicContact CB-CD2 4.37Å; V755-F757 HydrophobicContact CB-CE2 3.97Å; V755-F757 HydrophobicContact CB-CZ 4.16Å; V755-F757 HydrophobicContact CG1-CD1 4.06Å; V755-F757 HydrophobicContact CG1-CD2 4.11Å; V755-F757 HydrophobicContact CG1-CE1 3.83Å; V755-F757 HydrophobicContact CG1-CE2 3.88Å; V755-F757 HydrophobicContact CG1-CG 4.19Å; V755-F757 HydrophobicContact CG1-CZ 3.73Å; F757-V759 HydrophobicContact CB-CG2 4.29Å; F757-V759 PolarHBondContact O-N 2.83Å; F757-L768 HydrophobicContact CB-CD1 3.78Å; F757-L768 HydrophobicContact CD1-CB 4.12Å; F757-L768 HydrophobicContact CD1-CD1 4.23Å; F757-L768 HydrophobicContact CD2-CB 3.96Å; F757-L768 HydrophobicContact CE1-CB 4.21Å; F757-L768 HydrophobicContact CE2-CB 4.04Å; F757-L768 HydrophobicContact CG-CB 4Å; F757-L768 HydrophobicContact CG-CD1 3.97Å; F757-L768 HydrophobicContact CZ-CB 4.17Å; F757-A772 HydrophobicContact CE1-CB 4.41Å; F757-A772 HydrophobicContact CZ-CB 3.81Å | ||
| 758 | G | 95.2 | Very high | 95.1 | Very high | 35 Ų | 35 | 29 Ų | 29 | 36% | 0.361 | 18% | 0.18 | S | C | . | . | S | Bend | trans | 71.8 | 9.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | D756 | D756-G758 WeakPolarHBondContact OD1-CA 3.34Å; D756-G758 PolarHBondContact OD1-N 3.47Å |
| 759 | V | 95.7 | Very high | 95.3 | Very high | 9 Ų | 9 | 29 Ų | 29 | 6% | 0.055 | 18% | 0.18 | C | C | . | . | trans | -90 | 153.7 | 174.6 | -61.2 | 0 | 0 | 0 | 0 | 111.4 | P592 P740 F757 E764 A765 L768 | P592-V759 WeakPolarHBondContact CD-O 3.11Å; P740-V759 HydrophobicContact CB-CG1 4.22Å; P740-V759 HydrophobicContact CG-CG1 4.12Å; F757-V759 HydrophobicContact CB-CG2 4.29Å; F757-V759 PolarHBondContact O-N 2.83Å; V759-E764 HydrophobicContact CB-CB 4.45Å; V759-E764 HydrophobicContact CG2-CB 4.32Å; V759-A765 HydrophobicContact CG2-CB 3.75Å; V759-L768 HydrophobicContact CG1-CD1 3.87Å; V759-L768 HydrophobicContact CG2-CD1 4.38Å | ||
| 760 | A | 94.1 | Very high | 95.7 | Very high | 80 Ų | 80 | 32.9 Ų | 32.9 | 66% | 0.661 | 20% | 0.196 | S | C | * | . | S | Bend | trans | -96.9 | -23.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | P592 | P592-A760 WeakPolarHBondContact CD-O 3.47Å; P592-A760 WeakPolarHBondContact CG-O 3.26Å |
| 761 | S | 94.9 | Very high | 96.4 | Very high | 43 Ų | 43 | 35.2 Ų | 35.2 | 30% | 0.301 | 20% | 0.204 | S | C | . | . | trans | -84.5 | 132.2 | -177.4 | 177 | 0 | 0 | 0 | 0 | 111.1 | P763 A765 | S761-P763 WeakPolarHBondContact OG-CD 3.47Å; S761-A765 PolarHBondContact O-N 2.76Å; S761-A765 VanDerWaalsContact O-N 3.11Å | ||
| 762 | L | 95.5 | Very high | 96.7 | Very high | 13 Ų | 13 | 32.5 Ų | 32.5 | 7% | 0.068 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -70.4 | -45.5 | -179.9 | -172.5 | 162.1 | 0 | 0 | 0 | 112.3 | P592 E764 A765 M766 V791 F793 F808 P811 | P592-L762 HydrophobicContact CG-CB 4.26Å; L762-E764 VanDerWaalsContact C-N 3.33Å; L762-E764 PolarHBondContact O-N 2.85Å; L762-A765 PolarHBondContact O-N 3Å; L762-M766 HydrophobicContact CD2-CE 3.42Å; L762-M766 VanDerWaalsContact CD2-CE 3.42Å; L762-M766 HydrophobicContact CD2-CG 3.99Å; L762-M766 HydrophobicContact CD2-SD 3.61Å; L762-M766 HydrophobicContact CG-CE 4.49Å; L762-M766 WeakPolarHBondContact O-CG 3.19Å; L762-M766 PolarHBondContact O-N 3.28Å; L762-V791 HydrophobicContact CG-CG1 4.34Å; L762-F793 HydrophobicContact CD1-CB 4.23Å; L762-F793 HydrophobicContact CD1-CD1 4.07Å; L762-F808 HydrophobicContact CD1-CB 4.1Å; L762-F808 HydrophobicContact CD1-CD1 3.54Å; L762-F808 HydrophobicContact CD1-CD2 3.77Å; L762-F808 HydrophobicContact CD1-CE1 3.7Å; L762-F808 HydrophobicContact CD1-CE2 3.95Å; L762-F808 HydrophobicContact CD1-CG 3.56Å; L762-F808 HydrophobicContact CD1-CZ 3.9Å; L762-P811 VanDerWaalsContact CD2-CA 3.41Å; L762-P811 HydrophobicContact CD2-CB 3.65Å |
| 763 | P | 96.6 | Very high | 96.9 | Very high | 61 Ų | 61 | 32.1 Ų | 32.1 | 40% | 0.396 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -52.8 | -46 | 170.5 | -28.3 | 33.1 | 0 | 0 | 0 | 113.8 | S761 A765 M766 D767 P811 | S761-P763 WeakPolarHBondContact OG-CD 3.47Å; P763-A765 PolarHBondContact O-N 2.97Å; P763-M766 WeakPolarHBondContact O-CB 3.36Å; P763-M766 PolarHBondContact O-N 3.28Å; P763-D767 PolarHBondContact O-N 2.87Å; P763-P811 HydrophobicContact CG-CB 3.85Å |
| 764 | E | 96.4 | Very high | 96.9 | Very high | 103 Ų | 103 | 40.4 Ų | 40.4 | 48% | 0.481 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.6 | -43.4 | 178.4 | -69.6 | 178 | -178.8 | 0 | 0 | 111.6 | V759 L762 M766 D767 L768 | V759-E764 HydrophobicContact CB-CB 4.45Å; V759-E764 HydrophobicContact CG2-CB 4.32Å; L762-E764 VanDerWaalsContact C-N 3.33Å; L762-E764 PolarHBondContact O-N 2.85Å; E764-M766 VanDerWaalsContact C-N 3.29Å; E764-M766 PolarHBondContact O-N 2.98Å; E764-D767 PolarHBondContact O-N 3.4Å; E764-L768 WeakPolarHBondContact O-CB 3.4Å; E764-L768 WeakPolarHBondContact O-CG 3.38Å; E764-L768 PolarHBondContact O-N 3.35Å |
| 765 | A | 97.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.2 | -35.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | P592 T594 V759 S761 L762 P763 G769 | P592-A765 HydrophobicContact CB-CB 3.65Å; P592-A765 HydrophobicContact CG-CB 4.41Å; T594-A765 PolarHBondContact OG1-O 2.75Å; V759-A765 HydrophobicContact CG2-CB 3.75Å; S761-A765 PolarHBondContact O-N 2.76Å; S761-A765 VanDerWaalsContact O-N 3.11Å; L762-A765 PolarHBondContact O-N 3Å; P763-A765 PolarHBondContact O-N 2.97Å; A765-G769 PolarHBondContact O-N 3Å |
| 766 | M | 97.6 | Very high | 96.9 | Very high | 7 Ų | 7 | 43 Ų | 43 | 3% | 0.034 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.7 | -43.1 | 175.1 | -72.1 | -172.9 | 163.2 | 0 | 0 | 111.9 | L762 P763 E764 G769 K770 F788 V791 F808 P811 | L762-M766 HydrophobicContact CD2-CE 3.42Å; L762-M766 VanDerWaalsContact CD2-CE 3.42Å; L762-M766 HydrophobicContact CD2-CG 3.99Å; L762-M766 HydrophobicContact CD2-SD 3.61Å; L762-M766 HydrophobicContact CG-CE 4.49Å; L762-M766 WeakPolarHBondContact O-CG 3.19Å; L762-M766 PolarHBondContact O-N 3.28Å; P763-M766 WeakPolarHBondContact O-CB 3.36Å; P763-M766 PolarHBondContact O-N 3.28Å; E764-M766 VanDerWaalsContact C-N 3.29Å; E764-M766 PolarHBondContact O-N 2.98Å; M766-G769 WeakPolarHBondContact O-CA 3.48Å; M766-G769 PolarHBondContact O-N 3.07Å; M766-K770 WeakPolarHBondContact O-CG 3.34Å; M766-K770 PolarHBondContact O-N 2.8Å; M766-F788 HydrophobicContact CB-CE2 4.42Å; M766-F788 HydrophobicContact CB-CZ 4.1Å; M766-F788 HydrophobicContact CE-CZ 4.29Å; M766-F788 HydrophobicContact CG-CE2 4.26Å; M766-F788 HydrophobicContact CG-CZ 3.72Å; M766-F788 HydrophobicContact SD-CZ 4.4Å; M766-V791 HydrophobicContact CE-CB 4.28Å; M766-V791 HydrophobicContact CE-CG2 4.15Å; M766-V791 HydrophobicContact CG-CG2 3.56Å; M766-F808 HydrophobicContact CE-CB 3.74Å; M766-F808 WeakPolarHBondContact CE-O 3.37Å; M766-P811 HydrophobicContact SD-CB 4.26Å |
| 767 | D | 97.6 | Very high | 96.8 | Very high | 90 Ų | 90 | 43.3 Ų | 43.3 | 48% | 0.481 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -69.7 | -42.9 | -179.1 | -70.4 | -22.1 | 0 | 0 | 0 | 111.9 | P763 E764 G769 K770 E771 | P763-D767 PolarHBondContact O-N 2.87Å; E764-D767 PolarHBondContact O-N 3.4Å; D767-G769 PolarHBondContact O-N 3.38Å; D767-K770 PolarHBondContact O-N 2.92Å; D767-K770 IonicContact OD1-NZ 3.69Å; D767-K770 PolarHBondContact OD1-NZ 3.45Å; D767-E771 WeakPolarHBondContact O-CB 3.44Å; D767-E771 PolarHBondContact O-N 3.48Å |
| 768 | L | 97.6 | Very high | 96.7 | Very high | 21 Ų | 21 | 46.3 Ų | 46.3 | 11% | 0.11 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.2 | -36.1 | 169.4 | -69.7 | 173.4 | 0 | 0 | 0 | 111.7 | F733 Y739 F757 V759 E764 E771 A772 | F733-L768 HydrophobicContact CD1-CD2 4.24Å; F733-L768 HydrophobicContact CE1-CD2 4.27Å; Y739-L768 HydrophobicContact CD1-CD2 3.77Å; Y739-L768 HydrophobicContact CE1-CD2 3.86Å; F757-L768 HydrophobicContact CB-CD1 3.78Å; F757-L768 HydrophobicContact CD1-CB 4.12Å; F757-L768 HydrophobicContact CD1-CD1 4.23Å; F757-L768 HydrophobicContact CD2-CB 3.96Å; F757-L768 HydrophobicContact CE1-CB 4.21Å; F757-L768 HydrophobicContact CE2-CB 4.04Å; F757-L768 HydrophobicContact CG-CB 4Å; F757-L768 HydrophobicContact CG-CD1 3.97Å; F757-L768 HydrophobicContact CZ-CB 4.17Å; V759-L768 HydrophobicContact CG1-CD1 3.87Å; V759-L768 HydrophobicContact CG2-CD1 4.38Å; E764-L768 WeakPolarHBondContact O-CB 3.4Å; E764-L768 WeakPolarHBondContact O-CG 3.38Å; E764-L768 PolarHBondContact O-N 3.35Å; L768-E771 PolarHBondContact O-N 2.93Å; L768-A772 VanDerWaalsContact O-CB 3.26Å; L768-A772 WeakPolarHBondContact O-CB 3.43Å; L768-A772 PolarHBondContact O-N 3.21Å |
| 769 | G | 97.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.7 | -48 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | L596 A765 M766 D767 E771 A772 A773 | L596-G769 WeakPolarHBondContact CD2-O 3.3Å; A765-G769 PolarHBondContact O-N 3Å; M766-G769 WeakPolarHBondContact O-CA 3.48Å; M766-G769 PolarHBondContact O-N 3.07Å; D767-G769 PolarHBondContact O-N 3.38Å; G769-E771 VanDerWaalsContact C-N 3.33Å; G769-A772 PolarHBondContact O-N 3.19Å; G769-A773 WeakPolarHBondContact O-CB 3.3Å; G769-A773 PolarHBondContact O-N 3.31Å |
| 770 | K | 97.9 | Very high | 96.8 | Very high | 105 Ų | 105 | 48.2 Ų | 48.2 | 46% | 0.457 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.6 | -40.2 | 176.8 | -65.5 | 166.8 | -161.8 | 154.8 | 0 | 111.3 | M766 D767 K774 F788 | M766-K770 WeakPolarHBondContact O-CG 3.34Å; M766-K770 PolarHBondContact O-N 2.8Å; D767-K770 PolarHBondContact O-N 2.92Å; D767-K770 IonicContact OD1-NZ 3.69Å; D767-K770 PolarHBondContact OD1-NZ 3.45Å; K770-K774 WeakPolarHBondContact O-CB 3.37Å; K770-K774 PolarHBondContact O-N 3.03Å; K770-F788 HydrophobicContact CG-CB 4.11Å; K770-F788 HydrophobicContact CG-CD1 4.22Å; K770-F788 HydrophobicContact CG-CG 4.13Å |
| 771 | E | 97.8 | Very high | 96.8 | Very high | 80 Ų | 80 | 47.3 Ų | 47.3 | 37% | 0.374 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.2 | -49.3 | 175.8 | -171.6 | -177.2 | 157.3 | 0 | 0 | 111.1 | F733 Y739 D767 L768 G769 A773 K774 F775 | F733-E771 HydrophobicContact CE1-CB 4.41Å; F733-E771 HydrophobicContact CE1-CG 4.2Å; F733-E771 HydrophobicContact CZ-CB 4.44Å; F733-E771 HydrophobicContact CZ-CG 4.18Å; Y739-E771 PolarHBondContact OH-OE1 2.91Å; D767-E771 WeakPolarHBondContact O-CB 3.44Å; D767-E771 PolarHBondContact O-N 3.48Å; L768-E771 PolarHBondContact O-N 2.93Å; G769-E771 VanDerWaalsContact C-N 3.33Å; E771-A773 PolarHBondContact O-N 3.37Å; E771-K774 PolarHBondContact O-N 2.84Å; E771-F775 WeakPolarHBondContact O-CB 3.44Å; E771-F775 PolarHBondContact O-N 3.27Å |
| 772 | A | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.7 | -44.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | L596 F733 F757 L768 G769 K774 F775 V776 | L596-A772 HydrophobicContact CD1-CB 3.84Å; F733-A772 HydrophobicContact CD2-CB 4.42Å; F733-A772 HydrophobicContact CE1-CB 4.4Å; F733-A772 HydrophobicContact CE2-CB 3.57Å; F733-A772 VanDerWaalsContact CZ-CA 3.44Å; F733-A772 HydrophobicContact CZ-CB 3.57Å; F757-A772 HydrophobicContact CE1-CB 4.41Å; F757-A772 HydrophobicContact CZ-CB 3.81Å; L768-A772 VanDerWaalsContact O-CB 3.26Å; L768-A772 WeakPolarHBondContact O-CB 3.43Å; L768-A772 PolarHBondContact O-N 3.21Å; G769-A772 PolarHBondContact O-N 3.19Å; A772-K774 VanDerWaalsContact C-N 3.33Å; A772-K774 PolarHBondContact O-N 3.4Å; A772-F775 PolarHBondContact O-N 3.42Å; A772-V776 VanDerWaalsContact O-CB 3.31Å; A772-V776 WeakPolarHBondContact O-CB 3.49Å; A772-V776 VanDerWaalsContact O-CG2 3.26Å; A772-V776 WeakPolarHBondContact O-CG2 3.49Å; A772-V776 PolarHBondContact O-N 3.17Å |
| 773 | A | 97.5 | Very high | 96.7 | Very high | 6 Ų | 6 | 54.3 Ų | 54.3 | 5% | 0.05 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -55.9 | -47.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L596 G769 E771 S777 L786 F788 | L596-A773 HydrophobicContact CD2-CB 4.33Å; G769-A773 WeakPolarHBondContact O-CB 3.3Å; G769-A773 PolarHBondContact O-N 3.31Å; E771-A773 PolarHBondContact O-N 3.37Å; A773-S777 VanDerWaalsContact O-CB 3.26Å; A773-S777 WeakPolarHBondContact O-CB 3.5Å; A773-S777 PolarHBondContact O-N 2.93Å; A773-S777 PolarHBondContact O-OG 3.46Å; A773-L786 WeakPolarHBondContact CB-O 3.29Å; A773-F788 HydrophobicContact CB-CB 4.42Å |
| 774 | K | 97.7 | Very high | 96.6 | Very high | 174 Ų | 174 | 51.5 Ų | 51.5 | 76% | 0.757 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -66.3 | -46.8 | 178 | -175.1 | -178.9 | 178.2 | -176.2 | 0 | 112.3 | K770 E771 A772 G778 | K770-K774 WeakPolarHBondContact O-CB 3.37Å; K770-K774 PolarHBondContact O-N 3.03Å; E771-K774 PolarHBondContact O-N 2.84Å; A772-K774 VanDerWaalsContact C-N 3.33Å; A772-K774 PolarHBondContact O-N 3.4Å; K774-G778 PolarHBondContact O-N 3.4Å |
| 775 | F | 97.4 | Very high | 96.6 | Very high | 53 Ų | 53 | 53.2 Ų | 53.2 | 23% | 0.232 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.8 | -50.9 | -179.7 | 169.5 | -105.4 | 0 | 0 | 0 | 111.7 | E728 H732 F733 E771 A772 G778 | E728-F775 HydrophobicContact CB-CE1 4.16Å; H732-F775 HydrophobicContact CB-CD1 4.26Å; H732-F775 HydrophobicContact CB-CE1 3.57Å; H732-F775 HydrophobicContact CB-CZ 3.83Å; H732-F775 AromaticContact CE1-CE2 3.8Å; H732-F775 AromaticContact CG-CE1 3.67Å; H732-F775 AromaticContact CG-CZ 3.61Å; H732-F775 AromaticContact ND1-CE2 3.72Å; H732-F775 AromaticContact ND1-CZ 3.57Å; F733-F775 HydrophobicContact CE2-CD1 4.27Å; E771-F775 WeakPolarHBondContact O-CB 3.44Å; E771-F775 PolarHBondContact O-N 3.27Å; A772-F775 PolarHBondContact O-N 3.42Å; F775-G778 PolarHBondContact O-N 3.11Å |
| 776 | V | 96.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -69.7 | -35.6 | -177.6 | 175.5 | 0 | 0 | 0 | 0 | 111.4 | T725 E728 V729 A772 G778 K779 F780 L786 | T725-V776 HydrophobicContact CG2-CG1 4.08Å; E728-V776 HydrophobicContact CB-CG2 4.39Å; V729-V776 HydrophobicContact CG2-CG2 3.8Å; A772-V776 VanDerWaalsContact O-CB 3.31Å; A772-V776 WeakPolarHBondContact O-CB 3.49Å; A772-V776 VanDerWaalsContact O-CG2 3.26Å; A772-V776 WeakPolarHBondContact O-CG2 3.49Å; A772-V776 PolarHBondContact O-N 3.17Å; V776-G778 PolarHBondContact O-N 3.29Å; V776-K779 VanDerWaalsContact O-CB 3.27Å; V776-K779 WeakPolarHBondContact O-CB 3.21Å; V776-K779 PolarHBondContact O-N 3.11Å; V776-F780 HydrophobicContact CG1-CD2 4.26Å; V776-F780 HydrophobicContact CG1-CE2 3.59Å; V776-F780 WeakPolarHBondContact O-CD2 3.4Å; V776-L786 HydrophobicContact CB-CD2 3.98Å; V776-L786 HydrophobicContact CG1-CD2 3.89Å |
| 777 | S | 96.9 | Very high | 96.4 | Very high | 24 Ų | 24 | 57.1 Ų | 57.1 | 17% | 0.168 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -55.4 | -39.2 | 174.6 | -65.9 | 0 | 0 | 0 | 0 | 111.9 | A773 K779 F780 L786 | A773-S777 VanDerWaalsContact O-CB 3.26Å; A773-S777 WeakPolarHBondContact O-CB 3.5Å; A773-S777 PolarHBondContact O-N 2.93Å; A773-S777 PolarHBondContact O-OG 3.46Å; S777-K779 PolarHBondContact O-N 3.15Å; S777-F780 PolarHBondContact O-N 2.89Å; S777-L786 PolarHBondContact OG-N 3.43Å; S777-L786 PolarHBondContact OG-O 2.89Å |
| 778 | G | 96 | Very high | 96.4 | Very high | 69 Ų | 69 | 55 Ų | 55 | 71% | 0.711 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -4.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | K774 F775 V776 | K774-G778 PolarHBondContact O-N 3.4Å; F775-G778 PolarHBondContact O-N 3.11Å; V776-G778 PolarHBondContact O-N 3.29Å |
| 779 | K | 95.8 | Very high | 96.2 | Very high | 67 Ų | 67 | 57 Ų | 57 | 29% | 0.291 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -10.6 | 176.9 | -55.4 | -65.9 | -179.2 | 138.6 | 0 | 113.3 | R724 E728 V776 S777 | R724-K779 PolarHBondContact NH1-O 2.99Å; E728-K779 HydrophobicContact CG-CG 4.19Å; E728-K779 IonicContact OE1-NZ 2.73Å; E728-K779 WeakPolarHBondContact OE2-CE 3.44Å; E728-K779 IonicContact OE2-NZ 3.67Å; E728-K779 PolarHBondContact OE2-NZ 2.69Å; V776-K779 VanDerWaalsContact O-CB 3.27Å; V776-K779 WeakPolarHBondContact O-CB 3.21Å; V776-K779 PolarHBondContact O-N 3.11Å; S777-K779 PolarHBondContact O-N 3.15Å |
| 780 | F | 95.9 | Very high | 96.2 | Very high | 17 Ų | 17 | 57.8 Ų | 57.8 | 8% | 0.075 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -115.7 | 152.4 | -178.1 | -60.8 | -66.8 | 0 | 0 | 0 | 111 | F598 M721 R724 V776 S777 I784 | F598-F780 HydrophobicContact CE1-CD2 4Å; F598-F780 AromaticContact CE1-CE2 3.95Å; F598-F780 HydrophobicContact CE1-CE2 3.95Å; F598-F780 HydrophobicContact CZ-CD2 4.22Å; F598-F780 AromaticContact CZ-CE2 3.7Å; F598-F780 HydrophobicContact CZ-CE2 3.7Å; F598-F780 HydrophobicContact CZ-CZ 4.12Å; M721-F780 HydrophobicContact CB-CE1 3.93Å; M721-F780 HydrophobicContact CB-CZ 4.08Å; M721-F780 HydrophobicContact CG-CD1 3.98Å; M721-F780 HydrophobicContact CG-CE1 3.63Å; M721-F780 HydrophobicContact CG-CZ 4.27Å; R724-F780 HydrophobicContact CB-CE1 4.26Å; R724-F780 HydrophobicContact CB-CZ 4.13Å; R724-F780 HydrophobicContact CG-CE1 4.29Å; R724-F780 HydrophobicContact CG-CZ 4.2Å; V776-F780 HydrophobicContact CG1-CD2 4.26Å; V776-F780 HydrophobicContact CG1-CE2 3.59Å; V776-F780 WeakPolarHBondContact O-CD2 3.4Å; S777-F780 PolarHBondContact O-N 2.89Å; F780-I784 HydrophobicContact CB-CB 4.05Å; F780-I784 HydrophobicContact CB-CG2 3.71Å; F780-I784 HydrophobicContact CD2-CG2 4.4Å; F780-I784 HydrophobicContact CG-CG2 4.11Å |
| 781 | P | 94.4 | Very high | 96.2 | Very high | 61 Ų | 61 | 52.8 Ų | 52.8 | 40% | 0.396 | 27% | 0.273 | S | S | . | . | trans | -70 | 142.8 | 176.1 | 28.1 | -33.5 | 0 | 0 | 0 | 111.6 | A608 I784 | A608-P781 HydrophobicContact CB-CB 4.49Å; A608-P781 HydrophobicContact CB-CG 4.11Å; P781-I784 HydrophobicContact CG-CD1 4.22Å; P781-I784 VanDerWaalsContact O-CB 3.24Å; P781-I784 WeakPolarHBondContact O-CB 3.37Å; P781-I784 PolarHBondContact O-N 2.65Å; P781-I784 VanDerWaalsContact O-N 3.08Å | ||
| 782 | D | 93.5 | Very high | 96.2 | Very high | 144 Ų | 144 | 49 Ų | 49 | 77% | 0.77 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 146.2 | 172.3 | -72.8 | -35.1 | 0 | 0 | 0 | 111.6 | ||
| 783 | P | 94.3 | Very high | 96.2 | Very high | 58 Ų | 58 | 51 Ų | 51 | 38% | 0.377 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -92.6 | 20.2 | 2.6 | 38 | -36.2 | 0 | 0 | 0 | 113.6 | M607 R785 | M607-P783 HydrophobicContact CB-CG 4.34Å; M607-P783 HydrophobicContact CE-CG 3.57Å; M607-P783 HydrophobicContact SD-CG 4.5Å; P783-R785 PolarHBondContact O-N 2.98Å |
| 784 | I | 95.7 | Very high | 96.1 | Very high | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | trans | -65.6 | 122.9 | 179.8 | -63.5 | 170.6 | 0 | 0 | 0 | 109 | F598 I605 A608 M721 F780 P781 | F598-I784 HydrophobicContact CD1-CG2 3.92Å; F598-I784 HydrophobicContact CE1-CG2 3.76Å; I605-I784 HydrophobicContact CG1-CD1 4.28Å; A608-I784 HydrophobicContact CB-CD1 3.7Å; A608-I784 HydrophobicContact CB-CG1 3.93Å; M721-I784 HydrophobicContact CE-CB 4.48Å; M721-I784 HydrophobicContact CE-CD1 4.11Å; M721-I784 HydrophobicContact CE-CG1 4.49Å; M721-I784 HydrophobicContact CE-CG2 3.27Å; M721-I784 HydrophobicContact SD-CD1 4.03Å; F780-I784 HydrophobicContact CB-CB 4.05Å; F780-I784 HydrophobicContact CB-CG2 3.71Å; F780-I784 HydrophobicContact CD2-CG2 4.4Å; F780-I784 HydrophobicContact CG-CG2 4.11Å; P781-I784 HydrophobicContact CG-CD1 4.22Å; P781-I784 VanDerWaalsContact O-CB 3.24Å; P781-I784 WeakPolarHBondContact O-CB 3.37Å; P781-I784 PolarHBondContact O-N 2.65Å; P781-I784 VanDerWaalsContact O-N 3.08Å | ||
| 785 | R | 94.7 | Very high | 96.1 | Very high | 140 Ų | 140 | 42.4 Ų | 42.4 | 53% | 0.528 | 23% | 0.225 | S | C | . | . | trans | -143.1 | 143.7 | 177.5 | 67.4 | -169.6 | -165.3 | -163.3 | 4.6 | 111.5 | A599 P783 E787 | A599-R785 HydrophobicContact CB-CG 3.81Å; A599-R785 PolarHBondContact N-O 3.48Å; P783-R785 PolarHBondContact O-N 2.98Å; R785-E787 HydrophobicContact CG-CG 4.47Å; R785-E787 IonicContact CZ-OE1 2.86Å; R785-E787 IonicContact NE-OE1 2.77Å; R785-E787 PolarHBondContact NE-OE1 3.42Å; R785-E787 IonicContact NH2-OE1 3.27Å; R785-E787 PolarHBondContact NH2-OE1 3.29Å | ||
| 786 | L | 96.1 | Very high | 96 | Very high | 7 Ų | 7 | 39.9 Ų | 39.9 | 4% | 0.037 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 132.6 | 171.8 | -164.2 | 70.3 | 0 | 0 | 0 | 107.9 | L596 F598 T725 A773 V776 S777 | L596-L786 HydrophobicContact CB-CD1 4.05Å; L596-L786 HydrophobicContact CB-CD2 3.7Å; L596-L786 HydrophobicContact CB-CG 3.8Å; L596-L786 HydrophobicContact CD1-CD2 3.7Å; L596-L786 HydrophobicContact CG-CD2 4.31Å; F598-L786 HydrophobicContact CD1-CB 4.4Å; F598-L786 HydrophobicContact CD1-CD1 3.98Å; F598-L786 HydrophobicContact CD2-CD1 3.92Å; F598-L786 HydrophobicContact CE1-CB 4.31Å; F598-L786 HydrophobicContact CE1-CD1 4.08Å; F598-L786 HydrophobicContact CE2-CD1 4.03Å; F598-L786 HydrophobicContact CG-CD1 3.89Å; F598-L786 HydrophobicContact CZ-CD1 4.1Å; T725-L786 HydrophobicContact CG2-CD2 3.94Å; A773-L786 WeakPolarHBondContact CB-O 3.29Å; V776-L786 HydrophobicContact CB-CD2 3.98Å; V776-L786 HydrophobicContact CG1-CD2 3.89Å; S777-L786 PolarHBondContact OG-N 3.43Å; S777-L786 PolarHBondContact OG-O 2.89Å |
| 787 | E | 96.1 | Very high | 95.9 | Very high | 82 Ų | 82 | 39.9 Ų | 39.9 | 38% | 0.383 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 140.8 | 179.1 | -67.9 | -178.8 | -179.5 | 0 | 0 | 109.6 | L596 D597 A599 R785 E789 | L596-E787 WeakPolarHBondContact CA-O 3.22Å; D597-E787 PolarHBondContact N-O 3.45Å; D597-E787 PolarHBondContact O-N 3.31Å; A599-E787 HydrophobicContact CB-CG 4.22Å; A599-E787 WeakPolarHBondContact CB-OE1 3.44Å; R785-E787 HydrophobicContact CG-CG 4.47Å; R785-E787 IonicContact CZ-OE1 2.86Å; R785-E787 IonicContact NE-OE1 2.77Å; R785-E787 PolarHBondContact NE-OE1 3.42Å; R785-E787 IonicContact NH2-OE1 3.27Å; R785-E787 PolarHBondContact NH2-OE1 3.29Å; E787-E789 PolarHBondContact O-N 2.95Å |
| 788 | F | 96.9 | Very high | 95.8 | Very high | 44 Ų | 44 | 39.2 Ų | 39.2 | 19% | 0.193 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 120.8 | 163.4 | 166.9 | -96.6 | 0 | 0 | 0 | 107.9 | T594 L596 M766 K770 A773 V791 | T594-F788 HydrophobicContact CG2-CD2 3.88Å; T594-F788 HydrophobicContact CG2-CE2 3.9Å; L596-F788 HydrophobicContact CD2-CB 4.43Å; L596-F788 HydrophobicContact CD2-CD2 4.42Å; M766-F788 HydrophobicContact CB-CE2 4.42Å; M766-F788 HydrophobicContact CB-CZ 4.1Å; M766-F788 HydrophobicContact CE-CZ 4.29Å; M766-F788 HydrophobicContact CG-CE2 4.26Å; M766-F788 HydrophobicContact CG-CZ 3.72Å; M766-F788 HydrophobicContact SD-CZ 4.4Å; K770-F788 HydrophobicContact CG-CB 4.11Å; K770-F788 HydrophobicContact CG-CD1 4.22Å; K770-F788 HydrophobicContact CG-CG 4.13Å; A773-F788 HydrophobicContact CB-CB 4.42Å; F788-V791 HydrophobicContact CE2-CG2 3.68Å; F788-V791 HydrophobicContact CZ-CG2 3.87Å |
| 789 | E | 93.7 | Very high | 95.5 | Very high | 65 Ų | 65 | 37.4 Ų | 37.4 | 30% | 0.304 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | -50.7 | -177.8 | -165.4 | -164.6 | 170 | 0 | 0 | 111.3 | T595 D597 E787 | T595-E789 PolarHBondContact O-N 3.05Å; D597-E789 HydrophobicContact CB-CB 4.37Å; E787-E789 PolarHBondContact O-N 2.95Å |
| 790 | K | 96.7 | Very high | 95.2 | Very high | 16 Ų | 16 | 38.4 Ų | 38.4 | 7% | 0.07 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.1 | 167.4 | -167.5 | 61.3 | -164.1 | 167.3 | -136.1 | 0 | 112.9 | T595 Y792 Y807 F808 | T595-K790 HydrophobicContact CG2-CG 4.43Å; T595-K790 PolarHBondContact N-O 2.77Å; K790-Y792 HydrophobicContact CD-CE2 4.34Å; K790-Y792 WeakPolarHBondContact CE-OH 3.34Å; K790-Y807 HydrophobicContact CB-CD1 4.41Å; K790-Y807 HydrophobicContact CB-CE1 3.9Å; K790-Y807 HydrophobicContact CB-CE2 4.29Å; K790-Y807 HydrophobicContact CD-CD2 3.66Å; K790-Y807 HydrophobicContact CD-CE1 4.21Å; K790-Y807 HydrophobicContact CD-CE2 3.07Å; K790-Y807 HydrophobicContact CD-CG 4.44Å; K790-Y807 HydrophobicContact CG-CE2 4.26Å; K790-F808 WeakPolarHBondContact CA-O 3.24Å |
| 791 | V | 98.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 141.1 | 168 | 178.5 | 0 | 0 | 0 | 0 | 109.7 | P592 I593 L762 M766 F788 F808 | P592-V791 HydrophobicContact CB-CG1 3.66Å; I593-V791 CarbonylContact O-C 3.58Å; I593-V791 WeakPolarHBondContact O-CA 3.41Å; L762-V791 HydrophobicContact CG-CG1 4.34Å; M766-V791 HydrophobicContact CE-CB 4.28Å; M766-V791 HydrophobicContact CE-CG2 4.15Å; M766-V791 HydrophobicContact CG-CG2 3.56Å; F788-V791 HydrophobicContact CE2-CG2 3.68Å; F788-V791 HydrophobicContact CZ-CG2 3.87Å; V791-F808 PolarHBondContact N-O 2.91Å; V791-F808 PolarHBondContact O-N 3.3Å |
| 792 | Y | 98.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 128.7 | 168.2 | -68.4 | -66.2 | 0 | 0 | 0 | 111.4 | I593 M754 K790 F795 Y803 L806 Y807 D818 | I593-Y792 PolarHBondContact N-O 3.46Å; I593-Y792 PolarHBondContact O-N 3.34Å; M754-Y792 HydrophobicContact CE-CE2 4.2Å; K790-Y792 HydrophobicContact CD-CE2 4.34Å; K790-Y792 WeakPolarHBondContact CE-OH 3.34Å; Y792-F795 VanDerWaalsContact CB-CD2 3.47Å; Y792-F795 HydrophobicContact CD1-CD2 4.34Å; Y792-F795 AromaticContact CD2-CD2 3.7Å; Y792-F795 HydrophobicContact CD2-CD2 3.7Å; Y792-F795 AromaticContact CD2-CE2 3.64Å; Y792-F795 HydrophobicContact CD2-CE2 3.64Å; Y792-F795 HydrophobicContact CD2-CZ 4.44Å; Y792-F795 HydrophobicContact CE2-CE2 4.1Å; Y792-F795 AromaticContact CG-CD2 3.59Å; Y792-F795 HydrophobicContact CG-CD2 3.59Å; Y792-F795 AromaticContact CG-CE2 3.98Å; Y792-F795 HydrophobicContact CG-CE2 3.98Å; Y792-F795 HydrophobicContact CG-CG 4.4Å; Y792-Y803 HydrophobicContact CE2-CE2 4.16Å; Y792-L806 VanDerWaalsContact CA-O 3.24Å; Y792-L806 WeakPolarHBondContact CA-O 3.48Å; Y792-Y807 AromaticContact CE1-CD2 3.98Å; Y792-Y807 HydrophobicContact CE1-CD2 3.98Å; Y792-Y807 HydrophobicContact CE1-CG 4.4Å; Y792-D818 HydrophobicContact CE1-CB 3.86Å; Y792-D818 PolarHBondContact OH-OD2 3.43Å |
| 793 | F | 97.3 | Very high | 94.8 | Very high | 41 Ų | 41 | 37 Ų | 37 | 18% | 0.18 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 108.5 | 177.2 | -178 | -137.2 | 0 | 0 | 0 | 114.7 | N590 K591 P592 L762 L806 F808 | N590-F793 WeakPolarHBondContact O-CE2 3.45Å; K591-F793 VanDerWaalsContact C-CD2 3.43Å; P592-F793 HydrophobicContact CB-CB 4.35Å; P592-F793 HydrophobicContact CB-CG 4.44Å; P592-F793 HydrophobicContact CG-CB 4.4Å; P592-F793 HydrophobicContact CG-CD1 4.2Å; P592-F793 HydrophobicContact CG-CD2 4.11Å; P592-F793 HydrophobicContact CG-CE2 4.45Å; P592-F793 HydrophobicContact CG-CG 3.98Å; L762-F793 HydrophobicContact CD1-CB 4.23Å; L762-F793 HydrophobicContact CD1-CD1 4.07Å; F793-L806 PolarHBondContact N-O 3.14Å; F793-L806 VanDerWaalsContact N-O 3.08Å; F793-L806 WeakPolarHBondContact O-CB 3.33Å; F793-F808 HydrophobicContact CB-CE2 4.18Å; F793-F808 WeakPolarHBondContact O-CE2 3.09Å |
| 794 | P | 96.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | cis | -72.1 | 171 | -4.7 | 32.5 | -35.1 | 0 | 0 | 0 | 112 | Y588 Y589 G805 L806 L845 | Y588-P794 HydrophobicContact CE2-CB 3.88Å; Y588-P794 HydrophobicContact CE2-CG 4.27Å; Y589-P794 WeakPolarHBondContact O-CA 3.35Å; Y589-P794 WeakPolarHBondContact O-CB 3.35Å; P794-G805 VanDerWaalsContact O-CA 3.3Å; P794-G805 WeakPolarHBondContact O-CA 3.23Å; P794-L806 PolarHBondContact O-N 2.87Å; P794-L845 HydrophobicContact CB-CD2 4.46Å; P794-L845 VanDerWaalsContact CD-O 3.32Å; P794-L845 WeakPolarHBondContact CD-O 3.47Å; P794-L845 HydrophobicContact CG-CB 4.26Å; P794-L845 HydrophobicContact CG-CD2 3.86Å; P794-L845 WeakPolarHBondContact CG-O 3.18Å |
| 795 | F | 96.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 126.8 | -178.1 | -177.2 | -120 | 0 | 0 | 0 | 111.9 | Y589 I593 I746 M754 Y792 L797 Y803 A804 | Y589-F795 WeakPolarHBondContact CB-O 3.11Å; Y589-F795 HydrophobicContact CD2-CD1 4.09Å; Y589-F795 PolarHBondContact N-O 3.35Å; Y589-F795 PolarHBondContact O-N 2.99Å; I593-F795 HydrophobicContact CB-CB 4.29Å; I593-F795 HydrophobicContact CB-CD1 4.12Å; I593-F795 HydrophobicContact CB-CG 4.34Å; I593-F795 HydrophobicContact CG1-CB 3.95Å; I593-F795 HydrophobicContact CG1-CD1 3.88Å; I593-F795 HydrophobicContact CG1-CG 4.25Å; I593-F795 HydrophobicContact CG2-CD1 4.07Å; I593-F795 HydrophobicContact CG2-CE1 4.32Å; I746-F795 HydrophobicContact CD1-CD1 4.14Å; I746-F795 HydrophobicContact CD1-CE1 4.04Å; M754-F795 HydrophobicContact CE-CZ 4.13Å; M754-F795 HydrophobicContact SD-CE1 3.76Å; M754-F795 HydrophobicContact SD-CE2 4.19Å; M754-F795 HydrophobicContact SD-CZ 3.31Å; M754-F795 WeakPolarHBondContact SD-CZ 3.45Å; Y792-F795 VanDerWaalsContact CB-CD2 3.47Å; Y792-F795 HydrophobicContact CD1-CD2 4.34Å; Y792-F795 AromaticContact CD2-CD2 3.7Å; Y792-F795 HydrophobicContact CD2-CD2 3.7Å; Y792-F795 AromaticContact CD2-CE2 3.64Å; Y792-F795 HydrophobicContact CD2-CE2 3.64Å; Y792-F795 HydrophobicContact CD2-CZ 4.44Å; Y792-F795 HydrophobicContact CE2-CE2 4.1Å; Y792-F795 AromaticContact CG-CD2 3.59Å; Y792-F795 HydrophobicContact CG-CD2 3.59Å; Y792-F795 AromaticContact CG-CE2 3.98Å; Y792-F795 HydrophobicContact CG-CE2 3.98Å; Y792-F795 HydrophobicContact CG-CG 4.4Å; F795-L797 HydrophobicContact CD1-CB 4.18Å; F795-L797 HydrophobicContact CE1-CB 3.64Å; F795-L797 HydrophobicContact CE1-CD1 4.2Å; F795-L797 HydrophobicContact CE1-CD2 4.19Å; F795-L797 HydrophobicContact CE1-CG 4.22Å; F795-L797 HydrophobicContact CZ-CB 4.22Å; F795-L797 HydrophobicContact CZ-CD1 4.18Å; F795-Y803 AromaticContact CE2-CD2 3.64Å; F795-Y803 HydrophobicContact CE2-CD2 3.64Å; F795-Y803 HydrophobicContact CE2-CE2 4.47Å; F795-Y803 AromaticContact CE2-CG 3.91Å; F795-Y803 HydrophobicContact CE2-CG 3.91Å; F795-Y803 HydrophobicContact CZ-CD2 4.07Å; F795-Y803 AromaticContact CZ-CG 3.93Å; F795-Y803 HydrophobicContact CZ-CG 3.93Å; F795-A804 WeakPolarHBondContact CD2-O 3.27Å |
| 796 | L | 96.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 106.1 | 175.8 | 178.9 | 65 | 0 | 0 | 0 | 109.6 | Y588 I798 Y803 A804 L841 L845 I962 P965 I966 | Y588-L796 HydrophobicContact CD2-CB 4.49Å; Y588-L796 HydrophobicContact CD2-CD1 4.38Å; L796-I798 HydrophobicContact CD2-CD1 4.13Å; L796-I798 HydrophobicContact CD2-CG1 4.24Å; L796-I798 HydrophobicContact CG-CD1 4.35Å; L796-I798 HydrophobicContact CG-CG1 3.95Å; L796-Y803 CarbonylContact O-C 3.54Å; L796-Y803 WeakPolarHBondContact O-CA 3.47Å; L796-Y803 WeakPolarHBondContact O-CB 3.41Å; L796-A804 PolarHBondContact N-O 3.29Å; L796-A804 PolarHBondContact O-N 3.48Å; L796-L841 HydrophobicContact CD2-CD2 3.91Å; L796-L845 HydrophobicContact CB-CD2 4.35Å; L796-I962 HydrophobicContact CD2-CG2 4.02Å; L796-P965 HydrophobicContact CD1-CB 4.01Å; L796-P965 HydrophobicContact CD1-CG 4.26Å; L796-I966 HydrophobicContact CD1-CD1 4.37Å; L796-I966 HydrophobicContact CD1-CG1 4.26Å |
| 797 | L | 95.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 111.8 | 177.7 | -176.6 | 53.9 | 0 | 0 | 0 | 110.3 | P584 A585 K586 G587 Y589 I746 Y747 F795 | P584-L797 HydrophobicContact CB-CD1 3.9Å; P584-L797 HydrophobicContact CB-CD2 3.81Å; P584-L797 HydrophobicContact CB-CG 3.82Å; A585-L797 VanDerWaalsContact O-CD2 3.3Å; A585-L797 WeakPolarHBondContact O-CD2 3.48Å; K586-L797 WeakPolarHBondContact CA-O 3.36Å; G587-L797 PolarHBondContact N-O 3.47Å; G587-L797 PolarHBondContact O-N 2.79Å; Y589-L797 HydrophobicContact CD2-CB 4.4Å; Y589-L797 HydrophobicContact CE2-CB 4.04Å; Y589-L797 HydrophobicContact CE2-CD2 4.38Å; I746-L797 HydrophobicContact CB-CD2 4.43Å; I746-L797 HydrophobicContact CD1-CD2 4.04Å; I746-L797 HydrophobicContact CG1-CD2 4.29Å; Y747-L797 HydrophobicContact CD1-CD1 4.44Å; Y747-L797 HydrophobicContact CG-CD1 4.18Å; F795-L797 HydrophobicContact CD1-CB 4.18Å; F795-L797 HydrophobicContact CE1-CB 3.64Å; F795-L797 HydrophobicContact CE1-CD1 4.2Å; F795-L797 HydrophobicContact CE1-CD2 4.19Å; F795-L797 HydrophobicContact CE1-CG 4.22Å; F795-L797 HydrophobicContact CZ-CB 4.22Å; F795-L797 HydrophobicContact CZ-CD1 4.18Å |
| 798 | I | 93 | Very high | 95.2 | Very high | 10 Ų | 10 | 26.1 Ų | 26.1 | 5% | 0.051 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | -57.1 | -171.1 | -62.5 | 174.6 | 0 | 0 | 0 | 111.3 | K586 L796 R802 I822 R961 I962 P965 | K586-I798 WeakPolarHBondContact CD-O 3.39Å; K586-I798 WeakPolarHBondContact CE-O 3.14Å; K586-I798 VanDerWaalsContact CG-O 3.26Å; K586-I798 WeakPolarHBondContact CG-O 3.25Å; L796-I798 HydrophobicContact CD2-CD1 4.13Å; L796-I798 HydrophobicContact CD2-CG1 4.24Å; L796-I798 HydrophobicContact CG-CD1 4.35Å; L796-I798 HydrophobicContact CG-CG1 3.95Å; I798-R802 HydrophobicContact CB-CB 4.29Å; I798-R802 WeakPolarHBondContact CB-O 3.29Å; I798-R802 HydrophobicContact CG2-CB 4.42Å; I798-R802 PolarHBondContact N-O 2.88Å; I798-R802 VanDerWaalsContact N-O 3.13Å; I798-I822 HydrophobicContact CD1-CD1 4.1Å; I798-I822 HydrophobicContact CD1-CG1 4.37Å; I798-R961 HydrophobicContact CB-CG 4.49Å; I798-R961 HydrophobicContact CD1-CG 4.41Å; I798-R961 VanDerWaalsContact CG2-CD 3.46Å; I798-R961 HydrophobicContact CG2-CG 3.12Å; I798-I962 HydrophobicContact CD1-CG1 4.4Å; I798-P965 HydrophobicContact CG1-CG 4.49Å |
| 799 | S | 91.2 | Very high | 95.1 | Very high | 31 Ų | 31 | 27 Ų | 27 | 22% | 0.217 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162 | -179.8 | -177.4 | 72.5 | 0 | 0 | 0 | 0 | 110.5 | K801 R802 | S799-K801 PolarHBondContact O-N 2.92Å; S799-R802 PolarHBondContact N-O 2.88Å; S799-R802 VanDerWaalsContact N-O 3.16Å; S799-R802 PolarHBondContact O-N 3.47Å; S799-R802 WeakPolarHBondContact OG-CB 3.29Å; S799-R802 WeakPolarHBondContact OG-CD 3.18Å |
| 800 | K | 89.2 | Confident | 95.1 | Very high | 88 Ų | 88 | 30.6 Ų | 30.6 | 38% | 0.383 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | 127.3 | 173.6 | -62.2 | -175 | 178.7 | -177.7 | 0 | 110.4 | V581 E583 P584 R802 | V581-K800 HydrophobicContact CB-CD 4.22Å; V581-K800 HydrophobicContact CG1-CB 4.11Å; V581-K800 HydrophobicContact CG1-CD 3.67Å; V581-K800 HydrophobicContact CG1-CG 3.66Å; E583-K800 WeakPolarHBondContact OE1-CE 3.43Å; E583-K800 IonicContact OE1-NZ 3.94Å; E583-K800 PolarHBondContact OE1-NZ 3Å; E583-K800 WeakPolarHBondContact OE2-CE 3.44Å; E583-K800 IonicContact OE2-NZ 2.77Å; P584-K800 HydrophobicContact CG-CG 4.42Å; K800-R802 PolarHBondContact O-N 2.84Å; K800-R802 VanDerWaalsContact O-N 3.12Å |
| 801 | K | 88.7 | Confident | 94.9 | Very high | 107 Ų | 107 | 32.3 Ų | 32.3 | 47% | 0.465 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | 17.8 | -179.1 | -48.4 | -162.8 | 169 | -166.4 | 0 | 114.5 | Y747 D749 S799 K820 G821 | Y747-K801 PolarHBondContact OH-N 3.3Å; D749-K801 WeakPolarHBondContact OD1-CE 3.33Å; D749-K801 IonicContact OD1-NZ 2.69Å; D749-K801 VanDerWaalsContact OD2-CE 3.32Å; D749-K801 WeakPolarHBondContact OD2-CE 3.42Å; D749-K801 WeakPolarHBondContact OD2-CG 3.49Å; S799-K801 PolarHBondContact O-N 2.92Å; K801-K820 CarbonylContact O-C 3.5Å; K801-G821 VanDerWaalsContact O-CA 3.3Å; K801-G821 WeakPolarHBondContact O-CA 3.31Å |
| 802 | R | 91.9 | Very high | 94.6 | Very high | 66 Ų | 66 | 39 Ų | 39 | 25% | 0.249 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 107 | -179.2 | -57.4 | -169.7 | -171.6 | -164.2 | 3.7 | 111.2 | I798 S799 K800 K820 G821 E823 R961 | I798-R802 HydrophobicContact CB-CB 4.29Å; I798-R802 WeakPolarHBondContact CB-O 3.29Å; I798-R802 HydrophobicContact CG2-CB 4.42Å; I798-R802 PolarHBondContact N-O 2.88Å; I798-R802 VanDerWaalsContact N-O 3.13Å; S799-R802 PolarHBondContact N-O 2.88Å; S799-R802 VanDerWaalsContact N-O 3.16Å; S799-R802 PolarHBondContact O-N 3.47Å; S799-R802 WeakPolarHBondContact OG-CB 3.29Å; S799-R802 WeakPolarHBondContact OG-CD 3.18Å; K800-R802 PolarHBondContact O-N 2.84Å; K800-R802 VanDerWaalsContact O-N 3.12Å; R802-K820 WeakPolarHBondContact CA-O 3.13Å; R802-G821 WeakPolarHBondContact CD-O 3.2Å; R802-G821 WeakPolarHBondContact CG-O 3.03Å; R802-E823 IonicContact NH1-OE1 3.35Å; R802-R961 VanDerWaalsContact NH1-NH2 3.18Å |
| 803 | Y | 94.6 | Very high | 94.3 | Very high | 19 Ų | 19 | 43.7 Ų | 43.7 | 8% | 0.075 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.9 | 159.7 | 179.2 | 54 | -96.6 | 0 | 0 | 0 | 111.1 | Y747 M754 Y792 F795 L796 K820 | Y747-Y803 HydrophobicContact CE1-CD1 4.3Å; Y747-Y803 HydrophobicContact CE1-CE1 4.03Å; M754-Y803 HydrophobicContact CE-CD1 4.18Å; M754-Y803 HydrophobicContact CE-CD2 4.28Å; M754-Y803 HydrophobicContact CE-CE1 3.71Å; M754-Y803 HydrophobicContact CE-CE2 3.78Å; M754-Y803 HydrophobicContact CE-CG 4.44Å; M754-Y803 VanDerWaalsContact CE-CZ 3.45Å; Y792-Y803 HydrophobicContact CE2-CE2 4.16Å; F795-Y803 AromaticContact CE2-CD2 3.64Å; F795-Y803 HydrophobicContact CE2-CD2 3.64Å; F795-Y803 HydrophobicContact CE2-CE2 4.47Å; F795-Y803 AromaticContact CE2-CG 3.91Å; F795-Y803 HydrophobicContact CE2-CG 3.91Å; F795-Y803 HydrophobicContact CZ-CD2 4.07Å; F795-Y803 AromaticContact CZ-CG 3.93Å; F795-Y803 HydrophobicContact CZ-CG 3.93Å; L796-Y803 CarbonylContact O-C 3.54Å; L796-Y803 WeakPolarHBondContact O-CA 3.47Å; L796-Y803 WeakPolarHBondContact O-CB 3.41Å; Y803-K820 HydrophobicContact CD1-CB 4.23Å; Y803-K820 HydrophobicContact CD2-CB 4.04Å; Y803-K820 HydrophobicContact CD2-CG 4Å; Y803-K820 HydrophobicContact CE1-CB 3.89Å; Y803-K820 HydrophobicContact CE1-CG 4.15Å; Y803-K820 HydrophobicContact CE2-CB 3.74Å; Y803-K820 HydrophobicContact CE2-CG 3.3Å; Y803-K820 HydrophobicContact CG-CB 4.3Å; Y803-K820 PolarHBondContact N-O 3.23Å; Y803-K820 VanDerWaalsContact N-O 3.1Å; Y803-K820 PolarHBondContact O-N 3.26Å |
| 804 | A | 95.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 149.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111 | F795 L796 D818 I822 L841 L845 | F795-A804 WeakPolarHBondContact CD2-O 3.27Å; L796-A804 PolarHBondContact N-O 3.29Å; L796-A804 PolarHBondContact O-N 3.48Å; A804-D818 CarbonylContact C-O 3.55Å; A804-D818 WeakPolarHBondContact CA-O 3.41Å; A804-I822 HydrophobicContact CB-CD1 3.65Å; A804-L841 HydrophobicContact CB-CD1 4.16Å; A804-L841 HydrophobicContact CB-CD2 3.85Å; A804-L845 HydrophobicContact CB-CD1 3.84Å |
| 805 | G | 96.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.2 | 163 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | P794 Y807 D818 | P794-G805 VanDerWaalsContact O-CA 3.3Å; P794-G805 WeakPolarHBondContact O-CA 3.23Å; G805-Y807 PolarHBondContact O-N 3.42Å; G805-D818 PolarHBondContact N-O 2.87Å; G805-D818 PolarHBondContact O-N 3.44Å |
| 806 | L | 98 | Very high | 94.1 | Very high | 9 Ų | 9 | 55.2 Ų | 55.2 | 5% | 0.047 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 121.8 | 169.3 | -59.6 | -172.9 | 0 | 0 | 0 | 108.8 | Y792 F793 P794 F808 Y814 M817 L845 I846 | Y792-L806 VanDerWaalsContact CA-O 3.24Å; Y792-L806 WeakPolarHBondContact CA-O 3.48Å; F793-L806 PolarHBondContact N-O 3.14Å; F793-L806 VanDerWaalsContact N-O 3.08Å; F793-L806 WeakPolarHBondContact O-CB 3.33Å; P794-L806 PolarHBondContact O-N 2.87Å; L806-F808 HydrophobicContact CB-CD2 4.39Å; L806-F808 HydrophobicContact CB-CE2 3.73Å; L806-F808 WeakPolarHBondContact O-CD2 3.3Å; L806-Y814 HydrophobicContact CB-CG 4.31Å; L806-Y814 HydrophobicContact CD1-CD1 4.15Å; L806-Y814 HydrophobicContact CD1-CG 4.32Å; L806-Y814 HydrophobicContact CD2-CD2 4.25Å; L806-Y814 HydrophobicContact CD2-CE2 4.43Å; L806-Y814 HydrophobicContact CD2-CG 4.48Å; L806-M817 HydrophobicContact CD2-CB 4.04Å; L806-M817 HydrophobicContact CD2-CG 4.23Å; L806-L845 WeakPolarHBondContact CD1-O 3.32Å; L806-L845 HydrophobicContact CD2-CB 4.18Å; L806-L845 HydrophobicContact CG-CB 4.27Å; L806-I846 HydrophobicContact CD1-CG1 4.46Å; L806-I846 HydrophobicContact CD2-CG1 3.73Å |
| 807 | Y | 97.1 | Very high | 94 | Very high | 35 Ų | 35 | 57.3 Ų | 57.3 | 14% | 0.137 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 124.2 | -172.7 | -175 | -64.4 | 0 | 0 | 0 | 109.8 | K790 Y792 G805 T809 Y814 D815 K816 D818 | K790-Y807 HydrophobicContact CB-CD1 4.41Å; K790-Y807 HydrophobicContact CB-CE1 3.9Å; K790-Y807 HydrophobicContact CB-CE2 4.29Å; K790-Y807 HydrophobicContact CD-CD2 3.66Å; K790-Y807 HydrophobicContact CD-CE1 4.21Å; K790-Y807 HydrophobicContact CD-CE2 3.07Å; K790-Y807 HydrophobicContact CD-CG 4.44Å; K790-Y807 HydrophobicContact CG-CE2 4.26Å; Y792-Y807 AromaticContact CE1-CD2 3.98Å; Y792-Y807 HydrophobicContact CE1-CD2 3.98Å; Y792-Y807 HydrophobicContact CE1-CG 4.4Å; G805-Y807 PolarHBondContact O-N 3.42Å; Y807-T809 HydrophobicContact CE1-CG2 3.6Å; Y807-Y814 CarbonylContact O-C 3.52Å; Y807-Y814 WeakPolarHBondContact O-CA 3.35Å; Y807-D815 HydrophobicContact CD1-CB 3.99Å; Y807-D815 WeakPolarHBondContact CD1-OD2 3.42Å; Y807-D815 PolarHBondContact O-N 3.44Å; Y807-K816 VanDerWaalsContact CB-O 3.24Å; Y807-K816 WeakPolarHBondContact CB-O 3.28Å; Y807-K816 HydrophobicContact CG-CG 4.47Å; Y807-K816 PolarHBondContact N-O 2.81Å; Y807-D818 HydrophobicContact CD2-CB 4.05Å |
| 808 | F | 97.9 | Very high | 94 | Very high | 18 Ų | 18 | 57.8 Ų | 57.8 | 8% | 0.079 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 119.8 | 176.4 | -67.7 | -103.7 | 0 | 0 | 0 | 111.6 | L762 M766 K790 V791 F793 L806 K810 V813 Y814 | L762-F808 HydrophobicContact CD1-CB 4.1Å; L762-F808 HydrophobicContact CD1-CD1 3.54Å; L762-F808 HydrophobicContact CD1-CD2 3.77Å; L762-F808 HydrophobicContact CD1-CE1 3.7Å; L762-F808 HydrophobicContact CD1-CE2 3.95Å; L762-F808 HydrophobicContact CD1-CG 3.56Å; L762-F808 HydrophobicContact CD1-CZ 3.9Å; M766-F808 HydrophobicContact CE-CB 3.74Å; M766-F808 WeakPolarHBondContact CE-O 3.37Å; K790-F808 WeakPolarHBondContact CA-O 3.24Å; V791-F808 PolarHBondContact N-O 2.91Å; V791-F808 PolarHBondContact O-N 3.3Å; F793-F808 HydrophobicContact CB-CE2 4.18Å; F793-F808 WeakPolarHBondContact O-CE2 3.09Å; L806-F808 HydrophobicContact CB-CD2 4.39Å; L806-F808 HydrophobicContact CB-CE2 3.73Å; L806-F808 WeakPolarHBondContact O-CD2 3.3Å; F808-K810 WeakPolarHBondContact CD1-O 3.47Å; F808-V813 WeakPolarHBondContact CD1-O 3.37Å; F808-V813 VanDerWaalsContact CE1-C 3.46Å; F808-Y814 VanDerWaalsContact CZ-CB 3.49Å |
| 809 | T | 94.4 | Very high | 94 | Very high | 62 Ų | 62 | 58.3 Ų | 58.3 | 38% | 0.38 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -91 | -26.3 | 160.1 | 53.6 | 0 | 0 | 0 | 0 | 112.9 | Y807 D815 | Y807-T809 HydrophobicContact CE1-CG2 3.6Å; T809-D815 WeakPolarHBondContact CB-OD2 3.39Å; T809-D815 WeakPolarHBondContact CG2-OD2 3.48Å; T809-D815 PolarHBondContact N-OD2 2.91Å; T809-D815 PolarHBondContact OG1-OD1 3.33Å; T809-D815 PolarHBondContact OG1-OD2 2.93Å |
| 810 | K | 93.6 | Very high | 94 | Very high | 141 Ų | 141 | 60.7 Ų | 60.7 | 61% | 0.613 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -125.4 | 154.6 | 178 | -64.9 | -179.9 | -175.4 | 176.8 | 0 | 109.8 | F808 | F808-K810 WeakPolarHBondContact CD1-O 3.47Š|
| 811 | P | 92.9 | Very high | 93.9 | Very high | 52 Ų | 52 | 58.1 Ų | 58.1 | 34% | 0.338 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -77.3 | -22.7 | -169.8 | 28.6 | -35 | 0 | 0 | 0 | 116 | L762 P763 M766 | L762-P811 VanDerWaalsContact CD2-CA 3.41Å; L762-P811 HydrophobicContact CD2-CB 3.65Å; P763-P811 HydrophobicContact CG-CB 3.85Å; M766-P811 HydrophobicContact SD-CB 4.26Å |
| 812 | D | 92.1 | Very high | 93.9 | Very high | 140 Ų | 140 | 53.2 Ų | 53.2 | 75% | 0.749 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -79.3 | -39.1 | -166.3 | -48.9 | -57 | 0 | 0 | 0 | 113.2 | ||
| 813 | V | 92.6 | Very high | 93.6 | Very high | 99 Ų | 99 | 50.7 Ų | 50.7 | 60% | 0.6 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -143.6 | 142.9 | -174.7 | -175.9 | 0 | 0 | 0 | 0 | 109.4 | F808 | F808-V813 WeakPolarHBondContact CD1-O 3.37Å; F808-V813 VanDerWaalsContact CE1-C 3.46Å |
| 814 | Y | 95.3 | Very high | 92.6 | Very high | 89 Ų | 89 | 50.4 Ų | 50.4 | 35% | 0.349 | 26% | 0.262 | S | S | . | . | trans | -72 | 139.8 | 173.3 | 68.7 | -88.5 | 0 | 0 | 0 | 110.2 | L806 Y807 F808 | L806-Y814 HydrophobicContact CB-CG 4.31Å; L806-Y814 HydrophobicContact CD1-CD1 4.15Å; L806-Y814 HydrophobicContact CD1-CG 4.32Å; L806-Y814 HydrophobicContact CD2-CD2 4.25Å; L806-Y814 HydrophobicContact CD2-CE2 4.43Å; L806-Y814 HydrophobicContact CD2-CG 4.48Å; Y807-Y814 CarbonylContact O-C 3.52Å; Y807-Y814 WeakPolarHBondContact O-CA 3.35Å; F808-Y814 VanDerWaalsContact CZ-CB 3.49Å | ||
| 815 | D | 94.9 | Very high | 91.1 | Very high | 81 Ų | 81 | 55.5 Ų | 55.5 | 43% | 0.433 | 29% | 0.293 | S | S | . | . | trans | -72.8 | -41.1 | 179.3 | -58.8 | -48.3 | 0 | 0 | 0 | 111.2 | Y807 T809 | Y807-D815 HydrophobicContact CD1-CB 3.99Å; Y807-D815 WeakPolarHBondContact CD1-OD2 3.42Å; Y807-D815 PolarHBondContact O-N 3.44Å; T809-D815 WeakPolarHBondContact CB-OD2 3.39Å; T809-D815 WeakPolarHBondContact CG2-OD2 3.48Å; T809-D815 PolarHBondContact N-OD2 2.91Å; T809-D815 PolarHBondContact OG1-OD1 3.33Å; T809-D815 PolarHBondContact OG1-OD2 2.93Å | ||
| 816 | K | 95.1 | Very high | 89.9 | Confident | 112 Ų | 112 | 60 Ų | 60 | 49% | 0.487 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.5 | 165.2 | 178.5 | 61.5 | -172.1 | 177.7 | -168.8 | 0 | 112.5 | Y807 | Y807-K816 VanDerWaalsContact CB-O 3.24Å; Y807-K816 WeakPolarHBondContact CB-O 3.28Å; Y807-K816 HydrophobicContact CG-CG 4.47Å; Y807-K816 PolarHBondContact N-O 2.81Å |
| 817 | M | 95 | Very high | 88.6 | Confident | 44 Ų | 44 | 63.4 Ų | 63.4 | 22% | 0.217 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 112.5 | 162 | -174.5 | 177.8 | 66.4 | 0 | 0 | 109.4 | L806 L841 E842 L845 | L806-M817 HydrophobicContact CD2-CB 4.04Å; L806-M817 HydrophobicContact CD2-CG 4.23Å; M817-L841 HydrophobicContact CE-CB 4.16Å; M817-L841 HydrophobicContact SD-CB 3.78Å; M817-E842 HydrophobicContact CE-CG 3.75Å; M817-E842 HydrophobicContact SD-CG 4.11Å; M817-L845 HydrophobicContact CG-CD1 4.04Å; M817-L845 HydrophobicContact SD-CD1 4.01Å |
| 818 | D | 94.5 | Very high | 87.5 | Confident | 10 Ų | 10 | 64.6 Ų | 64.6 | 5% | 0.053 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 128.9 | -179.1 | -169.2 | 29.8 | 0 | 0 | 0 | 110.5 | Y792 A804 G805 Y807 K820 | Y792-D818 HydrophobicContact CE1-CB 3.86Å; Y792-D818 PolarHBondContact OH-OD2 3.43Å; A804-D818 CarbonylContact C-O 3.55Å; A804-D818 WeakPolarHBondContact CA-O 3.41Å; G805-D818 PolarHBondContact N-O 2.87Å; G805-D818 PolarHBondContact O-N 3.44Å; Y807-D818 HydrophobicContact CD2-CB 4.05Å; D818-K820 VanDerWaalsContact OD1-CE 3.28Å; D818-K820 WeakPolarHBondContact OD1-CE 3.34Å; D818-K820 IonicContact OD1-NZ 3.73Å; D818-K820 PolarHBondContact OD1-NZ 2.99Å; D818-K820 WeakPolarHBondContact OD2-CE 3.38Å; D818-K820 IonicContact OD2-NZ 2.78Å; D818-K820 PolarHBondContact OD2-NZ 3.36Å |
| 819 | C | 92.8 | Very high | 86.9 | Confident | 22 Ų | 22 | 64.6 Ų | 64.6 | 15% | 0.149 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 116.3 | -179.6 | -62.8 | 0 | 0 | 0 | 0 | 109.5 | I822 | C819-I822 HydrophobicContact CB-CD1 4.49Å |
| 820 | K | 90.5 | Very high | 86.7 | Confident | 80 Ų | 80 | 61.7 Ų | 61.7 | 35% | 0.348 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 129.2 | 179.6 | -61.2 | -56.2 | -169.8 | -148.2 | 0 | 110.9 | K801 R802 Y803 D818 I822 | K801-K820 CarbonylContact O-C 3.5Å; R802-K820 WeakPolarHBondContact CA-O 3.13Å; Y803-K820 HydrophobicContact CD1-CB 4.23Å; Y803-K820 HydrophobicContact CD2-CB 4.04Å; Y803-K820 HydrophobicContact CD2-CG 4Å; Y803-K820 HydrophobicContact CE1-CB 3.89Å; Y803-K820 HydrophobicContact CE1-CG 4.15Å; Y803-K820 HydrophobicContact CE2-CB 3.74Å; Y803-K820 HydrophobicContact CE2-CG 3.3Å; Y803-K820 HydrophobicContact CG-CB 4.3Å; Y803-K820 PolarHBondContact N-O 3.23Å; Y803-K820 VanDerWaalsContact N-O 3.1Å; Y803-K820 PolarHBondContact O-N 3.26Å; D818-K820 VanDerWaalsContact OD1-CE 3.28Å; D818-K820 WeakPolarHBondContact OD1-CE 3.34Å; D818-K820 IonicContact OD1-NZ 3.73Å; D818-K820 PolarHBondContact OD1-NZ 2.99Å; D818-K820 WeakPolarHBondContact OD2-CE 3.38Å; D818-K820 IonicContact OD2-NZ 2.78Å; D818-K820 PolarHBondContact OD2-NZ 3.36Å; K820-I822 PolarHBondContact O-N 2.92Å |
| 821 | G | 87.6 | Confident | 86.6 | Confident | 35 Ų | 35 | 56.3 Ų | 56.3 | 36% | 0.361 | 29% | 0.293 | S | S | . | . | S | Bend | trans | 62.2 | 9.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | K801 R802 | K801-G821 VanDerWaalsContact O-CA 3.3Å; K801-G821 WeakPolarHBondContact O-CA 3.31Å; R802-G821 WeakPolarHBondContact CD-O 3.2Å; R802-G821 WeakPolarHBondContact CG-O 3.03Å |
| 822 | I | 88.3 | Confident | 86.6 | Confident | 3 Ų | 3 | 54.4 Ų | 54.4 | 2% | 0.015 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -86.5 | 151.1 | 173.8 | -56.3 | 175.5 | 0 | 0 | 0 | 109.2 | I798 A804 C819 K820 T824 L837 L841 I962 | I798-I822 HydrophobicContact CD1-CD1 4.1Å; I798-I822 HydrophobicContact CD1-CG1 4.37Å; A804-I822 HydrophobicContact CB-CD1 3.65Å; C819-I822 HydrophobicContact CB-CD1 4.49Å; K820-I822 PolarHBondContact O-N 2.92Å; I822-T824 HydrophobicContact CG2-CG2 4.02Å; I822-T824 PolarHBondContact O-N 3.21Å; I822-L837 HydrophobicContact CG2-CD1 4.36Å; I822-L841 HydrophobicContact CD1-CD1 4.11Å; I822-I962 HydrophobicContact CG2-CD1 4.32Å |
| 823 | E | 86.1 | Confident | 86.7 | Confident | 13 Ų | 13 | 47.7 Ų | 47.7 | 6% | 0.061 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -60.3 | -10.6 | -179.5 | -72.2 | 75.5 | 179.8 | 0 | 0 | 114.8 | R802 V825 R826 N829 V833 L837 P958 R961 | R802-E823 IonicContact NH1-OE1 3.35Å; E823-V825 PolarHBondContact O-N 2.68Å; E823-R826 PolarHBondContact O-N 3.03Å; E823-N829 WeakPolarHBondContact CG-ND2 3.36Å; E823-V833 HydrophobicContact CB-CG1 3.81Å; E823-V833 HydrophobicContact CG-CG1 4.41Å; E823-L837 HydrophobicContact CB-CD1 3.57Å; E823-P958 HydrophobicContact CB-CB 4.26Å; E823-P958 HydrophobicContact CB-CG 4.34Å; E823-P958 HydrophobicContact CG-CB 3.97Å; E823-P958 HydrophobicContact CG-CG 3.65Å; E823-R961 IonicContact OE1-CZ 2.63Å; E823-R961 IonicContact OE1-NH1 3.52Å; E823-R961 PolarHBondContact OE1-NH1 3.2Å; E823-R961 IonicContact OE1-NH2 3.27Å; E823-R961 PolarHBondContact OE1-NH2 2.82Å; E823-R961 IonicContact OE2-CZ 3.97Å; E823-R961 IonicContact OE2-NH1 2.83Å; E823-R961 PolarHBondContact OE2-NH1 3.2Å |
| 824 | T | 73.4 | Confident | 86.6 | Confident | 14 Ų | 14 | 43.3 Ų | 43.3 | 9% | 0.086 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -49.9 | -32.9 | 176.7 | 50.8 | 0 | 0 | 0 | 0 | 113.4 | I822 A834 L837 L841 | I822-T824 HydrophobicContact CG2-CG2 4.02Å; I822-T824 PolarHBondContact O-N 3.21Å; T824-A834 WeakPolarHBondContact O-CB 3.39Å; T824-L837 HydrophobicContact CG2-CB 3.69Å; T824-L841 HydrophobicContact CG2-CD1 3.98Å |
| 825 | V | 65.6 | Low | 86.5 | Confident | 106 Ų | 106 | 42.8 Ų | 42.8 | 64% | 0.642 | 22% | 0.222 | S | C | * | . | G | 310 helix | trans | -117.7 | 4.7 | -179.8 | -64.4 | 0 | 0 | 0 | 0 | 113.5 | E823 | E823-V825 PolarHBondContact O-N 2.68Š|
| 826 | R | 70.6 | Confident | 86.5 | Confident | 96 Ų | 96 | 39 Ų | 39 | 36% | 0.362 | 20% | 0.202 | S | C | . | . | trans | -73.9 | 142.1 | -178 | -75.2 | -171.8 | 66.2 | 118.1 | -1.1 | 111.1 | R465 E823 D828 | R465-R826 PolarHBondContact NH2-O 3.47Å; E823-R826 PolarHBondContact O-N 3.03Å; R826-D828 WeakPolarHBondContact CB-OD1 3.4Å; R826-D828 IonicContact CZ-OD1 2.69Å; R826-D828 IonicContact CZ-OD2 2.75Å; R826-D828 IonicContact NE-OD1 2.65Å; R826-D828 PolarHBondContact NE-OD1 3.19Å; R826-D828 VanDerWaalsContact NE-OD1 3.14Å; R826-D828 IonicContact NE-OD2 3.04Å; R826-D828 IonicContact NH2-OD1 2.78Å; R826-D828 IonicContact NH2-OD2 3.97Å; R826-D828 PolarHBondContact NH2-OD2 3.4Å | ||
| 827 | R | 70.4 | Confident | 86.5 | Confident | 80 Ų | 80 | 33.7 Ų | 33.7 | 30% | 0.302 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -93.5 | -12.7 | -172.9 | -56.2 | -175 | -71.8 | 175.4 | -5.6 | 113.6 | L464 R465 R914 | L464-R827 WeakPolarHBondContact O-CD 3.03Å; L464-R827 PolarHBondContact O-NH1 3.12Å; R465-R827 HydrophobicContact CG-CB 4.36Å; R465-R827 HydrophobicContact CG-CG 3.99Å; R827-R914 PolarHBondContact O-NH2 3.48Å |
| 828 | D | 73.5 | Confident | 86.4 | Confident | 60 Ų | 60 | 33.2 Ų | 33.2 | 32% | 0.321 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -90 | -11.8 | -177.6 | 51.6 | -33.1 | 0 | 0 | 0 | 113.4 | R826 I876 | R826-D828 WeakPolarHBondContact CB-OD1 3.4Å; R826-D828 IonicContact CZ-OD1 2.69Å; R826-D828 IonicContact CZ-OD2 2.75Å; R826-D828 IonicContact NE-OD1 2.65Å; R826-D828 PolarHBondContact NE-OD1 3.19Å; R826-D828 VanDerWaalsContact NE-OD1 3.14Å; R826-D828 IonicContact NE-OD2 3.04Å; R826-D828 IonicContact NH2-OD1 2.78Å; R826-D828 IonicContact NH2-OD2 3.97Å; R826-D828 PolarHBondContact NH2-OD2 3.4Å; D828-I876 WeakPolarHBondContact O-CG2 3.32Å |
| 829 | N | 86.4 | Confident | 86.5 | Confident | 18 Ų | 18 | 34.4 Ų | 34.4 | 10% | 0.096 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -100.3 | 156.7 | 173.6 | -60 | -55.4 | 0 | 0 | 0 | 111.3 | E823 V833 | E823-N829 WeakPolarHBondContact CG-ND2 3.36Å; N829-V833 HydrophobicContact CB-CB 4.02Å; N829-V833 HydrophobicContact CB-CG1 4.25Å; N829-V833 HydrophobicContact CB-CG2 4.06Å |
| 830 | C | 90.7 | Very high | 86.6 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.007 | 18% | 0.18 | C | C | . | . | trans | -68.1 | 155.4 | 173.7 | 70.8 | 0 | 0 | 0 | 0 | 112.4 | L832 V833 Q873 I875 I876 Y950 Q954 | C830-L832 PolarHBondContact O-N 2.82Å; C830-V833 PolarHBondContact O-N 2.84Å; C830-V833 VanDerWaalsContact O-N 3.11Å; C830-Q873 VanDerWaalsContact CB-O 3.29Å; C830-Q873 WeakPolarHBondContact CB-O 3.48Å; C830-Q873 PolarHBondContact SG-O 2.88Å; C830-Q873 VanDerWaalsContact SG-O 3.35Å; C830-I875 WeakPolarHBondContact CA-O 3.41Å; C830-I876 HydrophobicContact CB-CG1 4.04Å; C830-Y950 HydrophobicContact CB-CE1 4.17Å; C830-Q954 VanDerWaalsContact N-OE1 3.14Å | ||
| 831 | P | 90.2 | Very high | 86.9 | Confident | 27 Ų | 27 | 29.5 Ų | 29.5 | 18% | 0.175 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -55.8 | -30.5 | -179.1 | -25 | 31.5 | 0 | 0 | 0 | 115 | V833 A834 N835 S872 Q873 I875 | P831-V833 PolarHBondContact O-N 3.46Å; P831-A834 WeakPolarHBondContact O-CB 3.5Å; P831-A834 PolarHBondContact O-N 2.91Å; P831-N835 PolarHBondContact O-N 2.91Å; P831-S872 WeakPolarHBondContact CG-O 3.2Å; P831-Q873 WeakPolarHBondContact CD-O 3.34Å; P831-I875 VanDerWaalsContact CD-O 3.24Å; P831-I875 WeakPolarHBondContact CD-O 3.39Å |
| 832 | L | 94.1 | Very high | 87.3 | Confident | 12 Ų | 12 | 31.9 Ų | 31.9 | 6% | 0.063 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -52.9 | -44.2 | 175.4 | -175 | 66.5 | 0 | 0 | 0 | 111.8 | C830 A834 N835 V836 V860 L864 V869 Q873 L874 L955 | C830-L832 PolarHBondContact O-N 2.82Å; L832-A834 VanDerWaalsContact C-N 3.31Å; L832-A834 PolarHBondContact O-N 3.43Å; L832-N835 PolarHBondContact O-N 3.28Å; L832-V836 HydrophobicContact CD1-CG2 4.02Å; L832-V836 HydrophobicContact CG-CG2 4.17Å; L832-V836 WeakPolarHBondContact O-CB 3.3Å; L832-V836 VanDerWaalsContact O-CG2 3.23Å; L832-V836 WeakPolarHBondContact O-CG2 3.42Å; L832-V836 PolarHBondContact O-N 3.38Å; L832-V860 HydrophobicContact CD1-CG1 3.88Å; L832-L864 HydrophobicContact CD2-CD1 4.28Å; L832-L864 HydrophobicContact CD2-CD2 4.5Å; L832-V869 HydrophobicContact CD1-CG1 4.02Å; L832-V869 HydrophobicContact CD1-CG2 4.36Å; L832-V869 HydrophobicContact CD2-CG1 4.22Å; L832-V869 HydrophobicContact CD2-CG2 4.48Å; L832-Q873 HydrophobicContact CB-CB 4.1Å; L832-Q873 VanDerWaalsContact CB-O 3.26Å; L832-Q873 WeakPolarHBondContact CB-O 3.39Å; L832-Q873 PolarHBondContact N-O 2.78Å; L832-L874 HydrophobicContact CB-CD2 4.42Å; L832-L874 HydrophobicContact CD2-CD2 3.84Å; L832-L955 HydrophobicContact CD2-CD1 4.03Å |
| 833 | V | 94.2 | Very high | 87.7 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.8 | -44.6 | 179.5 | -179.8 | 0 | 0 | 0 | 0 | 110.2 | E823 N829 C830 P831 L837 Q954 L955 P958 | E823-V833 HydrophobicContact CB-CG1 3.81Å; E823-V833 HydrophobicContact CG-CG1 4.41Å; N829-V833 HydrophobicContact CB-CB 4.02Å; N829-V833 HydrophobicContact CB-CG1 4.25Å; N829-V833 HydrophobicContact CB-CG2 4.06Å; C830-V833 PolarHBondContact O-N 2.84Å; C830-V833 VanDerWaalsContact O-N 3.11Å; P831-V833 PolarHBondContact O-N 3.46Å; V833-L837 HydrophobicContact CG1-CD1 3.62Å; V833-L837 HydrophobicContact CG1-CG 4.32Å; V833-L837 WeakPolarHBondContact O-CB 3.39Å; V833-L837 WeakPolarHBondContact O-CD1 3.44Å; V833-L837 WeakPolarHBondContact O-CG 3.46Å; V833-L837 PolarHBondContact O-N 2.85Å; V833-L837 VanDerWaalsContact O-N 3.11Å; V833-Q954 HydrophobicContact CG2-CB 3.74Å; V833-Q954 WeakPolarHBondContact CG2-O 3.48Å; V833-L955 HydrophobicContact CG2-CD2 4.03Å; V833-P958 HydrophobicContact CG1-CB 4.2Å; V833-P958 HydrophobicContact CG1-CG 4.1Å |
| 834 | A | 90.8 | Very high | 88.2 | Confident | 7 Ų | 7 | 32.7 Ų | 32.7 | 6% | 0.058 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.6 | -48.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | T824 P831 L832 L837 S838 | T824-A834 WeakPolarHBondContact O-CB 3.39Å; P831-A834 WeakPolarHBondContact O-CB 3.5Å; P831-A834 PolarHBondContact O-N 2.91Å; L832-A834 VanDerWaalsContact C-N 3.31Å; L832-A834 PolarHBondContact O-N 3.43Å; A834-L837 PolarHBondContact O-N 2.8Å; A834-S838 WeakPolarHBondContact O-CB 3.28Å; A834-S838 PolarHBondContact O-N 3.31Å; A834-S838 PolarHBondContact O-OG 2.81Å |
| 835 | N | 91.9 | Very high | 89.3 | Confident | 78 Ų | 78 | 32 Ų | 32 | 42% | 0.417 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -64.2 | -47.4 | -177.6 | -69.6 | -12.6 | 0 | 0 | 0 | 111.9 | P831 L832 L837 S838 T839 Q873 | P831-N835 PolarHBondContact O-N 2.91Å; L832-N835 PolarHBondContact O-N 3.28Å; N835-L837 PolarHBondContact O-N 3.32Å; N835-S838 PolarHBondContact O-N 2.95Å; N835-T839 PolarHBondContact O-N 3.01Å; N835-T839 PolarHBondContact O-OG1 2.79Å; N835-Q873 PolarHBondContact ND2-OE1 2.97Å |
| 836 | V | 95.2 | Very high | 90.7 | Very high | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.012 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.4 | -46.9 | 179.3 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | L832 T839 C840 Y856 V860 L955 L959 | L832-V836 HydrophobicContact CD1-CG2 4.02Å; L832-V836 HydrophobicContact CG-CG2 4.17Å; L832-V836 WeakPolarHBondContact O-CB 3.3Å; L832-V836 VanDerWaalsContact O-CG2 3.23Å; L832-V836 WeakPolarHBondContact O-CG2 3.42Å; L832-V836 PolarHBondContact O-N 3.38Å; V836-T839 PolarHBondContact O-N 2.96Å; V836-C840 WeakPolarHBondContact O-CB 3.22Å; V836-C840 PolarHBondContact O-N 2.89Å; V836-C840 PolarHBondContact O-SG 3.26Å; V836-Y856 HydrophobicContact CG1-CE1 4.22Å; V836-V860 HydrophobicContact CG2-CB 4.17Å; V836-V860 HydrophobicContact CG2-CG1 3.54Å; V836-V860 HydrophobicContact CG2-CG2 4.22Å; V836-L955 HydrophobicContact CB-CD2 4.44Å; V836-L955 HydrophobicContact CG2-CD2 4.44Å; V836-L959 HydrophobicContact CG1-CD2 3.92Å |
| 837 | L | 94.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68.3 | -38.7 | -178.6 | -62.1 | 171.6 | 0 | 0 | 0 | 111.7 | I822 E823 T824 V833 A834 N835 C840 L841 P958 L959 I962 | I822-L837 HydrophobicContact CG2-CD1 4.36Å; E823-L837 HydrophobicContact CB-CD1 3.57Å; T824-L837 HydrophobicContact CG2-CB 3.69Å; V833-L837 HydrophobicContact CG1-CD1 3.62Å; V833-L837 HydrophobicContact CG1-CG 4.32Å; V833-L837 WeakPolarHBondContact O-CB 3.39Å; V833-L837 WeakPolarHBondContact O-CD1 3.44Å; V833-L837 WeakPolarHBondContact O-CG 3.46Å; V833-L837 PolarHBondContact O-N 2.85Å; V833-L837 VanDerWaalsContact O-N 3.11Å; A834-L837 PolarHBondContact O-N 2.8Å; N835-L837 PolarHBondContact O-N 3.32Å; L837-C840 PolarHBondContact O-N 2.92Å; L837-L841 WeakPolarHBondContact O-CB 3.14Å; L837-L841 VanDerWaalsContact O-CG 3.22Å; L837-L841 WeakPolarHBondContact O-CG 3.17Å; L837-L841 PolarHBondContact O-N 2.8Å; L837-P958 HydrophobicContact CD1-CB 3.65Å; L837-P958 HydrophobicContact CD2-CB 4Å; L837-P958 HydrophobicContact CG-CB 4.4Å; L837-L959 HydrophobicContact CD2-CD2 3.96Å; L837-L959 HydrophobicContact CD2-CG 4.37Å; L837-I962 HydrophobicContact CB-CD1 3.96Å; L837-I962 HydrophobicContact CD2-CD1 3.4Å; L837-I962 VanDerWaalsContact CD2-CD1 3.4Å; L837-I962 HydrophobicContact CD2-CG1 4.24Å; L837-I962 HydrophobicContact CG-CD1 4.14Å |
| 838 | S | 93.9 | Very high | 93 | Very high | 33 Ų | 33 | 30.5 Ų | 30.5 | 23% | 0.231 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.4 | -49.8 | 175.3 | -67 | 0 | 0 | 0 | 0 | 111 | A834 N835 C840 L841 E842 | A834-S838 WeakPolarHBondContact O-CB 3.28Å; A834-S838 PolarHBondContact O-N 3.31Å; A834-S838 PolarHBondContact O-OG 2.81Å; N835-S838 PolarHBondContact O-N 2.95Å; S838-C840 VanDerWaalsContact C-N 3.35Å; S838-C840 PolarHBondContact O-N 2.9Å; S838-L841 PolarHBondContact O-N 3.44Å; S838-L841 VanDerWaalsContact O-N 3.17Å; S838-E842 WeakPolarHBondContact O-CG 3.31Å; S838-E842 PolarHBondContact O-N 2.93Å |
| 839 | T | 95.8 | Very high | 94 | Very high | 35 Ų | 35 | 30.5 Ų | 30.5 | 22% | 0.215 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.7 | -37.1 | 177.7 | -57.4 | 0 | 0 | 0 | 0 | 112.4 | N835 V836 E842 K843 Y856 | N835-T839 PolarHBondContact O-N 3.01Å; N835-T839 PolarHBondContact O-OG1 2.79Å; V836-T839 PolarHBondContact O-N 2.96Å; T839-E842 PolarHBondContact O-N 2.79Å; T839-K843 HydrophobicContact CG2-CD 4.3Å; T839-K843 WeakPolarHBondContact O-CB 3.44Å; T839-K843 VanDerWaalsContact O-CG 3.31Å; T839-K843 WeakPolarHBondContact O-CG 3.22Å; T839-K843 PolarHBondContact O-N 2.84Å; T839-Y856 HydrophobicContact CG2-CD1 3.91Å; T839-Y856 HydrophobicContact CG2-CD2 4.17Å; T839-Y856 HydrophobicContact CG2-CE1 3.59Å; T839-Y856 HydrophobicContact CG2-CE2 3.86Å; T839-Y856 HydrophobicContact CG2-CG 4.18Å |
| 840 | C | 96.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.5 | -43.5 | 173.1 | -69.6 | 0 | 0 | 0 | 0 | 111.6 | V836 L837 S838 K843 I844 A853 T857 F963 | V836-C840 WeakPolarHBondContact O-CB 3.22Å; V836-C840 PolarHBondContact O-N 2.89Å; V836-C840 PolarHBondContact O-SG 3.26Å; L837-C840 PolarHBondContact O-N 2.92Å; S838-C840 VanDerWaalsContact C-N 3.35Å; S838-C840 PolarHBondContact O-N 2.9Å; C840-K843 PolarHBondContact O-N 2.98Å; C840-I844 WeakPolarHBondContact O-CB 3.35Å; C840-I844 WeakPolarHBondContact O-CD1 3.46Å; C840-I844 WeakPolarHBondContact O-CG1 3.38Å; C840-I844 PolarHBondContact O-N 3.31Å; C840-A853 HydrophobicContact CB-CB 4.3Å; C840-T857 PolarHBondContact SG-OG1 2.9Å; C840-F963 HydrophobicContact CB-CE2 4.49Å; C840-F963 HydrophobicContact CB-CZ 4.46Å |
| 841 | L | 96.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.9 | -39 | 179.1 | -72.4 | 170.9 | 0 | 0 | 0 | 112.1 | L796 A804 M817 I822 T824 L837 S838 K843 I844 L845 I962 | L796-L841 HydrophobicContact CD2-CD2 3.91Å; A804-L841 HydrophobicContact CB-CD1 4.16Å; A804-L841 HydrophobicContact CB-CD2 3.85Å; M817-L841 HydrophobicContact CE-CB 4.16Å; M817-L841 HydrophobicContact SD-CB 3.78Å; I822-L841 HydrophobicContact CD1-CD1 4.11Å; T824-L841 HydrophobicContact CG2-CD1 3.98Å; L837-L841 WeakPolarHBondContact O-CB 3.14Å; L837-L841 VanDerWaalsContact O-CG 3.22Å; L837-L841 WeakPolarHBondContact O-CG 3.17Å; L837-L841 PolarHBondContact O-N 2.8Å; S838-L841 PolarHBondContact O-N 3.44Å; S838-L841 VanDerWaalsContact O-N 3.17Å; L841-K843 VanDerWaalsContact C-N 3.35Å; L841-I844 PolarHBondContact O-N 3.38Å; L841-L845 HydrophobicContact CB-CD1 4.34Å; L841-L845 HydrophobicContact CD2-CD1 4.25Å; L841-L845 WeakPolarHBondContact O-CB 3.45Å; L841-L845 WeakPolarHBondContact O-CG 3.24Å; L841-L845 PolarHBondContact O-N 2.95Å; L841-I962 HydrophobicContact CD1-CD1 4.19Å; L841-I962 HydrophobicContact CD2-CD1 4.03Å; L841-I962 HydrophobicContact CD2-CG2 4.13Å; L841-I962 HydrophobicContact CG-CD1 3.94Å |
| 842 | E | 96.3 | Very high | 94.7 | Very high | 84 Ų | 84 | 38.8 Ų | 38.8 | 39% | 0.393 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -57.5 | -49.8 | 172 | -73.4 | 168.1 | -171.3 | 0 | 0 | 110.3 | M817 S838 T839 I844 L845 I846 D847 | M817-E842 HydrophobicContact CE-CG 3.75Å; M817-E842 HydrophobicContact SD-CG 4.11Å; S838-E842 WeakPolarHBondContact O-CG 3.31Å; S838-E842 PolarHBondContact O-N 2.93Å; T839-E842 PolarHBondContact O-N 2.79Å; E842-I844 VanDerWaalsContact C-N 3.33Å; E842-I844 PolarHBondContact O-N 2.61Å; E842-L845 PolarHBondContact O-N 2.95Å; E842-I846 HydrophobicContact CB-CD1 4.25Å; E842-I846 HydrophobicContact CG-CD1 4.05Å; E842-I846 WeakPolarHBondContact O-CA 3.16Å; E842-I846 VanDerWaalsContact O-CB 3.24Å; E842-I846 WeakPolarHBondContact O-CB 2.95Å; E842-I846 PolarHBondContact O-N 3.22Å; E842-D847 PolarHBondContact O-N 2.88Å; E842-D847 VanDerWaalsContact O-N 3.13Å |
| 843 | K | 96.9 | Very high | 94.7 | Very high | 33 Ų | 33 | 38.2 Ų | 38.2 | 14% | 0.143 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.8 | -38.4 | 177.6 | -71.8 | 178.9 | -178 | -49.9 | 0 | 113.3 | T839 C840 L841 D847 R848 N849 E852 A853 | T839-K843 HydrophobicContact CG2-CD 4.3Å; T839-K843 WeakPolarHBondContact O-CB 3.44Å; T839-K843 VanDerWaalsContact O-CG 3.31Å; T839-K843 WeakPolarHBondContact O-CG 3.22Å; T839-K843 PolarHBondContact O-N 2.84Å; C840-K843 PolarHBondContact O-N 2.98Å; L841-K843 VanDerWaalsContact C-N 3.35Å; K843-D847 WeakPolarHBondContact CA-OD2 3.5Å; K843-D847 CarbonylContact O-C 3.59Å; K843-D847 WeakPolarHBondContact O-CB 3.03Å; K843-R848 PolarHBondContact O-N 2.97Å; K843-N849 PolarHBondContact O-N 2.86Å; K843-E852 HydrophobicContact CD-CB 4.4Å; K843-E852 HydrophobicContact CD-CG 4.02Å; K843-E852 IonicContact NZ-OE1 2.78Å; K843-E852 PolarHBondContact NZ-OE1 3.4Å; K843-A853 HydrophobicContact CB-CB 3.84Å |
| 844 | I | 95.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -74.4 | -43.3 | 179.6 | -70.1 | 162.1 | 0 | 0 | 0 | 111.8 | Y588 C840 L841 E842 R848 P850 A853 I962 F963 I966 | Y588-I844 HydrophobicContact CD2-CG2 4.37Å; Y588-I844 HydrophobicContact CE2-CG2 3.97Å; Y588-I844 PolarHBondContact OH-O 3.03Å; C840-I844 WeakPolarHBondContact O-CB 3.35Å; C840-I844 WeakPolarHBondContact O-CD1 3.46Å; C840-I844 WeakPolarHBondContact O-CG1 3.38Å; C840-I844 PolarHBondContact O-N 3.31Å; L841-I844 PolarHBondContact O-N 3.38Å; E842-I844 VanDerWaalsContact C-N 3.33Å; E842-I844 PolarHBondContact O-N 2.61Å; I844-R848 WeakPolarHBondContact O-CA 3.45Å; I844-P850 HydrophobicContact CG1-CB 4.44Å; I844-A853 HydrophobicContact CD1-CB 4.16Å; I844-A853 HydrophobicContact CG1-CB 3.85Å; I844-I962 HydrophobicContact CD1-CG2 3.65Å; I844-F963 HydrophobicContact CD1-CE1 4.11Å; I844-F963 HydrophobicContact CD1-CZ 4.28Å; I844-I966 HydrophobicContact CD1-CD1 3.82Å; I844-I966 HydrophobicContact CG1-CD1 4.24Å; I844-I966 HydrophobicContact CG2-CD1 3.84Å |
| 845 | L | 96.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -97.9 | -39.5 | -167.6 | -60.7 | 173.5 | 0 | 0 | 0 | 113.2 | Y588 P794 L796 A804 L806 M817 L841 E842 | Y588-L845 HydrophobicContact CE2-CD2 4.18Å; P794-L845 HydrophobicContact CB-CD2 4.46Å; P794-L845 VanDerWaalsContact CD-O 3.32Å; P794-L845 WeakPolarHBondContact CD-O 3.47Å; P794-L845 HydrophobicContact CG-CB 4.26Å; P794-L845 HydrophobicContact CG-CD2 3.86Å; P794-L845 WeakPolarHBondContact CG-O 3.18Å; L796-L845 HydrophobicContact CB-CD2 4.35Å; A804-L845 HydrophobicContact CB-CD1 3.84Å; L806-L845 WeakPolarHBondContact CD1-O 3.32Å; L806-L845 HydrophobicContact CD2-CB 4.18Å; L806-L845 HydrophobicContact CG-CB 4.27Å; M817-L845 HydrophobicContact CG-CD1 4.04Å; M817-L845 HydrophobicContact SD-CD1 4.01Å; L841-L845 HydrophobicContact CB-CD1 4.34Å; L841-L845 HydrophobicContact CD2-CD1 4.25Å; L841-L845 WeakPolarHBondContact O-CB 3.45Å; L841-L845 WeakPolarHBondContact O-CG 3.24Å; L841-L845 PolarHBondContact O-N 2.95Å; E842-L845 PolarHBondContact O-N 2.95Å |
| 846 | I | 95.5 | Very high | 95.3 | Very high | 62 Ų | 62 | 42.9 Ų | 42.9 | 32% | 0.318 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -59.7 | 179.9 | -56.9 | 175 | 0 | 0 | 0 | 109.2 | L806 E842 R848 | L806-I846 HydrophobicContact CD1-CG1 4.46Å; L806-I846 HydrophobicContact CD2-CG1 3.73Å; E842-I846 HydrophobicContact CB-CD1 4.25Å; E842-I846 HydrophobicContact CG-CD1 4.05Å; E842-I846 WeakPolarHBondContact O-CA 3.16Å; E842-I846 VanDerWaalsContact O-CB 3.24Å; E842-I846 WeakPolarHBondContact O-CB 2.95Å; E842-I846 PolarHBondContact O-N 3.22Å; I846-R848 PolarHBondContact O-N 2.85Å |
| 847 | D | 95.7 | Very high | 95.4 | Very high | 86 Ų | 86 | 42.8 Ų | 42.8 | 46% | 0.46 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -75 | -12.9 | -176.5 | -52.3 | -27.1 | 0 | 0 | 0 | 112.1 | E842 K843 N849 | E842-D847 PolarHBondContact O-N 2.88Å; E842-D847 VanDerWaalsContact O-N 3.13Å; K843-D847 WeakPolarHBondContact CA-OD2 3.5Å; K843-D847 CarbonylContact O-C 3.59Å; K843-D847 WeakPolarHBondContact O-CB 3.03Å; D847-N849 HydrophobicContact CB-CB 4.42Å; D847-N849 PolarHBondContact O-N 2.59Å |
| 848 | R | 93.5 | Very high | 95.4 | Very high | 102 Ų | 102 | 44.9 Ų | 44.9 | 39% | 0.385 | 22% | 0.221 | S | C | . | . | trans | 53 | 34.7 | -177.6 | -59.5 | -172.2 | -180 | -129.1 | 5.8 | 112.7 | N590 K843 I844 I846 | N590-R848 PolarHBondContact OD1-NH1 2.84Å; K843-R848 PolarHBondContact O-N 2.97Å; I844-R848 WeakPolarHBondContact O-CA 3.45Å; I846-R848 PolarHBondContact O-N 2.85Å | ||
| 849 | N | 94.5 | Very high | 95.5 | Very high | 60 Ų | 60 | 48 Ų | 48 | 32% | 0.321 | 23% | 0.231 | S | C | . | . | trans | -127 | 82.2 | -175.3 | -168.5 | -6.9 | 0 | 0 | 0 | 112.2 | K843 D847 N851 E852 A853 | K843-N849 PolarHBondContact O-N 2.86Å; D847-N849 HydrophobicContact CB-CB 4.42Å; D847-N849 PolarHBondContact O-N 2.59Å; N849-N851 PolarHBondContact O-N 3.12Å; N849-N851 PolarHBondContact OD1-N 3.43Å; N849-E852 HydrophobicContact CB-CB 4.12Å; N849-E852 WeakPolarHBondContact ND2-CB 3.38Å; N849-E852 PolarHBondContact ND2-OE2 2.93Å; N849-E852 PolarHBondContact O-N 3.31Å; N849-E852 PolarHBondContact OD1-N 2.91Å; N849-A853 PolarHBondContact O-N 2.77Å | ||
| 850 | P | 92.2 | Very high | 95.5 | Very high | 28 Ų | 28 | 47 Ų | 47 | 18% | 0.182 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.8 | -29.6 | 177.7 | -25.1 | 34.8 | 0 | 0 | 0 | 114.4 | I844 A853 V854 I966 | I844-P850 HydrophobicContact CG1-CB 4.44Å; P850-A853 WeakPolarHBondContact O-CB 3.45Å; P850-A853 PolarHBondContact O-N 2.75Å; P850-V854 WeakPolarHBondContact O-CG2 3.41Å; P850-V854 PolarHBondContact O-N 2.89Å; P850-I966 HydrophobicContact CB-CG2 3.92Å; P850-I966 HydrophobicContact CG-CG2 4.12Å |
| 851 | N | 93.5 | Very high | 95.5 | Very high | 114 Ų | 114 | 47.1 Ų | 47.1 | 61% | 0.61 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -67.7 | -37.8 | 179.5 | -70 | -29.5 | 0 | 0 | 0 | 111.7 | N849 A853 V854 E855 | N849-N851 PolarHBondContact O-N 3.12Å; N849-N851 PolarHBondContact OD1-N 3.43Å; N851-A853 VanDerWaalsContact C-N 3.31Å; N851-A853 PolarHBondContact O-N 3.27Å; N851-V854 WeakPolarHBondContact O-CB 3.29Å; N851-V854 PolarHBondContact O-N 3.18Å; N851-E855 PolarHBondContact O-N 3.21Å |
| 852 | E | 95.5 | Very high | 95.5 | Very high | 78 Ų | 78 | 48 Ų | 48 | 36% | 0.364 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -66.8 | -35.3 | 175 | -165.7 | -175.3 | 155.6 | 0 | 0 | 111.9 | K843 N849 V854 E855 Y856 | K843-E852 HydrophobicContact CD-CB 4.4Å; K843-E852 HydrophobicContact CD-CG 4.02Å; K843-E852 IonicContact NZ-OE1 2.78Å; K843-E852 PolarHBondContact NZ-OE1 3.4Å; N849-E852 HydrophobicContact CB-CB 4.12Å; N849-E852 WeakPolarHBondContact ND2-CB 3.38Å; N849-E852 PolarHBondContact ND2-OE2 2.93Å; N849-E852 PolarHBondContact O-N 3.31Å; N849-E852 PolarHBondContact OD1-N 2.91Å; E852-V854 VanDerWaalsContact C-N 3.32Å; E852-V854 PolarHBondContact O-N 2.92Å; E852-E855 PolarHBondContact O-N 3.11Å; E852-Y856 WeakPolarHBondContact O-CB 3.21Å; E852-Y856 PolarHBondContact O-N 2.97Å |
| 853 | A | 95.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.6 | -37.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | C840 K843 I844 N849 P850 N851 T857 F963 | C840-A853 HydrophobicContact CB-CB 4.3Å; K843-A853 HydrophobicContact CB-CB 3.84Å; I844-A853 HydrophobicContact CD1-CB 4.16Å; I844-A853 HydrophobicContact CG1-CB 3.85Å; N849-A853 PolarHBondContact O-N 2.77Å; P850-A853 WeakPolarHBondContact O-CB 3.45Å; P850-A853 PolarHBondContact O-N 2.75Å; N851-A853 VanDerWaalsContact C-N 3.31Å; N851-A853 PolarHBondContact O-N 3.27Å; A853-T857 WeakPolarHBondContact O-CB 3.41Å; A853-T857 PolarHBondContact O-N 3.1Å; A853-T857 PolarHBondContact O-OG1 3.42Å; A853-F963 HydrophobicContact CB-CE1 4Å; A853-F963 HydrophobicContact CB-CZ 3.71Å |
| 854 | V | 95.8 | Very high | 95.4 | Very high | 7 Ų | 7 | 44.4 Ų | 44.4 | 4% | 0.042 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.4 | -51.3 | 173.8 | 169.4 | 0 | 0 | 0 | 0 | 110.8 | P850 N851 E852 Y856 T857 K858 F963 L967 I974 L975 | P850-V854 WeakPolarHBondContact O-CG2 3.41Å; P850-V854 PolarHBondContact O-N 2.89Å; N851-V854 WeakPolarHBondContact O-CB 3.29Å; N851-V854 PolarHBondContact O-N 3.18Å; E852-V854 VanDerWaalsContact C-N 3.32Å; E852-V854 PolarHBondContact O-N 2.92Å; V854-Y856 PolarHBondContact O-N 3.43Å; V854-T857 WeakPolarHBondContact O-CB 3.49Å; V854-T857 PolarHBondContact O-N 3.43Å; V854-T857 VanDerWaalsContact O-N 3.15Å; V854-K858 HydrophobicContact CG1-CD 4.42Å; V854-K858 WeakPolarHBondContact O-CG 3.49Å; V854-K858 PolarHBondContact O-N 2.77Å; V854-F963 HydrophobicContact CG2-CD1 4.07Å; V854-F963 HydrophobicContact CG2-CE1 3.61Å; V854-F963 HydrophobicContact CG2-CZ 4.26Å; V854-L967 HydrophobicContact CG2-CD1 3.83Å; V854-I974 HydrophobicContact CG1-CG2 3.71Å; V854-L975 HydrophobicContact CB-CD2 4.33Å; V854-L975 HydrophobicContact CG1-CD2 4.04Å; V854-L975 HydrophobicContact CG2-CD2 4.15Å |
| 855 | E | 96.2 | Very high | 95.3 | Very high | 109 Ų | 109 | 44.5 Ų | 44.5 | 51% | 0.509 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -64.4 | -40.4 | -178.8 | -67.3 | -52.6 | 121.4 | 0 | 0 | 112.3 | N851 E852 T857 K858 Q859 | N851-E855 PolarHBondContact O-N 3.21Å; E852-E855 PolarHBondContact O-N 3.11Å; E855-T857 VanDerWaalsContact C-N 3.33Å; E855-T857 PolarHBondContact O-N 3.21Å; E855-K858 PolarHBondContact O-N 3.05Å; E855-K858 IonicContact OE1-NZ 2.94Å; E855-K858 PolarHBondContact OE1-NZ 3.11Å; E855-Q859 PolarHBondContact O-N 2.96Å |
| 856 | Y | 97 | Very high | 95.1 | Very high | 67 Ų | 67 | 45.2 Ų | 45.2 | 26% | 0.263 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -58.1 | -45 | 171.3 | 171.1 | -101.7 | 0 | 0 | 0 | 111.9 | V836 T839 E852 V854 K858 Q859 V860 | V836-Y856 HydrophobicContact CG1-CE1 4.22Å; T839-Y856 HydrophobicContact CG2-CD1 3.91Å; T839-Y856 HydrophobicContact CG2-CD2 4.17Å; T839-Y856 HydrophobicContact CG2-CE1 3.59Å; T839-Y856 HydrophobicContact CG2-CE2 3.86Å; T839-Y856 HydrophobicContact CG2-CG 4.18Å; E852-Y856 WeakPolarHBondContact O-CB 3.21Å; E852-Y856 PolarHBondContact O-N 2.97Å; V854-Y856 PolarHBondContact O-N 3.43Å; Y856-K858 PolarHBondContact O-N 2.64Å; Y856-Q859 PolarHBondContact O-N 3.27Å; Y856-V860 HydrophobicContact CD2-CG2 4.35Å; Y856-V860 HydrophobicContact CE1-CG2 4.09Å; Y856-V860 HydrophobicContact CE2-CG2 3.83Å; Y856-V860 WeakPolarHBondContact O-CG2 3.42Å; Y856-V860 PolarHBondContact O-N 3.06Å |
| 857 | T | 96 | Very high | 94.7 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.006 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.4 | -44.9 | 177.4 | -60.3 | 0 | 0 | 0 | 0 | 111.4 | C840 A853 V854 E855 Q859 V860 I861 L959 L975 | C840-T857 PolarHBondContact SG-OG1 2.9Å; A853-T857 WeakPolarHBondContact O-CB 3.41Å; A853-T857 PolarHBondContact O-N 3.1Å; A853-T857 PolarHBondContact O-OG1 3.42Å; V854-T857 WeakPolarHBondContact O-CB 3.49Å; V854-T857 PolarHBondContact O-N 3.43Å; V854-T857 VanDerWaalsContact O-N 3.15Å; E855-T857 VanDerWaalsContact C-N 3.33Å; E855-T857 PolarHBondContact O-N 3.21Å; T857-Q859 VanDerWaalsContact C-N 3.33Å; T857-Q859 PolarHBondContact O-N 3.13Å; T857-V860 PolarHBondContact O-N 2.85Å; T857-I861 HydrophobicContact CG2-CD1 3.88Å; T857-I861 HydrophobicContact CG2-CG1 4.47Å; T857-I861 VanDerWaalsContact O-CG1 3.31Å; T857-I861 WeakPolarHBondContact O-CG1 3.35Å; T857-I861 PolarHBondContact O-N 2.86Å; T857-L959 HydrophobicContact CG2-CD1 3.54Å; T857-L959 HydrophobicContact CG2-CD2 3.7Å; T857-L959 HydrophobicContact CG2-CG 4.23Å; T857-L975 HydrophobicContact CG2-CD2 3.97Å |
| 858 | K | 96.1 | Very high | 94.4 | Very high | 44 Ų | 44 | 47 Ų | 47 | 19% | 0.191 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.1 | -42.8 | 177.2 | -68.9 | -179.8 | -177.5 | 163.6 | 0 | 111.9 | V854 E855 Y856 I861 S862 I974 H980 | V854-K858 HydrophobicContact CG1-CD 4.42Å; V854-K858 WeakPolarHBondContact O-CG 3.49Å; V854-K858 PolarHBondContact O-N 2.77Å; E855-K858 PolarHBondContact O-N 3.05Å; E855-K858 IonicContact OE1-NZ 2.94Å; E855-K858 PolarHBondContact OE1-NZ 3.11Å; Y856-K858 PolarHBondContact O-N 2.64Å; K858-I861 PolarHBondContact O-N 2.91Å; K858-S862 PolarHBondContact O-N 2.92Å; K858-I974 VanDerWaalsContact CE-O 3.28Å; K858-I974 WeakPolarHBondContact CE-O 3.34Å; K858-H980 HydrophobicContact CB-CB 4.16Å |
| 859 | Q | 96 | Very high | 94.4 | Very high | 98 Ų | 98 | 43 Ų | 43 | 46% | 0.458 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.5 | -46.4 | 177.3 | -179.1 | 56.4 | 46.4 | 0 | 0 | 111.5 | E855 Y856 T857 I861 S862 D863 | E855-Q859 PolarHBondContact O-N 2.96Å; Y856-Q859 PolarHBondContact O-N 3.27Å; T857-Q859 VanDerWaalsContact C-N 3.33Å; T857-Q859 PolarHBondContact O-N 3.13Å; Q859-I861 PolarHBondContact O-N 2.92Å; Q859-S862 WeakPolarHBondContact O-CB 3.4Å; Q859-S862 PolarHBondContact O-N 2.99Å; Q859-D863 PolarHBondContact NE2-OD1 3.29Å; Q859-D863 PolarHBondContact NE2-OD2 3.45Å; Q859-D863 VanDerWaalsContact O-CG 3.28Å; Q859-D863 PolarHBondContact O-N 3.47Å |
| 860 | V | 96.2 | Very high | 94.1 | Very high | 15 Ų | 15 | 41.5 Ų | 41.5 | 9% | 0.091 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.2 | -37.3 | 178.8 | 177.6 | 0 | 0 | 0 | 0 | 112.1 | L832 V836 Y856 T857 S862 D863 L864 | L832-V860 HydrophobicContact CD1-CG1 3.88Å; V836-V860 HydrophobicContact CG2-CB 4.17Å; V836-V860 HydrophobicContact CG2-CG1 3.54Å; V836-V860 HydrophobicContact CG2-CG2 4.22Å; Y856-V860 HydrophobicContact CD2-CG2 4.35Å; Y856-V860 HydrophobicContact CE1-CG2 4.09Å; Y856-V860 HydrophobicContact CE2-CG2 3.83Å; Y856-V860 WeakPolarHBondContact O-CG2 3.42Å; Y856-V860 PolarHBondContact O-N 3.06Å; T857-V860 PolarHBondContact O-N 2.85Å; V860-S862 VanDerWaalsContact C-N 3.33Å; V860-D863 PolarHBondContact O-N 3.34Å; V860-L864 WeakPolarHBondContact O-CB 3.37Å; V860-L864 PolarHBondContact O-N 3.38Å |
| 861 | I | 96.1 | Very high | 94.1 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.6 | -44.2 | 173.4 | -69.9 | 169.6 | 0 | 0 | 0 | 110.3 | T857 K858 Q859 D863 L864 L865 L951 L959 L975 L976 T981 | T857-I861 HydrophobicContact CG2-CD1 3.88Å; T857-I861 HydrophobicContact CG2-CG1 4.47Å; T857-I861 VanDerWaalsContact O-CG1 3.31Å; T857-I861 WeakPolarHBondContact O-CG1 3.35Å; T857-I861 PolarHBondContact O-N 2.86Å; K858-I861 PolarHBondContact O-N 2.91Å; Q859-I861 PolarHBondContact O-N 2.92Å; I861-D863 VanDerWaalsContact C-N 3.33Å; I861-D863 PolarHBondContact O-N 3.24Å; I861-L864 PolarHBondContact O-N 2.83Å; I861-L865 HydrophobicContact CG2-CD1 3.88Å; I861-L865 HydrophobicContact CG2-CG 4.36Å; I861-L865 WeakPolarHBondContact O-CB 3.44Å; I861-L865 VanDerWaalsContact O-CG 3.27Å; I861-L865 WeakPolarHBondContact O-CG 3.31Å; I861-L865 PolarHBondContact O-N 3.45Å; I861-L951 HydrophobicContact CD1-CD1 3.99Å; I861-L951 HydrophobicContact CG1-CD1 3.89Å; I861-L951 HydrophobicContact CG2-CD1 3.98Å; I861-L951 HydrophobicContact CG2-CD2 4.3Å; I861-L959 HydrophobicContact CD1-CD1 4.44Å; I861-L975 WeakPolarHBondContact CD1-O 3.49Å; I861-L976 HydrophobicContact CD1-CD2 4.17Å; I861-T981 HydrophobicContact CG2-CG2 3.88Å |
| 862 | S | 95.6 | Very high | 93.9 | Very high | 20 Ų | 20 | 35.6 Ų | 35.6 | 14% | 0.14 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.3 | -44 | 174.1 | -177.8 | 0 | 0 | 0 | 0 | 111.3 | K858 Q859 V860 L864 L865 C866 R868 H980 | K858-S862 PolarHBondContact O-N 2.92Å; Q859-S862 WeakPolarHBondContact O-CB 3.4Å; Q859-S862 PolarHBondContact O-N 2.99Å; V860-S862 VanDerWaalsContact C-N 3.33Å; S862-L864 PolarHBondContact O-N 3.22Å; S862-L865 PolarHBondContact O-N 3.12Å; S862-C866 VanDerWaalsContact O-CB 3.23Å; S862-C866 WeakPolarHBondContact O-CB 3.43Å; S862-C866 PolarHBondContact O-N 2.99Å; S862-C866 PolarHBondContact O-SG 2.96Å; S862-R868 PolarHBondContact OG-NH2 3.39Å; S862-H980 WeakPolarHBondContact CA-O 3.42Å |
| 863 | D | 95.2 | Very high | 93.7 | Very high | 39 Ų | 39 | 33.9 Ų | 33.9 | 21% | 0.209 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.9 | -40.7 | 177.8 | -67.6 | -23.7 | 0 | 0 | 0 | 113 | Q859 V860 I861 C866 N867 R868 V869 | Q859-D863 PolarHBondContact NE2-OD1 3.29Å; Q859-D863 PolarHBondContact NE2-OD2 3.45Å; Q859-D863 VanDerWaalsContact O-CG 3.28Å; Q859-D863 PolarHBondContact O-N 3.47Å; V860-D863 PolarHBondContact O-N 3.34Å; I861-D863 VanDerWaalsContact C-N 3.33Å; I861-D863 PolarHBondContact O-N 3.24Å; D863-C866 PolarHBondContact O-N 3.2Å; D863-N867 PolarHBondContact O-N 3.36Å; D863-R868 HydrophobicContact CB-CB 4.09Å; D863-R868 PolarHBondContact O-N 3.46Å; D863-R868 IonicContact OD1-CZ 3.3Å; D863-R868 IonicContact OD1-NE 3.55Å; D863-R868 PolarHBondContact OD1-NE 3.4Å; D863-R868 IonicContact OD1-NH1 3.33Å; D863-R868 IonicContact OD1-NH2 3.5Å; D863-R868 PolarHBondContact OD1-NH2 2.99Å; D863-V869 HydrophobicContact CB-CG2 4.13Å |
| 864 | L | 95.5 | Very high | 93.7 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.4 | -51.6 | 174.3 | 174.4 | 64.7 | 0 | 0 | 0 | 110.4 | L832 V860 I861 S862 C866 N867 V869 L874 T947 L951 L955 | L832-L864 HydrophobicContact CD2-CD1 4.28Å; L832-L864 HydrophobicContact CD2-CD2 4.5Å; V860-L864 WeakPolarHBondContact O-CB 3.37Å; V860-L864 PolarHBondContact O-N 3.38Å; I861-L864 PolarHBondContact O-N 2.83Å; S862-L864 PolarHBondContact O-N 3.22Å; L864-C866 VanDerWaalsContact C-N 3.27Å; L864-C866 PolarHBondContact O-N 3.4Å; L864-N867 PolarHBondContact O-N 2.93Å; L864-N867 VanDerWaalsContact O-N 3.13Å; L864-V869 HydrophobicContact CB-CG2 4.1Å; L864-L874 HydrophobicContact CD1-CD1 4.39Å; L864-L874 HydrophobicContact CD1-CD2 3.86Å; L864-T947 HydrophobicContact CD1-CG2 4.38Å; L864-T947 WeakPolarHBondContact O-CG2 3.37Å; L864-L951 HydrophobicContact CD2-CB 4.36Å; L864-L955 HydrophobicContact CD2-CD1 3.72Å |
| 865 | L | 93.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67 | -28.1 | -177.8 | -68.6 | 178.2 | 0 | 0 | 0 | 113 | I861 S862 N867 L951 T981 K984 T985 | I861-L865 HydrophobicContact CG2-CD1 3.88Å; I861-L865 HydrophobicContact CG2-CG 4.36Å; I861-L865 WeakPolarHBondContact O-CB 3.44Å; I861-L865 VanDerWaalsContact O-CG 3.27Å; I861-L865 WeakPolarHBondContact O-CG 3.31Å; I861-L865 PolarHBondContact O-N 3.45Å; S862-L865 PolarHBondContact O-N 3.12Å; L865-N867 VanDerWaalsContact C-N 3.33Å; L865-L951 HydrophobicContact CD1-CD2 4.45Å; L865-L951 HydrophobicContact CD2-CD2 4.4Å; L865-T981 HydrophobicContact CD1-CG2 4.25Å; L865-K984 HydrophobicContact CB-CG 4.32Å; L865-K984 HydrophobicContact CD2-CD 4.49Å; L865-K984 WeakPolarHBondContact O-CA 3.43Å; L865-T985 PolarHBondContact O-N 3.21Å |
| 866 | C | 91.6 | Very high | 93.3 | Very high | 15 Ų | 15 | 29.8 Ų | 29.8 | 10% | 0.101 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 8.1 | 175 | -63.6 | 0 | 0 | 0 | 0 | 113.9 | S862 D863 L864 R868 T985 | S862-C866 VanDerWaalsContact O-CB 3.23Å; S862-C866 WeakPolarHBondContact O-CB 3.43Å; S862-C866 PolarHBondContact O-N 2.99Å; S862-C866 PolarHBondContact O-SG 2.96Å; D863-C866 PolarHBondContact O-N 3.2Å; L864-C866 VanDerWaalsContact C-N 3.27Å; L864-C866 PolarHBondContact O-N 3.4Å; C866-R868 HydrophobicContact CB-CG 4.11Å; C866-R868 PolarHBondContact O-N 2.99Å; C866-T985 WeakPolarHBondContact O-CB 3.34Å; C866-T985 PolarHBondContact O-OG1 2.95Å |
| 867 | N | 88 | Confident | 92.8 | Very high | 44 Ų | 44 | 27.7 Ų | 27.7 | 24% | 0.235 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 32.2 | -178.3 | -165.1 | 56 | 0 | 0 | 0 | 114.1 | D863 L864 L865 V987 | D863-N867 PolarHBondContact O-N 3.36Å; L864-N867 PolarHBondContact O-N 2.93Å; L864-N867 VanDerWaalsContact O-N 3.13Å; L865-N867 VanDerWaalsContact C-N 3.33Å; N867-V987 HydrophobicContact CB-CG2 4.47Å; N867-V987 WeakPolarHBondContact ND2-CG2 3.46Å |
| 868 | R | 89.6 | Confident | 92.4 | Very high | 143 Ų | 143 | 31.4 Ų | 31.4 | 54% | 0.54 | 15% | 0.153 | S | C | . | . | trans | -93 | -12.4 | 177.4 | -64.8 | -171.9 | -68.8 | -159 | -3.7 | 113.3 | S862 D863 C866 | S862-R868 PolarHBondContact OG-NH2 3.39Å; D863-R868 HydrophobicContact CB-CB 4.09Å; D863-R868 PolarHBondContact O-N 3.46Å; D863-R868 IonicContact OD1-CZ 3.3Å; D863-R868 IonicContact OD1-NE 3.55Å; D863-R868 PolarHBondContact OD1-NE 3.4Å; D863-R868 IonicContact OD1-NH1 3.33Å; D863-R868 IonicContact OD1-NH2 3.5Å; D863-R868 PolarHBondContact OD1-NH2 2.99Å; C866-R868 HydrophobicContact CB-CG 4.11Å; C866-R868 PolarHBondContact O-N 2.99Å | ||
| 869 | V | 91.7 | Very high | 91.8 | Very high | 17 Ų | 17 | 32 Ų | 32 | 10% | 0.103 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -75.4 | 134.5 | 174.1 | 176.6 | 0 | 0 | 0 | 0 | 110.3 | L832 D863 L864 Q873 L874 | L832-V869 HydrophobicContact CD1-CG1 4.02Å; L832-V869 HydrophobicContact CD1-CG2 4.36Å; L832-V869 HydrophobicContact CD2-CG1 4.22Å; L832-V869 HydrophobicContact CD2-CG2 4.48Å; D863-V869 HydrophobicContact CB-CG2 4.13Å; L864-V869 HydrophobicContact CB-CG2 4.1Å; V869-Q873 HydrophobicContact CG1-CB 3.74Å; V869-Q873 HydrophobicContact CG1-CG 4.39Å; V869-L874 HydrophobicContact CG1-CD1 4.29Å; V869-L874 HydrophobicContact CG1-CD2 3.95Å; V869-L874 HydrophobicContact CG1-CG 4.01Å |
| 870 | D | 90.2 | Very high | 91.2 | Very high | 28 Ų | 28 | 27.6 Ų | 27.6 | 15% | 0.15 | 14% | 0.135 | C | C | . | . | trans | -66.8 | 142.5 | 176.5 | -176.3 | 67.3 | 0 | 0 | 0 | 111.9 | S872 Q873 | D870-S872 PolarHBondContact O-N 3.45Å; D870-S872 WeakPolarHBondContact OD2-CB 3.2Å; D870-S872 PolarHBondContact OD2-N 3.35Å; D870-S872 PolarHBondContact OD2-OG 3.1Å; D870-Q873 HydrophobicContact CB-CG 4.45Å; D870-Q873 WeakPolarHBondContact O-CB 3.4Å; D870-Q873 PolarHBondContact O-N 3.01Å | ||
| 871 | I | 91.1 | Very high | 90.4 | Very high | 10 Ų | 10 | 29.8 Ų | 29.8 | 5% | 0.051 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -61.1 | -31.5 | -176.1 | -167.9 | 169.2 | 0 | 0 | 0 | 112.2 | Q873 L874 I875 V918 P935 V938 I945 Y1072 | I871-Q873 PolarHBondContact O-N 2.79Å; I871-Q873 VanDerWaalsContact O-N 3.15Å; I871-L874 PolarHBondContact O-N 3.02Å; I871-I875 WeakPolarHBondContact O-CG1 3.45Å; I871-I875 PolarHBondContact O-N 3.45Å; I871-V918 HydrophobicContact CD1-CG1 4.42Å; I871-V918 HydrophobicContact CG1-CG1 4Å; I871-P935 HydrophobicContact CD1-CB 4.27Å; I871-P935 WeakPolarHBondContact CD1-O 3.22Å; I871-V938 HydrophobicContact CD1-CB 4.19Å; I871-V938 HydrophobicContact CD1-CG1 3.77Å; I871-I945 HydrophobicContact CD1-CD1 4.27Å; I871-I945 HydrophobicContact CG1-CD1 4.05Å; I871-Y1072 HydrophobicContact CG2-CD1 3.86Å; I871-Y1072 HydrophobicContact CG2-CG 4.08Å |
| 872 | S | 89.4 | Confident | 89.5 | Confident | 9 Ų | 9 | 33.8 Ų | 33.8 | 6% | 0.063 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -59 | -28.2 | 176.5 | 69.6 | 0 | 0 | 0 | 0 | 112.4 | P831 D870 L874 | P831-S872 WeakPolarHBondContact CG-O 3.2Å; D870-S872 PolarHBondContact O-N 3.45Å; D870-S872 WeakPolarHBondContact OD2-CB 3.2Å; D870-S872 PolarHBondContact OD2-N 3.35Å; D870-S872 PolarHBondContact OD2-OG 3.1Å; S872-L874 VanDerWaalsContact C-N 3.27Å; S872-L874 PolarHBondContact O-N 2.89Å |
| 873 | Q | 92.1 | Very high | 88.3 | Confident | 42 Ų | 42 | 35.9 Ų | 35.9 | 20% | 0.196 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -77.4 | -13.1 | 177.8 | -59.3 | -61.1 | -53.2 | 0 | 0 | 113.3 | C830 P831 L832 N835 V869 D870 I871 | C830-Q873 VanDerWaalsContact CB-O 3.29Å; C830-Q873 WeakPolarHBondContact CB-O 3.48Å; C830-Q873 PolarHBondContact SG-O 2.88Å; C830-Q873 VanDerWaalsContact SG-O 3.35Å; P831-Q873 WeakPolarHBondContact CD-O 3.34Å; L832-Q873 HydrophobicContact CB-CB 4.1Å; L832-Q873 VanDerWaalsContact CB-O 3.26Å; L832-Q873 WeakPolarHBondContact CB-O 3.39Å; L832-Q873 PolarHBondContact N-O 2.78Å; N835-Q873 PolarHBondContact ND2-OE1 2.97Å; V869-Q873 HydrophobicContact CG1-CB 3.74Å; V869-Q873 HydrophobicContact CG1-CG 4.39Å; D870-Q873 HydrophobicContact CB-CG 4.45Å; D870-Q873 WeakPolarHBondContact O-CB 3.4Å; D870-Q873 PolarHBondContact O-N 3.01Å; I871-Q873 PolarHBondContact O-N 2.79Å; I871-Q873 VanDerWaalsContact O-N 3.15Å |
| 874 | L | 94.4 | Very high | 87 | Confident | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -106.3 | -3.4 | -175.4 | -56.8 | 177.8 | 0 | 0 | 0 | 112.4 | L832 L864 V869 I871 S872 I876 V918 I945 Y950 | L832-L874 HydrophobicContact CB-CD2 4.42Å; L832-L874 HydrophobicContact CD2-CD2 3.84Å; L864-L874 HydrophobicContact CD1-CD1 4.39Å; L864-L874 HydrophobicContact CD1-CD2 3.86Å; V869-L874 HydrophobicContact CG1-CD1 4.29Å; V869-L874 HydrophobicContact CG1-CD2 3.95Å; V869-L874 HydrophobicContact CG1-CG 4.01Å; I871-L874 PolarHBondContact O-N 3.02Å; S872-L874 VanDerWaalsContact C-N 3.27Å; S872-L874 PolarHBondContact O-N 2.89Å; L874-I876 PolarHBondContact O-N 3.45Å; L874-V918 HydrophobicContact CB-CG1 4.35Å; L874-I945 HydrophobicContact CD1-CD1 3.66Å; L874-I945 HydrophobicContact CD1-CG2 4.12Å; L874-Y950 HydrophobicContact CB-CE1 3.87Å; L874-Y950 HydrophobicContact CB-CE2 4.49Å; L874-Y950 HydrophobicContact CD2-CD1 3.91Å; L874-Y950 HydrophobicContact CD2-CE1 4.12Å; L874-Y950 HydrophobicContact CD2-CG 4.18Å; L874-Y950 WeakPolarHBondContact O-CE1 3.45Å; L874-Y950 VanDerWaalsContact O-CZ 3.27Å; L874-Y950 PolarHBondContact O-OH 3Å |
| 875 | I | 91.9 | Very high | 85.6 | Confident | 25 Ų | 25 | 47.2 Ų | 47.2 | 13% | 0.128 | 23% | 0.229 | C | C | . | . | trans | -68.5 | 119.3 | 179.3 | -58.5 | 178.4 | 0 | 0 | 0 | 110.1 | C830 P831 I871 P916 V918 P935 Y1072 | C830-I875 WeakPolarHBondContact CA-O 3.41Å; P831-I875 VanDerWaalsContact CD-O 3.24Å; P831-I875 WeakPolarHBondContact CD-O 3.39Å; I871-I875 WeakPolarHBondContact O-CG1 3.45Å; I871-I875 PolarHBondContact O-N 3.45Å; I875-P916 HydrophobicContact CG2-CB 3.61Å; I875-V918 HydrophobicContact CG1-CG1 4.22Å; I875-P935 HydrophobicContact CD1-CB 4.01Å; I875-P935 HydrophobicContact CD1-CG 3.93Å; I875-P935 HydrophobicContact CG1-CB 4.09Å; I875-P935 HydrophobicContact CG1-CG 3.81Å; I875-P935 HydrophobicContact CG2-CG 4.25Å; I875-Y1072 HydrophobicContact CD1-CD2 4.41Å; I875-Y1072 HydrophobicContact CD1-CE1 4.13Å; I875-Y1072 HydrophobicContact CD1-CE2 3.66Å | ||
| 876 | I | 91.5 | Very high | 84.4 | Confident | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 141.2 | 168.7 | -58.4 | 171.7 | 0 | 0 | 0 | 107.5 | D828 C830 L874 P916 Y917 I919 Y949 Y950 Q954 | D828-I876 WeakPolarHBondContact O-CG2 3.32Å; C830-I876 HydrophobicContact CB-CG1 4.04Å; L874-I876 PolarHBondContact O-N 3.45Å; I876-P916 CarbonylContact O-C 3.55Å; I876-P916 WeakPolarHBondContact O-CA 3.42Å; I876-Y917 HydrophobicContact CB-CD2 4.4Å; I876-Y917 HydrophobicContact CB-CE1 4.18Å; I876-Y917 HydrophobicContact CB-CE2 4.01Å; I876-Y917 HydrophobicContact CD1-CE2 4.38Å; I876-Y917 HydrophobicContact CG2-CE1 3.89Å; I876-Y917 HydrophobicContact CG2-CE2 4.09Å; I876-Y917 VanDerWaalsContact CG2-OH 3.31Å; I876-Y917 WeakPolarHBondContact CG2-OH 3.46Å; I876-Y917 PolarHBondContact N-O 3.38Å; I876-Y917 VanDerWaalsContact O-CD1 3.3Å; I876-Y917 WeakPolarHBondContact O-CD1 3.5Å; I876-Y917 PolarHBondContact O-N 3.11Å; I876-I919 HydrophobicContact CD1-CG1 4.42Å; I876-Y949 HydrophobicContact CD1-CE1 4.01Å; I876-Y950 HydrophobicContact CD1-CE1 4.15Å; I876-Y950 HydrophobicContact CG1-CE1 4.33Å; I876-Q954 HydrophobicContact CD1-CG 4.41Å |
| 877 | S | 87.3 | Confident | 83.4 | Confident | 23 Ų | 23 | 51.5 Ų | 51.5 | 16% | 0.161 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 135.2 | -179.8 | 174.3 | 0 | 0 | 0 | 0 | 110.6 | R914 V915 | S877-R914 PolarHBondContact O-NH2 2.9Å; S877-R914 WeakPolarHBondContact OG-CB 3.44Å; S877-R914 PolarHBondContact OG-NE 2.97Å; S877-V915 WeakPolarHBondContact CA-O 3.45Å |
| 878 | K | 87.4 | Confident | 82.4 | Confident | 80 Ų | 80 | 55.5 Ų | 55.5 | 35% | 0.348 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 144.7 | 175.4 | -73.6 | -169.3 | 176.3 | -180 | 0 | 111.8 | H893 R914 V915 Y917 | K878-H893 HydrophobicContact CB-CB 4.04Å; K878-R914 CarbonylContact O-C 3.57Å; K878-R914 WeakPolarHBondContact O-CA 3.45Å; K878-V915 PolarHBondContact N-O 3.27Å; K878-V915 PolarHBondContact O-N 3.33Å; K878-Y917 HydrophobicContact CB-CE1 4.36Å; K878-Y917 HydrophobicContact CG-CE1 4.32Å |
| 879 | E | 83.6 | Confident | 81.9 | Confident | 56 Ų | 56 | 51.5 Ų | 51.5 | 26% | 0.262 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 133.4 | -178.9 | -173.6 | 176 | -176.4 | 0 | 0 | 112.3 | R439 T881 H893 D913 R914 | R439-E879 IonicContact CZ-OE1 3.64Å; R439-E879 IonicContact NE-OE1 3.11Å; R439-E879 IonicContact NH2-OE1 3.66Å; R439-E879 PolarHBondContact NH2-OE1 2.86Å; E879-T881 HydrophobicContact CB-CG2 4.32Å; E879-T881 HydrophobicContact CG-CG2 4.09Å; E879-T881 PolarHBondContact O-N 3.35Å; E879-H893 PolarHBondContact O-NE2 3.26Å; E879-D913 CarbonylContact C-O 3.56Å; E879-D913 WeakPolarHBondContact CA-O 3.22Å; E879-R914 HydrophobicContact CB-CG 4.16Å |
| 880 | L | 82.3 | Confident | 81.6 | Confident | 5 Ų | 5 | 57 Ų | 57 | 3% | 0.026 | 30% | 0.298 | C | S | . | . | trans | -77.5 | 98.6 | 171 | -168 | 69.1 | 0 | 0 | 0 | 109.3 | Y887 V894 Q910 G912 D913 | L880-Y887 HydrophobicContact CD1-CE2 4.03Å; L880-V894 HydrophobicContact CD1-CG2 3.97Å; L880-Q910 WeakPolarHBondContact CD2-O 3.34Å; L880-G912 PolarHBondContact O-N 3.43Å; L880-D913 PolarHBondContact N-O 3.13Å | ||
| 881 | T | 79.2 | Confident | 81.5 | Confident | 62 Ų | 62 | 59.1 Ų | 59.1 | 38% | 0.38 | 31% | 0.307 | S | S | . | . | trans | -95.7 | -17.1 | -171.9 | 43.1 | 0 | 0 | 0 | 0 | 114.8 | E879 Y887 | E879-T881 HydrophobicContact CB-CG2 4.32Å; E879-T881 HydrophobicContact CG-CG2 4.09Å; E879-T881 PolarHBondContact O-N 3.35Å; T881-Y887 PolarHBondContact N-OH 3.43Å; T881-Y887 PolarHBondContact OG1-OH 2.9Å | ||
| 882 | K | 77.5 | Confident | 81.5 | Confident | 85 Ų | 85 | 59.4 Ų | 59.4 | 37% | 0.37 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -135.4 | 162.2 | -179.4 | -53.3 | -177.1 | 174.6 | -173.2 | 0 | 110.5 | E886 Y887 L911 | K882-E886 HydrophobicContact CB-CB 3.91Å; K882-E886 HydrophobicContact CD-CB 4.05Å; K882-Y887 HydrophobicContact CB-CD1 4.42Å; K882-Y887 HydrophobicContact CB-CD2 3.92Å; K882-Y887 HydrophobicContact CB-CE1 4.06Å; K882-Y887 HydrophobicContact CB-CE2 3.55Å; K882-Y887 HydrophobicContact CB-CG 4.35Å; K882-Y887 HydrophobicContact CD-CD1 4.04Å; K882-Y887 HydrophobicContact CD-CE1 4.04Å; K882-Y887 HydrophobicContact CD-CG 4.42Å; K882-Y887 HydrophobicContact CG-CD1 4.49Å; K882-Y887 HydrophobicContact CG-CE1 4.04Å; K882-Y887 HydrophobicContact CG-CE2 4.42Å; K882-Y887 PolarHBondContact N-OH 2.62Å; K882-Y887 WeakPolarHBondContact O-CE2 3.32Å; K882-L911 VanDerWaalsContact C-CD1 3.42Å; K882-L911 WeakPolarHBondContact O-CD1 3.47Å |
| 883 | T | 70.8 | Confident | 81.5 | Confident | 63 Ų | 63 | 59.2 Ų | 59.2 | 39% | 0.387 | 31% | 0.309 | S | S | . | . | trans | -73.3 | 155.9 | 169.2 | 60.8 | 0 | 0 | 0 | 0 | 110.1 | K885 E886 | T883-K885 PolarHBondContact O-N 3.02Å; T883-E886 PolarHBondContact O-N 2.97Å; T883-E886 WeakPolarHBondContact OG1-CG 3.47Å | ||
| 884 | D | 67.4 | Low | 81.4 | Confident | 73 Ų | 73 | 57.7 Ų | 57.7 | 39% | 0.39 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | -31 | -173.9 | -61.9 | -29.2 | 0 | 0 | 0 | 113.4 | R901 | D884-R901 IonicContact OD2-NH1 2.76Å; D884-R901 PolarHBondContact OD2-NH1 3.48Å |
| 885 | K | 66.4 | Low | 81.2 | Confident | 207 Ų | 207 | 60 Ų | 60 | 90% | 0.9 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -18.9 | -179.4 | -64.6 | -177 | 179.8 | 178.5 | 0 | 114.6 | T883 | T883-K885 PolarHBondContact O-N 3.02Š|
| 886 | E | 68.2 | Low | 81.2 | Confident | 76 Ų | 76 | 58.8 Ų | 58.8 | 36% | 0.355 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -8 | -173 | -70.7 | 176.9 | 179.3 | 0 | 0 | 113.6 | R438 K882 T883 S888 | R438-E886 IonicContact CZ-OE1 3.63Å; R438-E886 IonicContact CZ-OE2 2.67Å; R438-E886 IonicContact NH1-OE1 2.89Å; R438-E886 PolarHBondContact NH1-OE1 3.45Å; R438-E886 IonicContact NH1-OE2 3.98Å; R438-E886 PolarHBondContact NH1-OE2 2.82Å; R438-E886 IonicContact NH2-OE1 3.85Å; K882-E886 HydrophobicContact CB-CB 3.91Å; K882-E886 HydrophobicContact CD-CB 4.05Å; T883-E886 PolarHBondContact O-N 2.97Å; T883-E886 WeakPolarHBondContact OG1-CG 3.47Å; E886-S888 PolarHBondContact O-N 3.32Å |
| 887 | Y | 70.8 | Confident | 81.1 | Confident | 29 Ų | 29 | 58.7 Ų | 58.7 | 11% | 0.114 | 31% | 0.307 | C | S | . | . | trans | -79.7 | 115.8 | 175 | -76 | -74.1 | 0 | 0 | 0 | 110.6 | L880 T881 K882 A889 V894 | L880-Y887 HydrophobicContact CD1-CE2 4.03Å; T881-Y887 PolarHBondContact N-OH 3.43Å; T881-Y887 PolarHBondContact OG1-OH 2.9Å; K882-Y887 HydrophobicContact CB-CD1 4.42Å; K882-Y887 HydrophobicContact CB-CD2 3.92Å; K882-Y887 HydrophobicContact CB-CE1 4.06Å; K882-Y887 HydrophobicContact CB-CE2 3.55Å; K882-Y887 HydrophobicContact CB-CG 4.35Å; K882-Y887 HydrophobicContact CD-CD1 4.04Å; K882-Y887 HydrophobicContact CD-CE1 4.04Å; K882-Y887 HydrophobicContact CD-CG 4.42Å; K882-Y887 HydrophobicContact CG-CD1 4.49Å; K882-Y887 HydrophobicContact CG-CE1 4.04Å; K882-Y887 HydrophobicContact CG-CE2 4.42Å; K882-Y887 PolarHBondContact N-OH 2.62Å; K882-Y887 WeakPolarHBondContact O-CE2 3.32Å; Y887-A889 VanDerWaalsContact C-N 3.29Å; Y887-A889 PolarHBondContact O-N 3.34Å; Y887-V894 HydrophobicContact CD1-CG2 4.32Å; Y887-V894 HydrophobicContact CD2-CB 4.41Å; Y887-V894 HydrophobicContact CD2-CG1 3.77Å; Y887-V894 HydrophobicContact CD2-CG2 3.75Å; Y887-V894 HydrophobicContact CE1-CG2 4.09Å; Y887-V894 HydrophobicContact CE2-CB 4.41Å; Y887-V894 HydrophobicContact CE2-CG1 4.03Å; Y887-V894 HydrophobicContact CE2-CG2 3.44Å; Y887-V894 VanDerWaalsContact CE2-CG2 3.44Å; Y887-V894 HydrophobicContact CG-CG1 4.49Å; Y887-V894 HydrophobicContact CG-CG2 4.17Å | ||
| 888 | S | 67.2 | Low | 81.1 | Confident | 129 Ų | 129 | 59 Ų | 59 | 90% | 0.902 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -70.1 | -24.8 | 175.9 | 51.6 | 0 | 0 | 0 | 0 | 113.6 | E886 | E886-S888 PolarHBondContact O-N 3.32Š|
| 889 | A | 79.1 | Confident | 81.3 | Confident | 58 Ų | 58 | 58 Ų | 58 | 48% | 0.479 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -128.1 | 140.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y887 Q891 | Y887-A889 VanDerWaalsContact C-N 3.29Å; Y887-A889 PolarHBondContact O-N 3.34Å; A889-Q891 WeakPolarHBondContact O-CG 3.47Å; A889-Q891 PolarHBondContact O-N 3.3Å |
| 890 | K | 85 | Confident | 81.5 | Confident | 132 Ų | 132 | 56 Ų | 56 | 57% | 0.574 | 30% | 0.295 | S | S | * | . | trans | -66.6 | 117.5 | 175.7 | -64.6 | -169.5 | 172.5 | -169.8 | 0 | 110.3 | E895 Y929 | K890-E895 HydrophobicContact CB-CG 4.16Å; K890-E895 WeakPolarHBondContact CD-OE1 3.38Å; K890-E895 WeakPolarHBondContact CG-OE1 3.26Å; K890-Y929 HydrophobicContact CB-CD1 3.98Å; K890-Y929 HydrophobicContact CB-CD2 4.03Å; K890-Y929 HydrophobicContact CB-CE1 4.07Å; K890-Y929 HydrophobicContact CB-CE2 4.12Å; K890-Y929 HydrophobicContact CB-CG 3.98Å; K890-Y929 HydrophobicContact CD-CD2 4.29Å; K890-Y929 HydrophobicContact CD-CE2 3.72Å | ||
| 891 | Q | 88.2 | Confident | 81.7 | Confident | 74 Ų | 74 | 60.2 Ų | 60.2 | 35% | 0.346 | 31% | 0.311 | S | S | . | . | trans | -112.1 | 148.1 | 178.1 | -55.6 | -164.8 | 37.1 | 0 | 0 | 110.8 | A889 H893 V894 E895 | A889-Q891 WeakPolarHBondContact O-CG 3.47Å; A889-Q891 PolarHBondContact O-N 3.3Å; Q891-H893 PolarHBondContact O-N 3.18Å; Q891-H893 PolarHBondContact OE1-CE1 2.95Å; Q891-V894 HydrophobicContact CB-CB 4.48Å; Q891-V894 HydrophobicContact CB-CG2 4.03Å; Q891-V894 PolarHBondContact O-N 3.47Å; Q891-E895 PolarHBondContact O-N 3.32Å | ||
| 892 | A | 91.1 | Very high | 81.9 | Confident | 15 Ų | 15 | 66.1 Ų | 66.1 | 12% | 0.124 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -50.9 | -53 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | V894 L896 Y917 A932 | A892-V894 VanDerWaalsContact C-N 3.34Å; A892-V894 PolarHBondContact O-N 3.48Å; A892-L896 VanDerWaalsContact O-CB 3.25Å; A892-L896 WeakPolarHBondContact O-CB 3.29Å; A892-L896 PolarHBondContact O-N 3.49Å; A892-Y917 HydrophobicContact CB-CD2 4.42Å; A892-Y917 HydrophobicContact CB-CE2 3.81Å; A892-A932 HydrophobicContact CB-CB 3.7Å |
| 893 | H | 89.6 | Confident | 82.3 | Confident | 6 Ų | 6 | 67.1 Ų | 67.1 | 3% | 0.028 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -67.4 | -31.4 | -178.8 | 63 | -76.6 | 0 | 0 | 0 | 113.5 | K878 E879 Q891 A897 V915 Y917 | K878-H893 HydrophobicContact CB-CB 4.04Å; E879-H893 PolarHBondContact O-NE2 3.26Å; Q891-H893 PolarHBondContact O-N 3.18Å; Q891-H893 PolarHBondContact OE1-CE1 2.95Å; H893-A897 VanDerWaalsContact O-CB 3.28Å; H893-A897 WeakPolarHBondContact O-CB 3.38Å; H893-A897 PolarHBondContact O-N 2.88Å; H893-V915 HydrophobicContact CB-CB 3.94Å; H893-V915 HydrophobicContact CB-CG1 4.45Å; H893-V915 HydrophobicContact CB-CG2 4.21Å; H893-Y917 HydrophobicContact CB-CD1 4.29Å; H893-Y917 HydrophobicContact CB-CE1 3.98Å |
| 894 | V | 89.6 | Confident | 82.6 | Confident | 10 Ų | 10 | 66.7 Ų | 66.7 | 6% | 0.061 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -73 | -50.3 | 179.3 | -178.5 | 0 | 0 | 0 | 0 | 110.2 | L880 Y887 Q891 A892 L896 A897 A898 | L880-V894 HydrophobicContact CD1-CG2 3.97Å; Y887-V894 HydrophobicContact CD1-CG2 4.32Å; Y887-V894 HydrophobicContact CD2-CB 4.41Å; Y887-V894 HydrophobicContact CD2-CG1 3.77Å; Y887-V894 HydrophobicContact CD2-CG2 3.75Å; Y887-V894 HydrophobicContact CE1-CG2 4.09Å; Y887-V894 HydrophobicContact CE2-CB 4.41Å; Y887-V894 HydrophobicContact CE2-CG1 4.03Å; Y887-V894 HydrophobicContact CE2-CG2 3.44Å; Y887-V894 VanDerWaalsContact CE2-CG2 3.44Å; Y887-V894 HydrophobicContact CG-CG1 4.49Å; Y887-V894 HydrophobicContact CG-CG2 4.17Å; Q891-V894 HydrophobicContact CB-CB 4.48Å; Q891-V894 HydrophobicContact CB-CG2 4.03Å; Q891-V894 PolarHBondContact O-N 3.47Å; A892-V894 VanDerWaalsContact C-N 3.34Å; A892-V894 PolarHBondContact O-N 3.48Å; V894-L896 VanDerWaalsContact C-N 3.29Å; V894-L896 PolarHBondContact O-N 3.3Å; V894-A897 PolarHBondContact O-N 2.9Å; V894-A898 PolarHBondContact O-N 3.49Å |
| 895 | E | 90.8 | Very high | 82.8 | Confident | 50 Ų | 50 | 66.8 Ų | 66.8 | 23% | 0.234 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.2 | -36.4 | 177.9 | -70 | -72.2 | 157.8 | 0 | 0 | 111.4 | K890 Q891 R899 Y929 | K890-E895 HydrophobicContact CB-CG 4.16Å; K890-E895 WeakPolarHBondContact CD-OE1 3.38Å; K890-E895 WeakPolarHBondContact CG-OE1 3.26Å; Q891-E895 PolarHBondContact O-N 3.32Å; E895-R899 WeakPolarHBondContact O-CG 3.48Å; E895-R899 PolarHBondContact O-N 2.81Å; E895-R899 PolarHBondContact O-NH1 3.28Å; E895-Y929 HydrophobicContact CG-CD2 3.95Å; E895-Y929 HydrophobicContact CG-CG 4.43Å |
| 896 | L | 92.3 | Very high | 82.9 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.2 | -46.8 | 172.7 | 179.6 | 60.7 | 0 | 0 | 0 | 111.6 | A892 V894 A898 R899 M900 V915 Y917 A932 E933 | A892-L896 VanDerWaalsContact O-CB 3.25Å; A892-L896 WeakPolarHBondContact O-CB 3.29Å; A892-L896 PolarHBondContact O-N 3.49Å; V894-L896 VanDerWaalsContact C-N 3.29Å; V894-L896 PolarHBondContact O-N 3.3Å; L896-A898 PolarHBondContact O-N 3.16Å; L896-R899 CarbonylContact O-C 3.44Å; L896-R899 WeakPolarHBondContact O-CA 3.2Å; L896-R899 WeakPolarHBondContact O-CB 3.38Å; L896-R899 PolarHBondContact O-N 3.33Å; L896-M900 HydrophobicContact CD1-CG 4.03Å; L896-M900 HydrophobicContact CD1-SD 4.37Å; L896-M900 HydrophobicContact CD2-SD 4.28Å; L896-M900 HydrophobicContact CG-CG 4.1Å; L896-M900 HydrophobicContact CG-SD 3.87Å; L896-M900 WeakPolarHBondContact O-CG 3.3Å; L896-M900 PolarHBondContact O-N 2.7Å; L896-V915 HydrophobicContact CD2-CG1 4.11Å; L896-V915 HydrophobicContact CG-CG1 4.46Å; L896-Y917 HydrophobicContact CD2-CG 4.36Å; L896-A932 HydrophobicContact CB-CB 4.4Å; L896-E933 WeakPolarHBondContact CD1-OE1 3.09Å |
| 897 | A | 89.1 | Confident | 83 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -57.3 | -40.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | H893 V894 M900 R901 P909 V915 | H893-A897 VanDerWaalsContact O-CB 3.28Å; H893-A897 WeakPolarHBondContact O-CB 3.38Å; H893-A897 PolarHBondContact O-N 2.88Å; V894-A897 PolarHBondContact O-N 2.9Å; A897-M900 PolarHBondContact O-N 3.1Å; A897-R901 WeakPolarHBondContact O-CB 3.49Å; A897-R901 PolarHBondContact O-N 2.86Å; A897-P909 HydrophobicContact CB-CG 4.41Å; A897-V915 HydrophobicContact CB-CG2 4.31Å |
| 898 | A | 88.5 | Confident | 83.3 | Confident | 28 Ų | 28 | 54.7 Ų | 54.7 | 23% | 0.231 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.1 | -39.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V894 L896 K902 | V894-A898 PolarHBondContact O-N 3.49Å; L896-A898 PolarHBondContact O-N 3.16Å; A898-K902 WeakPolarHBondContact O-CG 3.29Å; A898-K902 PolarHBondContact O-N 2.69Å; A898-K902 VanDerWaalsContact O-N 3.09Å |
| 899 | R | 90.5 | Very high | 84 | Confident | 59 Ų | 59 | 49.2 Ų | 49.2 | 22% | 0.223 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.6 | -40.7 | 173.2 | -76.4 | -167.2 | -64.6 | -81 | 5.8 | 112.6 | E895 L896 K902 R903 Y929 A932 | E895-R899 WeakPolarHBondContact O-CG 3.48Å; E895-R899 PolarHBondContact O-N 2.81Å; E895-R899 PolarHBondContact O-NH1 3.28Å; L896-R899 CarbonylContact O-C 3.44Å; L896-R899 WeakPolarHBondContact O-CA 3.2Å; L896-R899 WeakPolarHBondContact O-CB 3.38Å; L896-R899 PolarHBondContact O-N 3.33Å; R899-K902 PolarHBondContact O-N 2.92Å; R899-R903 WeakPolarHBondContact O-CG 3.17Å; R899-R903 PolarHBondContact O-N 3.14Å; R899-R903 PolarHBondContact O-NE 3.27Å; R899-Y929 PolarHBondContact NH1-O 3.05Å; R899-Y929 PolarHBondContact NH2-O 3.08Å; R899-Y929 VanDerWaalsContact NH2-O 3.17Å; R899-A932 PolarHBondContact NH2-O 3.45Å |
| 900 | M | 88 | Confident | 83.8 | Confident | 16 Ų | 16 | 52.6 Ų | 52.6 | 8% | 0.079 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.7 | -50.4 | 174.5 | -69.9 | 172.7 | 75.3 | 0 | 0 | 109.6 | L896 A897 K902 R903 D904 P909 V915 | L896-M900 HydrophobicContact CD1-CG 4.03Å; L896-M900 HydrophobicContact CD1-SD 4.37Å; L896-M900 HydrophobicContact CD2-SD 4.28Å; L896-M900 HydrophobicContact CG-CG 4.1Å; L896-M900 HydrophobicContact CG-SD 3.87Å; L896-M900 WeakPolarHBondContact O-CG 3.3Å; L896-M900 PolarHBondContact O-N 2.7Å; A897-M900 PolarHBondContact O-N 3.1Å; M900-K902 VanDerWaalsContact C-N 3.26Å; M900-K902 PolarHBondContact O-N 3.3Å; M900-R903 CarbonylContact O-C 3.57Å; M900-R903 WeakPolarHBondContact O-CA 3.35Å; M900-R903 WeakPolarHBondContact O-CB 3.4Å; M900-R903 PolarHBondContact O-N 2.89Å; M900-D904 CarbonylContact O-C 3.53Å; M900-D904 PolarHBondContact O-N 3.23Å; M900-P909 HydrophobicContact CE-CG 4.26Å; M900-P909 HydrophobicContact SD-CG 4.21Å; M900-V915 HydrophobicContact SD-CG1 4.25Å |
| 901 | R | 85.6 | Confident | 83.3 | Confident | 93 Ų | 93 | 48.9 Ų | 48.9 | 35% | 0.351 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -58.3 | -34.3 | 177.2 | -165.6 | 177.5 | -65.7 | 140.3 | 3.1 | 114 | D884 A897 A905 A908 P909 | D884-R901 IonicContact OD2-NH1 2.76Å; D884-R901 PolarHBondContact OD2-NH1 3.48Å; A897-R901 WeakPolarHBondContact O-CB 3.49Å; A897-R901 PolarHBondContact O-N 2.86Å; R901-A905 HydrophobicContact CG-CB 4.36Å; R901-A905 PolarHBondContact O-N 3.07Å; R901-A908 HydrophobicContact CB-CB 3.69Å; R901-A908 HydrophobicContact CG-CB 4.01Å; R901-P909 PolarHBondContact NH2-O 2.85Å |
| 902 | K | 85.4 | Confident | 82.7 | Confident | 186 Ų | 186 | 45.5 Ų | 45.5 | 81% | 0.809 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -71.5 | -32.7 | 173.5 | -74.9 | 177.9 | -177.2 | -177.4 | 0 | 113.2 | A898 R899 M900 | A898-K902 WeakPolarHBondContact O-CG 3.29Å; A898-K902 PolarHBondContact O-N 2.69Å; A898-K902 VanDerWaalsContact O-N 3.09Å; R899-K902 PolarHBondContact O-N 2.92Å; M900-K902 VanDerWaalsContact C-N 3.26Å; M900-K902 PolarHBondContact O-N 3.3Å |
| 903 | R | 85.7 | Confident | 82 | Confident | 105 Ų | 105 | 48.2 Ų | 48.2 | 40% | 0.396 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -78.5 | -47.8 | 177.6 | -76.4 | -177.4 | -71.3 | -170.7 | -5.6 | 111.6 | R899 M900 E933 | R899-R903 WeakPolarHBondContact O-CG 3.17Å; R899-R903 PolarHBondContact O-N 3.14Å; R899-R903 PolarHBondContact O-NE 3.27Å; M900-R903 CarbonylContact O-C 3.57Å; M900-R903 WeakPolarHBondContact O-CA 3.35Å; M900-R903 WeakPolarHBondContact O-CB 3.4Å; M900-R903 PolarHBondContact O-N 2.89Å; R903-E933 IonicContact CZ-OE1 3.19Å; R903-E933 IonicContact NH1-OE1 2.83Å; R903-E933 PolarHBondContact NH1-OE1 3.16Å; R903-E933 IonicContact NH1-OE2 3Å; R903-E933 IonicContact NH2-OE1 3.84Å; R903-E933 PolarHBondContact NH2-OE1 3.47Å |
| 904 | D | 76.6 | Confident | 81.7 | Confident | 55 Ų | 55 | 50.4 Ų | 50.4 | 29% | 0.294 | 26% | 0.255 | S | S | . | . | trans | -150.1 | 108.3 | -180 | 175.5 | 5 | 0 | 0 | 0 | 108.3 | G311 M900 G906 S907 | G311-D904 VanDerWaalsContact O-OD1 3.13Å; M900-D904 CarbonylContact O-C 3.53Å; M900-D904 PolarHBondContact O-N 3.23Å; D904-G906 VanDerWaalsContact C-N 3.31Å; D904-G906 PolarHBondContact OD1-N 2.85Å; D904-S907 PolarHBondContact OD1-N 2.88Å; D904-S907 WeakPolarHBondContact OD2-CB 3.26Å; D904-S907 PolarHBondContact OD2-OG 3.4Å | ||
| 905 | A | 72.2 | Confident | 81.6 | Confident | 74 Ų | 74 | 50 Ų | 50 | 61% | 0.612 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -70.9 | -26.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | R901 | R901-A905 HydrophobicContact CG-CB 4.36Å; R901-A905 PolarHBondContact O-N 3.07Å |
| 906 | G | 67.7 | Low | 81.6 | Confident | 19 Ų | 19 | 49.1 Ų | 49.1 | 20% | 0.196 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -37.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | D904 | D904-G906 VanDerWaalsContact C-N 3.31Å; D904-G906 PolarHBondContact OD1-N 2.85Å |
| 907 | S | 70 | Confident | 81.6 | Confident | 27 Ų | 27 | 49.3 Ų | 49.3 | 19% | 0.189 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 8 | 178.6 | -57.5 | 0 | 0 | 0 | 0 | 114.4 | D904 | D904-S907 PolarHBondContact OD1-N 2.88Å; D904-S907 WeakPolarHBondContact OD2-CB 3.26Å; D904-S907 PolarHBondContact OD2-OG 3.4Å |
| 908 | A | 78.1 | Confident | 81.9 | Confident | 13 Ų | 13 | 49.3 Ų | 49.3 | 11% | 0.107 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -80.6 | 138.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | R901 | R901-A908 HydrophobicContact CB-CB 3.69Å; R901-A908 HydrophobicContact CG-CB 4.01Å |
| 909 | P | 80.4 | Confident | 82.2 | Confident | 13 Ų | 13 | 48 Ų | 48 | 8% | 0.084 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -59.4 | 143.7 | 177.2 | -23 | 32.1 | 0 | 0 | 0 | 113.9 | A897 M900 R901 D913 V915 | A897-P909 HydrophobicContact CB-CG 4.41Å; M900-P909 HydrophobicContact CE-CG 4.26Å; M900-P909 HydrophobicContact SD-CG 4.21Å; R901-P909 PolarHBondContact NH2-O 2.85Å; P909-D913 HydrophobicContact CB-CB 4.18Å; P909-V915 HydrophobicContact CB-CG2 3.78Å; P909-V915 HydrophobicContact CG-CB 4.35Å; P909-V915 HydrophobicContact CG-CG1 4.07Å; P909-V915 HydrophobicContact CG-CG2 3.83Å |
| 910 | Q | 75.8 | Confident | 82.4 | Confident | 129 Ų | 129 | 46 Ų | 46 | 60% | 0.603 | 24% | 0.236 | S | C | * | . | P | Polyproline II helix | trans | -101.3 | 173.5 | 176.5 | -56.5 | -167.8 | 7.2 | 0 | 0 | 112.7 | L880 G912 D913 | L880-Q910 WeakPolarHBondContact CD2-O 3.34Å; Q910-G912 PolarHBondContact O-N 3.45Å; Q910-D913 WeakPolarHBondContact CB-OD2 3.29Å; Q910-D913 PolarHBondContact N-OD2 2.99Å; Q910-D913 VanDerWaalsContact O-CB 3.31Å; Q910-D913 WeakPolarHBondContact O-CB 3.38Å; Q910-D913 PolarHBondContact O-N 2.79Å; Q910-D913 VanDerWaalsContact O-N 3.09Å |
| 911 | L | 75 | Confident | 82.6 | Confident | 55 Ų | 55 | 47.4 Ų | 47.4 | 29% | 0.288 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | 124.8 | 177.6 | -173.8 | 73.4 | 0 | 0 | 0 | 110 | K882 | K882-L911 VanDerWaalsContact C-CD1 3.42Å; K882-L911 WeakPolarHBondContact O-CD1 3.47Å |
| 912 | G | 74.4 | Confident | 82.7 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 95.7 | -12.1 | -174 | 0 | 0 | 0 | 0 | 0 | 114.1 | R439 L880 Q910 | R439-G912 PolarHBondContact NH2-O 3.11Å; L880-G912 PolarHBondContact O-N 3.43Å; Q910-G912 PolarHBondContact O-N 3.45Å |
| 913 | D | 77.8 | Confident | 82.7 | Confident | 72 Ų | 72 | 40.9 Ų | 40.9 | 39% | 0.385 | 25% | 0.245 | S | C | . | . | trans | -77.9 | 153.5 | 176.7 | -68.8 | -15.2 | 0 | 0 | 0 | 111.6 | E879 L880 P909 Q910 | E879-D913 CarbonylContact C-O 3.56Å; E879-D913 WeakPolarHBondContact CA-O 3.22Å; L880-D913 PolarHBondContact N-O 3.13Å; P909-D913 HydrophobicContact CB-CB 4.18Å; Q910-D913 WeakPolarHBondContact CB-OD2 3.29Å; Q910-D913 PolarHBondContact N-OD2 2.99Å; Q910-D913 VanDerWaalsContact O-CB 3.31Å; Q910-D913 WeakPolarHBondContact O-CB 3.38Å; Q910-D913 PolarHBondContact O-N 2.79Å; Q910-D913 VanDerWaalsContact O-N 3.09Å | ||
| 914 | R | 82.9 | Confident | 82.6 | Confident | 53 Ų | 53 | 46.4 Ų | 46.4 | 20% | 0.2 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 126.5 | 169.7 | -65.4 | -166.1 | 70 | 146.8 | 2.8 | 110.6 | R465 R827 S877 K878 E879 P916 | R465-R914 WeakPolarHBondContact O-CD 3.41Å; R827-R914 PolarHBondContact O-NH2 3.48Å; S877-R914 PolarHBondContact O-NH2 2.9Å; S877-R914 WeakPolarHBondContact OG-CB 3.44Å; S877-R914 PolarHBondContact OG-NE 2.97Å; K878-R914 CarbonylContact O-C 3.57Å; K878-R914 WeakPolarHBondContact O-CA 3.45Å; E879-R914 HydrophobicContact CB-CG 4.16Å; R914-P916 VanDerWaalsContact O-CD 3.29Å; R914-P916 WeakPolarHBondContact O-CD 3.32Å |
| 915 | V | 87.6 | Confident | 82.9 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 112.6 | 177.6 | -169.7 | 0 | 0 | 0 | 0 | 108.8 | S877 K878 H893 L896 A897 M900 P909 Y917 | S877-V915 WeakPolarHBondContact CA-O 3.45Å; K878-V915 PolarHBondContact N-O 3.27Å; K878-V915 PolarHBondContact O-N 3.33Å; H893-V915 HydrophobicContact CB-CB 3.94Å; H893-V915 HydrophobicContact CB-CG1 4.45Å; H893-V915 HydrophobicContact CB-CG2 4.21Å; L896-V915 HydrophobicContact CD2-CG1 4.11Å; L896-V915 HydrophobicContact CG-CG1 4.46Å; A897-V915 HydrophobicContact CB-CG2 4.31Å; M900-V915 HydrophobicContact SD-CG1 4.25Å; P909-V915 HydrophobicContact CB-CG2 3.78Å; P909-V915 HydrophobicContact CG-CB 4.35Å; P909-V915 HydrophobicContact CG-CG1 4.07Å; P909-V915 HydrophobicContact CG-CG2 3.83Å; V915-Y917 WeakPolarHBondContact O-CD1 3.38Å |
| 916 | P | 89.4 | Confident | 83.7 | Confident | 33 Ų | 33 | 45.9 Ų | 45.9 | 21% | 0.214 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 138.6 | 169.1 | 31.6 | -33 | 0 | 0 | 0 | 110.4 | I875 I876 R914 | I875-P916 HydrophobicContact CG2-CB 3.61Å; I876-P916 CarbonylContact O-C 3.55Å; I876-P916 WeakPolarHBondContact O-CA 3.42Å; R914-P916 VanDerWaalsContact O-CD 3.29Å; R914-P916 WeakPolarHBondContact O-CD 3.32Å |
| 917 | Y | 93.1 | Very high | 84.7 | Confident | 4 Ų | 4 | 46.7 Ų | 46.7 | 2% | 0.016 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 156.1 | 177.5 | 63.6 | -82.3 | 0 | 0 | 0 | 112.2 | I876 K878 A892 H893 L896 V915 I919 A932 E933 | I876-Y917 HydrophobicContact CB-CD2 4.4Å; I876-Y917 HydrophobicContact CB-CE1 4.18Å; I876-Y917 HydrophobicContact CB-CE2 4.01Å; I876-Y917 HydrophobicContact CD1-CE2 4.38Å; I876-Y917 HydrophobicContact CG2-CE1 3.89Å; I876-Y917 HydrophobicContact CG2-CE2 4.09Å; I876-Y917 VanDerWaalsContact CG2-OH 3.31Å; I876-Y917 WeakPolarHBondContact CG2-OH 3.46Å; I876-Y917 PolarHBondContact N-O 3.38Å; I876-Y917 VanDerWaalsContact O-CD1 3.3Å; I876-Y917 WeakPolarHBondContact O-CD1 3.5Å; I876-Y917 PolarHBondContact O-N 3.11Å; K878-Y917 HydrophobicContact CB-CE1 4.36Å; K878-Y917 HydrophobicContact CG-CE1 4.32Å; A892-Y917 HydrophobicContact CB-CD2 4.42Å; A892-Y917 HydrophobicContact CB-CE2 3.81Å; H893-Y917 HydrophobicContact CB-CD1 4.29Å; H893-Y917 HydrophobicContact CB-CE1 3.98Å; L896-Y917 HydrophobicContact CD2-CG 4.36Å; V915-Y917 WeakPolarHBondContact O-CD1 3.38Å; Y917-I919 HydrophobicContact CD2-CD1 3.94Å; Y917-I919 HydrophobicContact CE2-CD1 3.87Å; Y917-A932 HydrophobicContact CD2-CB 3.74Å; Y917-A932 HydrophobicContact CE2-CB 4.34Å; Y917-A932 HydrophobicContact CG-CB 4.28Å; Y917-E933 VanDerWaalsContact CA-O 3.31Å; Y917-E933 WeakPolarHBondContact CA-O 3.23Å |
| 918 | V | 95.2 | Very high | 85.5 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 160.9 | 166.6 | -67 | 0 | 0 | 0 | 0 | 110.2 | I871 L874 I875 V920 A932 E933 P935 V938 Y950 | I871-V918 HydrophobicContact CD1-CG1 4.42Å; I871-V918 HydrophobicContact CG1-CG1 4Å; L874-V918 HydrophobicContact CB-CG1 4.35Å; I875-V918 HydrophobicContact CG1-CG1 4.22Å; V918-V920 HydrophobicContact CG2-CG1 4.46Å; V918-A932 CarbonylContact O-C 3.58Å; V918-A932 WeakPolarHBondContact O-CA 3.29Å; V918-E933 PolarHBondContact N-O 3.35Å; V918-E933 PolarHBondContact O-N 3.36Å; V918-P935 HydrophobicContact CG1-CB 4.31Å; V918-P935 HydrophobicContact CG1-CG 4.18Å; V918-V938 HydrophobicContact CG2-CB 4.07Å; V918-V938 HydrophobicContact CG2-CG1 4.15Å; V918-V938 HydrophobicContact CG2-CG2 3.62Å; V918-Y950 VanDerWaalsContact CA-OH 3.29Å; V918-Y950 WeakPolarHBondContact CA-OH 3.35Å; V918-Y950 WeakPolarHBondContact CB-OH 3.08Å |
| 919 | I | 95.5 | Very high | 86 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 116.3 | 174.8 | -59.6 | -59.4 | 0 | 0 | 0 | 109.6 | I876 Y917 K931 A932 I945 D946 Y949 Y950 | I876-I919 HydrophobicContact CD1-CG1 4.42Å; Y917-I919 HydrophobicContact CD2-CD1 3.94Å; Y917-I919 HydrophobicContact CE2-CD1 3.87Å; I919-K931 WeakPolarHBondContact CA-O 3.4Å; I919-K931 HydrophobicContact CG2-CB 3.87Å; I919-A932 HydrophobicContact CD1-CB 4.12Å; I919-I945 WeakPolarHBondContact O-CG2 3.48Å; I919-D946 HydrophobicContact CG2-CB 4.08Å; I919-D946 PolarHBondContact O-N 2.84Å; I919-Y949 HydrophobicContact CB-CD1 3.77Å; I919-Y949 HydrophobicContact CB-CE1 4.1Å; I919-Y949 HydrophobicContact CB-CG 4.09Å; I919-Y949 HydrophobicContact CG1-CD1 3.71Å; I919-Y949 HydrophobicContact CG1-CE1 3.48Å; I919-Y949 VanDerWaalsContact CG1-CE1 3.48Å; I919-Y949 HydrophobicContact CG1-CE2 4.28Å; I919-Y949 HydrophobicContact CG1-CG 4.26Å; I919-Y949 HydrophobicContact CG2-CD1 3.95Å; I919-Y949 HydrophobicContact CG2-CD2 4Å; I919-Y949 HydrophobicContact CG2-CE1 4.48Å; I919-Y949 HydrophobicContact CG2-CE2 4.49Å; I919-Y949 HydrophobicContact CG2-CG 3.72Å; I919-Y950 HydrophobicContact CB-CE2 4.11Å; I919-Y950 PolarHBondContact N-OH 2.96Å |
| 920 | V | 94.8 | Very high | 86.5 | Confident | 17 Ų | 17 | 53.9 Ų | 53.9 | 10% | 0.103 | 32% | 0.318 | C | S | . | . | B | Isolated β-bridge | trans | -90.1 | 155.6 | -179.7 | -53.5 | 0 | 0 | 0 | 0 | 112.2 | V918 K931 E933 V938 I943 P944 | V918-V920 HydrophobicContact CG2-CG1 4.46Å; V920-K931 WeakPolarHBondContact CG2-O 3.22Å; V920-K931 PolarHBondContact N-O 3.21Å; V920-K931 WeakPolarHBondContact O-CE 3.36Å; V920-E933 HydrophobicContact CG1-CB 3.84Å; V920-V938 HydrophobicContact CG1-CG2 3.53Å; V920-I943 HydrophobicContact CB-CG2 3.78Å; V920-I943 HydrophobicContact CG1-CB 4.44Å; V920-I943 HydrophobicContact CG1-CG2 3.75Å; V920-I943 HydrophobicContact CG2-CG2 4.19Å; V920-P944 CarbonylContact C-O 3.59Å; V920-P944 WeakPolarHBondContact CA-O 3.25Å; V920-P944 WeakPolarHBondContact CB-O 3.39Å |
| 921 | A | 91.3 | Very high | 87.3 | Confident | 45 Ų | 45 | 48.7 Ų | 48.7 | 37% | 0.372 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 137.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | P944 | A921-P944 HydrophobicContact CB-CB 4.15Å; A921-P944 HydrophobicContact CB-CG 4.15Å; A921-P944 PolarHBondContact N-O 3.06Å |
| 922 | A | 88.2 | Confident | 88.3 | Confident | 53 Ų | 53 | 46.1 Ų | 46.1 | 44% | 0.438 | 28% | 0.28 | S | S | . | . | trans | -146.3 | 176.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | T926 K931 | A922-T926 HydrophobicContact CB-CG2 3.92Å; A922-K931 HydrophobicContact CB-CD 4.07Å; A922-K931 HydrophobicContact CB-CG 3.78Å | ||
| 923 | S | 85.2 | Confident | 89.2 | Confident | 90 Ų | 90 | 47.2 Ų | 47.2 | 63% | 0.629 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -58.2 | 146.4 | 175.4 | 54.5 | 0 | 0 | 0 | 0 | 111.4 | G925 T926 | S923-G925 PolarHBondContact O-N 3.5Å; S923-T926 VanDerWaalsContact O-CB 3.26Å; S923-T926 WeakPolarHBondContact O-CB 3.46Å; S923-T926 PolarHBondContact O-N 2.89Å; S923-T926 PolarHBondContact O-OG1 2.83Å; S923-T926 PolarHBondContact OG-OG1 3.05Å |
| 924 | K | 82.6 | Confident | 89.9 | Confident | 221 Ų | 221 | 44.8 Ų | 44.8 | 96% | 0.961 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | 131.8 | -179.3 | -169.2 | 178.4 | -178.1 | -179.8 | 0 | 110.2 | ||
| 925 | G | 84.4 | Confident | 90.4 | Very high | 80 Ų | 80 | 42.2 Ų | 42.2 | 83% | 0.825 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.9 | -5.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | S923 A927 | S923-G925 PolarHBondContact O-N 3.5Å; G925-A927 PolarHBondContact O-N 2.75Å |
| 926 | T | 88.7 | Confident | 90.4 | Very high | 38 Ų | 38 | 43.3 Ų | 43.3 | 23% | 0.233 | 27% | 0.267 | C | S | . | . | trans | -62.2 | 127.8 | 173.3 | -58.8 | 0 | 0 | 0 | 0 | 110.4 | A922 S923 L930 K931 | A922-T926 HydrophobicContact CB-CG2 3.92Å; S923-T926 VanDerWaalsContact O-CB 3.26Å; S923-T926 WeakPolarHBondContact O-CB 3.46Å; S923-T926 PolarHBondContact O-N 2.89Å; S923-T926 PolarHBondContact O-OG1 2.83Å; S923-T926 PolarHBondContact OG-OG1 3.05Å; T926-L930 HydrophobicContact CG2-CB 3.85Å; T926-L930 HydrophobicContact CG2-CD1 4.19Å; T926-K931 HydrophobicContact CG2-CD 4.15Å; T926-K931 HydrophobicContact CG2-CG 3.79Å; T926-K931 WeakPolarHBondContact O-CD 3.49Å | ||
| 927 | A | 88 | Confident | 90.5 | Very high | 35 Ų | 35 | 45.1 Ų | 45.1 | 29% | 0.289 | 27% | 0.27 | S | S | . | . | trans | -63.4 | 143.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | G925 Y929 L930 | G925-A927 PolarHBondContact O-N 2.75Å; A927-Y929 HydrophobicContact CB-CD1 3.71Å; A927-Y929 HydrophobicContact CB-CE1 3.27Å; A927-Y929 HydrophobicContact CB-CG 4.48Å; A927-Y929 PolarHBondContact O-N 2.98Å; A927-Y929 VanDerWaalsContact O-N 3.09Å; A927-L930 PolarHBondContact O-N 3.01Å | ||
| 928 | A | 86.7 | Confident | 90.4 | Very high | 39 Ų | 39 | 45.1 Ų | 45.1 | 32% | 0.322 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -56.2 | -31.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | L930 K931 A932 Y949 | A928-L930 VanDerWaalsContact C-N 3.29Å; A928-L930 PolarHBondContact O-N 3.23Å; A928-K931 PolarHBondContact O-N 3.46Å; A928-K931 VanDerWaalsContact O-N 3.09Å; A928-A932 PolarHBondContact O-N 3.3Å; A928-Y949 HydrophobicContact CB-CE2 4.23Å |
| 929 | Y | 88.6 | Confident | 90.1 | Very high | 67 Ų | 67 | 46 Ų | 46 | 26% | 0.263 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -70.2 | -23.4 | -179.6 | 64.4 | -100.2 | 0 | 0 | 0 | 114.3 | K890 E895 R899 A927 K931 | K890-Y929 HydrophobicContact CB-CD1 3.98Å; K890-Y929 HydrophobicContact CB-CD2 4.03Å; K890-Y929 HydrophobicContact CB-CE1 4.07Å; K890-Y929 HydrophobicContact CB-CE2 4.12Å; K890-Y929 HydrophobicContact CB-CG 3.98Å; K890-Y929 HydrophobicContact CD-CD2 4.29Å; K890-Y929 HydrophobicContact CD-CE2 3.72Å; E895-Y929 HydrophobicContact CG-CD2 3.95Å; E895-Y929 HydrophobicContact CG-CG 4.43Å; R899-Y929 PolarHBondContact NH1-O 3.05Å; R899-Y929 PolarHBondContact NH2-O 3.08Å; R899-Y929 VanDerWaalsContact NH2-O 3.17Å; A927-Y929 HydrophobicContact CB-CD1 3.71Å; A927-Y929 HydrophobicContact CB-CE1 3.27Å; A927-Y929 HydrophobicContact CB-CG 4.48Å; A927-Y929 PolarHBondContact O-N 2.98Å; A927-Y929 VanDerWaalsContact O-N 3.09Å; Y929-K931 VanDerWaalsContact C-N 3.33Å |
| 930 | L | 91 | Very high | 89.7 | Confident | 99 Ų | 99 | 51.3 Ų | 51.3 | 52% | 0.518 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -82.2 | -16.3 | 172.4 | -65.5 | 175.8 | 0 | 0 | 0 | 112.4 | T926 A927 A928 | T926-L930 HydrophobicContact CG2-CB 3.85Å; T926-L930 HydrophobicContact CG2-CD1 4.19Å; A927-L930 PolarHBondContact O-N 3.01Å; A928-L930 VanDerWaalsContact C-N 3.29Å; A928-L930 PolarHBondContact O-N 3.23Å |
| 931 | K | 93.9 | Very high | 89.4 | Confident | 20 Ų | 20 | 52 Ų | 52 | 9% | 0.087 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -98.3 | -7.4 | -177.6 | -61.2 | 171.6 | 63.5 | 179.1 | 0 | 113.1 | I919 V920 A922 T926 A928 Y929 D946 | I919-K931 WeakPolarHBondContact CA-O 3.4Å; I919-K931 HydrophobicContact CG2-CB 3.87Å; V920-K931 WeakPolarHBondContact CG2-O 3.22Å; V920-K931 PolarHBondContact N-O 3.21Å; V920-K931 WeakPolarHBondContact O-CE 3.36Å; A922-K931 HydrophobicContact CB-CD 4.07Å; A922-K931 HydrophobicContact CB-CG 3.78Å; T926-K931 HydrophobicContact CG2-CD 4.15Å; T926-K931 HydrophobicContact CG2-CG 3.79Å; T926-K931 WeakPolarHBondContact O-CD 3.49Å; A928-K931 PolarHBondContact O-N 3.46Å; A928-K931 VanDerWaalsContact O-N 3.09Å; Y929-K931 VanDerWaalsContact C-N 3.33Å; K931-D946 WeakPolarHBondContact CE-OD2 3.36Å; K931-D946 IonicContact NZ-OD2 3.94Å; K931-D946 PolarHBondContact NZ-OD2 3.04Å |
| 932 | A | 94.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 130.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110 | A892 L896 R899 Y917 V918 I919 A928 | A892-A932 HydrophobicContact CB-CB 3.7Å; L896-A932 HydrophobicContact CB-CB 4.4Å; R899-A932 PolarHBondContact NH2-O 3.45Å; Y917-A932 HydrophobicContact CD2-CB 3.74Å; Y917-A932 HydrophobicContact CE2-CB 4.34Å; Y917-A932 HydrophobicContact CG-CB 4.28Å; V918-A932 CarbonylContact O-C 3.58Å; V918-A932 WeakPolarHBondContact O-CA 3.29Å; I919-A932 HydrophobicContact CD1-CB 4.12Å; A928-A932 PolarHBondContact O-N 3.3Å |
| 933 | E | 95 | Very high | 89.3 | Confident | 25 Ų | 25 | 51.2 Ų | 51.2 | 12% | 0.117 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 154.5 | 179 | -164.3 | 49.8 | -92.9 | 0 | 0 | 111.4 | L896 R903 Y917 V918 V920 Y937 V938 I943 | L896-E933 WeakPolarHBondContact CD1-OE1 3.09Å; R903-E933 IonicContact CZ-OE1 3.19Å; R903-E933 IonicContact NH1-OE1 2.83Å; R903-E933 PolarHBondContact NH1-OE1 3.16Å; R903-E933 IonicContact NH1-OE2 3Å; R903-E933 IonicContact NH2-OE1 3.84Å; R903-E933 PolarHBondContact NH2-OE1 3.47Å; Y917-E933 VanDerWaalsContact CA-O 3.31Å; Y917-E933 WeakPolarHBondContact CA-O 3.23Å; V918-E933 PolarHBondContact N-O 3.35Å; V918-E933 PolarHBondContact O-N 3.36Å; V920-E933 HydrophobicContact CG1-CB 3.84Å; E933-Y937 HydrophobicContact CG-CD1 3.62Å; E933-Y937 HydrophobicContact CG-CE1 4.32Å; E933-V938 HydrophobicContact CB-CG2 3.64Å; E933-V938 HydrophobicContact CG-CG2 3.65Å; E933-I943 HydrophobicContact CG-CD1 4.48Å |
| 934 | D | 92.3 | Very high | 89.6 | Confident | 21 Ų | 21 | 48.3 Ų | 48.3 | 11% | 0.112 | 27% | 0.265 | C | S | . | . | trans | -62.3 | 126.6 | 176 | 168.2 | 46 | 0 | 0 | 0 | 110.2 | I936 Y937 V938 | D934-I936 PolarHBondContact O-N 2.97Å; D934-Y937 PolarHBondContact O-N 3.22Å; D934-Y937 PolarHBondContact OD2-N 2.84Å; D934-V938 WeakPolarHBondContact O-CG2 3.25Å; D934-V938 PolarHBondContact O-N 2.83Å | ||
| 935 | P | 92.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.7 | -33.8 | -176.2 | -23.2 | 33.3 | 0 | 0 | 0 | 113.6 | I871 I875 V918 L939 Y1072 | I871-P935 HydrophobicContact CD1-CB 4.27Å; I871-P935 WeakPolarHBondContact CD1-O 3.22Å; I875-P935 HydrophobicContact CD1-CB 4.01Å; I875-P935 HydrophobicContact CD1-CG 3.93Å; I875-P935 HydrophobicContact CG1-CB 4.09Å; I875-P935 HydrophobicContact CG1-CG 3.81Å; I875-P935 HydrophobicContact CG2-CG 4.25Å; V918-P935 HydrophobicContact CG1-CB 4.31Å; V918-P935 HydrophobicContact CG1-CG 4.18Å; P935-L939 WeakPolarHBondContact O-CB 3.28Å; P935-L939 PolarHBondContact O-N 3.25Å; P935-Y1072 HydrophobicContact CB-CE1 3.94Å |
| 936 | I | 88.4 | Confident | 90.6 | Very high | 22 Ų | 22 | 36.3 Ų | 36.3 | 11% | 0.113 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -69.2 | -50.7 | 177.8 | -62.7 | 174.2 | 0 | 0 | 0 | 109.6 | D934 V938 L939 E940 R1066 F1071 Y1072 | D934-I936 PolarHBondContact O-N 2.97Å; I936-V938 VanDerWaalsContact C-N 3.25Å; I936-V938 PolarHBondContact O-N 3.29Å; I936-L939 WeakPolarHBondContact O-CB 3.3Å; I936-L939 PolarHBondContact O-N 3.16Å; I936-E940 HydrophobicContact CG2-CG 4.25Å; I936-E940 WeakPolarHBondContact O-CG 3.42Å; I936-E940 PolarHBondContact O-N 2.89Å; I936-R1066 HydrophobicContact CD1-CG 3.89Å; I936-F1071 HydrophobicContact CD1-CE1 4Å; I936-F1071 HydrophobicContact CD1-CZ 4.37Å; I936-F1071 HydrophobicContact CG1-CE1 4.16Å; I936-Y1072 HydrophobicContact CG1-CE1 4.08Å |
| 937 | Y | 90.1 | Very high | 90.8 | Very high | 71 Ų | 71 | 35.5 Ų | 35.5 | 28% | 0.278 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -55.4 | -40.7 | 174.9 | -174.4 | -97.8 | 0 | 0 | 0 | 112.8 | E933 D934 N941 I943 | E933-Y937 HydrophobicContact CG-CD1 3.62Å; E933-Y937 HydrophobicContact CG-CE1 4.32Å; D934-Y937 PolarHBondContact O-N 3.22Å; D934-Y937 PolarHBondContact OD2-N 2.84Å; Y937-N941 WeakPolarHBondContact CD2-ND2 3.37Å; Y937-N941 VanDerWaalsContact CE2-ND2 3.3Å; Y937-N941 WeakPolarHBondContact CE2-ND2 3.19Å; Y937-N941 WeakPolarHBondContact O-CB 3.38Å; Y937-N941 PolarHBondContact O-N 3.41Å; Y937-N941 VanDerWaalsContact O-N 3.09Å; Y937-N941 PolarHBondContact O-ND2 3.38Å; Y937-I943 HydrophobicContact CD1-CD1 3.64Å; Y937-I943 HydrophobicContact CE1-CD1 3.47Å; Y937-I943 VanDerWaalsContact CE1-CD1 3.47Å |
| 938 | V | 92.2 | Very high | 91 | Very high | 4 Ų | 4 | 36.7 Ų | 36.7 | 2% | 0.024 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.6 | -44.5 | 175.4 | 166.7 | 0 | 0 | 0 | 0 | 111.6 | I871 V918 V920 E933 D934 I936 N942 I943 I945 | I871-V938 HydrophobicContact CD1-CB 4.19Å; I871-V938 HydrophobicContact CD1-CG1 3.77Å; V918-V938 HydrophobicContact CG2-CB 4.07Å; V918-V938 HydrophobicContact CG2-CG1 4.15Å; V918-V938 HydrophobicContact CG2-CG2 3.62Å; V920-V938 HydrophobicContact CG1-CG2 3.53Å; E933-V938 HydrophobicContact CB-CG2 3.64Å; E933-V938 HydrophobicContact CG-CG2 3.65Å; D934-V938 WeakPolarHBondContact O-CG2 3.25Å; D934-V938 PolarHBondContact O-N 2.83Å; I936-V938 VanDerWaalsContact C-N 3.25Å; I936-V938 PolarHBondContact O-N 3.29Å; V938-N942 WeakPolarHBondContact O-CA 3.36Å; V938-N942 PolarHBondContact O-N 2.96Å; V938-I943 HydrophobicContact CB-CB 4.44Å; V938-I943 HydrophobicContact CG1-CB 4.16Å; V938-I943 WeakPolarHBondContact CG1-O 3.28Å; V938-I943 HydrophobicContact CG2-CB 4.29Å; V938-I943 HydrophobicContact CG2-CD1 4.39Å; V938-I943 PolarHBondContact O-N 2.99Å; V938-I945 HydrophobicContact CG1-CG1 4.4Å |
| 939 | L | 88.2 | Confident | 91.3 | Very high | 20 Ų | 20 | 36.6 Ų | 36.6 | 11% | 0.105 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.2 | -52.8 | -179.8 | -170.1 | 62.6 | 0 | 0 | 0 | 110.9 | P935 I936 N941 N942 Y1072 T1075 K1076 M1079 | P935-L939 WeakPolarHBondContact O-CB 3.28Å; P935-L939 PolarHBondContact O-N 3.25Å; I936-L939 WeakPolarHBondContact O-CB 3.3Å; I936-L939 PolarHBondContact O-N 3.16Å; L939-N941 VanDerWaalsContact C-N 3.27Å; L939-N941 PolarHBondContact O-N 3.15Å; L939-N942 PolarHBondContact O-N 3.2Å; L939-N942 VanDerWaalsContact O-N 3.14Å; L939-Y1072 HydrophobicContact CD2-CD1 4.49Å; L939-T1075 HydrophobicContact CD2-CG2 3.51Å; L939-T1075 HydrophobicContact CG-CG2 4.23Å; L939-K1076 HydrophobicContact CD1-CB 3.94Å; L939-K1076 HydrophobicContact CD1-CG 4.19Å; L939-M1079 HydrophobicContact CG-SD 4.18Å; L939-M1079 WeakPolarHBondContact O-CE 3.45Å; L939-M1079 VanDerWaalsContact O-SD 3.4Å |
| 940 | E | 86.6 | Confident | 91.6 | Very high | 111 Ų | 111 | 33.4 Ų | 33.4 | 52% | 0.519 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -58.1 | -37.1 | -179.5 | -70.5 | 177.8 | 164.6 | 0 | 0 | 113 | I936 M1079 | I936-E940 HydrophobicContact CG2-CG 4.25Å; I936-E940 WeakPolarHBondContact O-CG 3.42Å; I936-E940 PolarHBondContact O-N 2.89Å; E940-M1079 WeakPolarHBondContact O-CE 3.43Å |
| 941 | N | 88.9 | Confident | 91.8 | Very high | 31 Ų | 31 | 29.2 Ų | 29.2 | 17% | 0.166 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 8.1 | -177.3 | -63.8 | -81.7 | 0 | 0 | 0 | 113.6 | Y937 L939 I943 S989 K990 V991 | Y937-N941 WeakPolarHBondContact CD2-ND2 3.37Å; Y937-N941 VanDerWaalsContact CE2-ND2 3.3Å; Y937-N941 WeakPolarHBondContact CE2-ND2 3.19Å; Y937-N941 WeakPolarHBondContact O-CB 3.38Å; Y937-N941 PolarHBondContact O-N 3.41Å; Y937-N941 VanDerWaalsContact O-N 3.09Å; Y937-N941 PolarHBondContact O-ND2 3.38Å; L939-N941 VanDerWaalsContact C-N 3.27Å; L939-N941 PolarHBondContact O-N 3.15Å; N941-I943 HydrophobicContact CB-CD1 4.06Å; N941-I943 HydrophobicContact CB-CG1 3.78Å; N941-I943 PolarHBondContact O-N 2.87Å; N941-I943 VanDerWaalsContact O-N 3.15Å; N941-S989 PolarHBondContact O-OG 3.48Å; N941-K990 WeakPolarHBondContact O-CB 3.5Å; N941-K990 PolarHBondContact O-N 3.35Å; N941-V991 HydrophobicContact CB-CG1 4.05Å; N941-V991 HydrophobicContact CB-CG2 3.86Å; N941-V991 WeakPolarHBondContact OD1-CG1 3.35Å |
| 942 | N | 87.4 | Confident | 91.7 | Very high | 58 Ų | 58 | 33 Ų | 33 | 31% | 0.31 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.1 | 37.9 | -179.6 | -153.7 | 23.3 | 0 | 0 | 0 | 113.6 | V938 L939 V987 S989 K990 | V938-N942 WeakPolarHBondContact O-CA 3.36Å; V938-N942 PolarHBondContact O-N 2.96Å; L939-N942 PolarHBondContact O-N 3.2Å; L939-N942 VanDerWaalsContact O-N 3.14Å; N942-V987 VanDerWaalsContact CG-CG1 3.49Å; N942-V987 WeakPolarHBondContact ND2-CG1 3.22Å; N942-V987 VanDerWaalsContact OD1-CG1 3.3Å; N942-V987 WeakPolarHBondContact OD1-CG1 3.44Å; N942-S989 VanDerWaalsContact O-CA 3.32Å; N942-S989 WeakPolarHBondContact O-CA 3.45Å; N942-K990 HydrophobicContact CB-CD 4.25Å; N942-K990 HydrophobicContact CB-CG 4.07Å |
| 943 | I | 90.8 | Very high | 91.6 | Very high | 23 Ų | 23 | 36.7 Ų | 36.7 | 12% | 0.118 | 18% | 0.181 | C | C | . | . | P | Polyproline II helix | trans | -71.4 | 127.9 | -174.5 | -53.7 | 178.7 | 0 | 0 | 0 | 108.7 | V920 E933 Y937 V938 N941 I945 V991 | V920-I943 HydrophobicContact CB-CG2 3.78Å; V920-I943 HydrophobicContact CG1-CB 4.44Å; V920-I943 HydrophobicContact CG1-CG2 3.75Å; V920-I943 HydrophobicContact CG2-CG2 4.19Å; E933-I943 HydrophobicContact CG-CD1 4.48Å; Y937-I943 HydrophobicContact CD1-CD1 3.64Å; Y937-I943 HydrophobicContact CE1-CD1 3.47Å; Y937-I943 VanDerWaalsContact CE1-CD1 3.47Å; V938-I943 HydrophobicContact CB-CB 4.44Å; V938-I943 HydrophobicContact CG1-CB 4.16Å; V938-I943 WeakPolarHBondContact CG1-O 3.28Å; V938-I943 HydrophobicContact CG2-CB 4.29Å; V938-I943 HydrophobicContact CG2-CD1 4.39Å; V938-I943 PolarHBondContact O-N 2.99Å; N941-I943 HydrophobicContact CB-CD1 4.06Å; N941-I943 HydrophobicContact CB-CG1 3.78Å; N941-I943 PolarHBondContact O-N 2.87Å; N941-I943 VanDerWaalsContact O-N 3.15Å; I943-I945 PolarHBondContact O-N 3.38Å; I943-V991 HydrophobicContact CD1-CG2 4.05Å; I943-V991 HydrophobicContact CG1-CG2 4.08Å |
| 944 | P | 91.1 | Very high | 91.4 | Very high | 30 Ų | 30 | 36.1 Ų | 36.1 | 20% | 0.195 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -64.4 | 134.3 | -178.2 | 22.4 | -30.9 | 0 | 0 | 0 | 111.7 | V920 A921 V987 | V920-P944 CarbonylContact C-O 3.59Å; V920-P944 WeakPolarHBondContact CA-O 3.25Å; V920-P944 WeakPolarHBondContact CB-O 3.39Å; A921-P944 HydrophobicContact CB-CB 4.15Å; A921-P944 HydrophobicContact CB-CG 4.15Å; A921-P944 PolarHBondContact N-O 3.06Å; P944-V987 HydrophobicContact CB-CB 4.41Å; P944-V987 WeakPolarHBondContact CB-O 3.44Å |
| 945 | I | 93.2 | Very high | 91.5 | Very high | 21 Ų | 21 | 35.2 Ų | 35.2 | 11% | 0.108 | 17% | 0.173 | C | C | . | . | B | Isolated β-bridge | trans | -79.6 | 142.4 | 175.5 | -61.2 | 179.5 | 0 | 0 | 0 | 109.6 | I871 L874 I919 V938 I943 T947 Y950 | I871-I945 HydrophobicContact CD1-CD1 4.27Å; I871-I945 HydrophobicContact CG1-CD1 4.05Å; L874-I945 HydrophobicContact CD1-CD1 3.66Å; L874-I945 HydrophobicContact CD1-CG2 4.12Å; I919-I945 WeakPolarHBondContact O-CG2 3.48Å; V938-I945 HydrophobicContact CG1-CG1 4.4Å; I943-I945 PolarHBondContact O-N 3.38Å; I945-T947 VanDerWaalsContact C-N 3.34Å; I945-T947 PolarHBondContact O-N 3.42Å; I945-Y950 HydrophobicContact CG2-CD2 3.91Å; I945-Y950 HydrophobicContact CG2-CE2 3.53Å |
| 946 | D | 94 | Very high | 91.6 | Very high | 27 Ų | 27 | 35.7 Ų | 35.7 | 14% | 0.144 | 18% | 0.177 | C | C | . | . | trans | -79.3 | 82.7 | 171.9 | -173.3 | -7.1 | 0 | 0 | 0 | 111.2 | I919 K931 Q948 Y949 Y950 | I919-D946 HydrophobicContact CG2-CB 4.08Å; I919-D946 PolarHBondContact O-N 2.84Å; K931-D946 WeakPolarHBondContact CE-OD2 3.36Å; K931-D946 IonicContact NZ-OD2 3.94Å; K931-D946 PolarHBondContact NZ-OD2 3.04Å; D946-Q948 PolarHBondContact O-N 3.44Å; D946-Q948 WeakPolarHBondContact OD1-CB 3.22Å; D946-Q948 PolarHBondContact OD1-N 2.79Å; D946-Q948 VanDerWaalsContact OD1-N 3.1Å; D946-Y949 VanDerWaalsContact CG-CB 3.5Å; D946-Y949 WeakPolarHBondContact O-CB 3.4Å; D946-Y949 PolarHBondContact O-N 2.9Å; D946-Y949 VanDerWaalsContact O-N 3.11Å; D946-Y949 PolarHBondContact OD1-N 3.43Å; D946-Y949 WeakPolarHBondContact OD2-CB 3.48Å; D946-Y950 VanDerWaalsContact O-CD2 3.25Å; D946-Y950 WeakPolarHBondContact O-CD2 3.18Å; D946-Y950 PolarHBondContact O-N 2.97Å | ||
| 947 | T | 93.7 | Very high | 91.8 | Very high | 22 Ų | 22 | 41.6 Ų | 41.6 | 14% | 0.135 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.8 | -28.1 | 178.9 | 58.3 | 0 | 0 | 0 | 0 | 112.9 | L864 I945 Y950 L951 | L864-T947 HydrophobicContact CD1-CG2 4.38Å; L864-T947 WeakPolarHBondContact O-CG2 3.37Å; I945-T947 VanDerWaalsContact C-N 3.34Å; I945-T947 PolarHBondContact O-N 3.42Å; T947-Y950 PolarHBondContact O-N 3.09Å; T947-L951 PolarHBondContact O-N 3.11Å |
| 948 | Q | 91.6 | Very high | 91.9 | Very high | 59 Ų | 59 | 38.5 Ų | 38.5 | 28% | 0.276 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -69.8 | -41.6 | 177 | -166.9 | 66.8 | 30 | 0 | 0 | 111.3 | D946 Y950 L951 E952 | D946-Q948 PolarHBondContact O-N 3.44Å; D946-Q948 WeakPolarHBondContact OD1-CB 3.22Å; D946-Q948 PolarHBondContact OD1-N 2.79Å; D946-Q948 VanDerWaalsContact OD1-N 3.1Å; Q948-Y950 VanDerWaalsContact C-N 3.28Å; Q948-Y950 PolarHBondContact O-N 3.37Å; Q948-L951 PolarHBondContact O-N 2.95Å; Q948-E952 HydrophobicContact CG-CG 4.28Å; Q948-E952 WeakPolarHBondContact CG-OE1 3.48Å; Q948-E952 PolarHBondContact NE2-OE1 2.98Å; Q948-E952 WeakPolarHBondContact O-CB 3.34Å; Q948-E952 WeakPolarHBondContact O-CG 3.33Å; Q948-E952 PolarHBondContact O-N 2.93Å |
| 949 | Y | 93.3 | Very high | 92 | Very high | 38 Ų | 38 | 38.3 Ų | 38.3 | 15% | 0.149 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -56.4 | -44.1 | 173.7 | 173.3 | -83.4 | 0 | 0 | 0 | 111.5 | I876 I919 A928 D946 N953 Q954 | I876-Y949 HydrophobicContact CD1-CE1 4.01Å; I919-Y949 HydrophobicContact CB-CD1 3.77Å; I919-Y949 HydrophobicContact CB-CE1 4.1Å; I919-Y949 HydrophobicContact CB-CG 4.09Å; I919-Y949 HydrophobicContact CG1-CD1 3.71Å; I919-Y949 HydrophobicContact CG1-CE1 3.48Å; I919-Y949 VanDerWaalsContact CG1-CE1 3.48Å; I919-Y949 HydrophobicContact CG1-CE2 4.28Å; I919-Y949 HydrophobicContact CG1-CG 4.26Å; I919-Y949 HydrophobicContact CG2-CD1 3.95Å; I919-Y949 HydrophobicContact CG2-CD2 4Å; I919-Y949 HydrophobicContact CG2-CE1 4.48Å; I919-Y949 HydrophobicContact CG2-CE2 4.49Å; I919-Y949 HydrophobicContact CG2-CG 3.72Å; A928-Y949 HydrophobicContact CB-CE2 4.23Å; D946-Y949 VanDerWaalsContact CG-CB 3.5Å; D946-Y949 WeakPolarHBondContact O-CB 3.4Å; D946-Y949 PolarHBondContact O-N 2.9Å; D946-Y949 VanDerWaalsContact O-N 3.11Å; D946-Y949 PolarHBondContact OD1-N 3.43Å; D946-Y949 WeakPolarHBondContact OD2-CB 3.48Å; Y949-N953 HydrophobicContact CD2-CB 4.31Å; Y949-N953 WeakPolarHBondContact CD2-ND2 3.44Å; Y949-N953 HydrophobicContact CE1-CB 4.31Å; Y949-N953 HydrophobicContact CE2-CB 4.07Å; Y949-N953 VanDerWaalsContact CE2-ND2 3.31Å; Y949-N953 WeakPolarHBondContact CE2-ND2 3.44Å; Y949-N953 WeakPolarHBondContact O-CA 3.4Å; Y949-N953 VanDerWaalsContact O-CB 3.23Å; Y949-N953 WeakPolarHBondContact O-CB 3.46Å; Y949-N953 PolarHBondContact O-N 3.41Å; Y949-Q954 HydrophobicContact CE1-CG 4.15Å |
| 950 | Y | 95 | Very high | 92.3 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68 | -41.2 | 179.2 | -74.3 | -86.8 | 0 | 0 | 0 | 111.8 | C830 L874 I876 V918 I919 I945 D946 T947 Q948 Q954 L955 | C830-Y950 HydrophobicContact CB-CE1 4.17Å; L874-Y950 HydrophobicContact CB-CE1 3.87Å; L874-Y950 HydrophobicContact CB-CE2 4.49Å; L874-Y950 HydrophobicContact CD2-CD1 3.91Å; L874-Y950 HydrophobicContact CD2-CE1 4.12Å; L874-Y950 HydrophobicContact CD2-CG 4.18Å; L874-Y950 WeakPolarHBondContact O-CE1 3.45Å; L874-Y950 VanDerWaalsContact O-CZ 3.27Å; L874-Y950 PolarHBondContact O-OH 3Å; I876-Y950 HydrophobicContact CD1-CE1 4.15Å; I876-Y950 HydrophobicContact CG1-CE1 4.33Å; V918-Y950 VanDerWaalsContact CA-OH 3.29Å; V918-Y950 WeakPolarHBondContact CA-OH 3.35Å; V918-Y950 WeakPolarHBondContact CB-OH 3.08Å; I919-Y950 HydrophobicContact CB-CE2 4.11Å; I919-Y950 PolarHBondContact N-OH 2.96Å; I945-Y950 HydrophobicContact CG2-CD2 3.91Å; I945-Y950 HydrophobicContact CG2-CE2 3.53Å; D946-Y950 VanDerWaalsContact O-CD2 3.25Å; D946-Y950 WeakPolarHBondContact O-CD2 3.18Å; D946-Y950 PolarHBondContact O-N 2.97Å; T947-Y950 PolarHBondContact O-N 3.09Å; Q948-Y950 VanDerWaalsContact C-N 3.28Å; Q948-Y950 PolarHBondContact O-N 3.37Å; Y950-Q954 HydrophobicContact CD1-CB 4.29Å; Y950-Q954 HydrophobicContact CD1-CG 3.8Å; Y950-Q954 HydrophobicContact CE1-CG 4.39Å; Y950-Q954 CarbonylContact O-C 3.59Å; Y950-Q954 WeakPolarHBondContact O-CA 3.44Å; Y950-Q954 WeakPolarHBondContact O-CB 3.23Å; Y950-Q954 PolarHBondContact O-N 3.19Å; Y950-L955 PolarHBondContact O-N 3.22Å |
| 951 | L | 94.2 | Very high | 92.5 | Very high | 10 Ų | 10 | 35.9 Ų | 35.9 | 5% | 0.052 | 18% | 0.176 | C | C | . | . | I | π-helix | trans | -60.1 | -51.9 | 175.3 | -178.6 | 57.6 | 0 | 0 | 0 | 111.5 | I861 L864 L865 T947 Q948 L955 A956 L976 | I861-L951 HydrophobicContact CD1-CD1 3.99Å; I861-L951 HydrophobicContact CG1-CD1 3.89Å; I861-L951 HydrophobicContact CG2-CD1 3.98Å; I861-L951 HydrophobicContact CG2-CD2 4.3Å; L864-L951 HydrophobicContact CD2-CB 4.36Å; L865-L951 HydrophobicContact CD1-CD2 4.45Å; L865-L951 HydrophobicContact CD2-CD2 4.4Å; T947-L951 PolarHBondContact O-N 3.11Å; Q948-L951 PolarHBondContact O-N 2.95Å; L951-L955 PolarHBondContact O-N 3.33Å; L951-A956 VanDerWaalsContact O-CB 3.23Å; L951-A956 WeakPolarHBondContact O-CB 3.34Å; L951-A956 PolarHBondContact O-N 3.3Å; L951-L976 HydrophobicContact CD1-CD2 4.05Å |
| 952 | E | 92.8 | Very high | 92.6 | Very high | 100 Ų | 100 | 34.4 Ų | 34.4 | 47% | 0.467 | 17% | 0.169 | S | C | . | . | I | π-helix | trans | -76.5 | -44.3 | -173.5 | -67 | 174.8 | 176.2 | 0 | 0 | 113.5 | Q948 | Q948-E952 HydrophobicContact CG-CG 4.28Å; Q948-E952 WeakPolarHBondContact CG-OE1 3.48Å; Q948-E952 PolarHBondContact NE2-OE1 2.98Å; Q948-E952 WeakPolarHBondContact O-CB 3.34Å; Q948-E952 WeakPolarHBondContact O-CG 3.33Å; Q948-E952 PolarHBondContact O-N 2.93Å |
| 953 | N | 91.7 | Very high | 92.9 | Very high | 77 Ų | 77 | 31.7 Ų | 31.7 | 41% | 0.412 | 15% | 0.154 | S | C | . | . | I | π-helix | trans | -100.8 | -14.8 | -170 | -60.9 | -48.1 | 0 | 0 | 0 | 114 | Y949 | Y949-N953 HydrophobicContact CD2-CB 4.31Å; Y949-N953 WeakPolarHBondContact CD2-ND2 3.44Å; Y949-N953 HydrophobicContact CE1-CB 4.31Å; Y949-N953 HydrophobicContact CE2-CB 4.07Å; Y949-N953 VanDerWaalsContact CE2-ND2 3.31Å; Y949-N953 WeakPolarHBondContact CE2-ND2 3.44Å; Y949-N953 WeakPolarHBondContact O-CA 3.4Å; Y949-N953 VanDerWaalsContact O-CB 3.23Å; Y949-N953 WeakPolarHBondContact O-CB 3.46Å; Y949-N953 PolarHBondContact O-N 3.41Å |
| 954 | Q | 92.2 | Very high | 93 | Very high | 13 Ų | 13 | 34.1 Ų | 34.1 | 6% | 0.061 | 17% | 0.167 | C | C | . | . | I | π-helix | trans | -113.8 | -45.6 | 179.9 | -59.4 | -72.3 | -78.3 | 0 | 0 | 112.2 | C830 V833 I876 Y949 Y950 P958 | C830-Q954 VanDerWaalsContact N-OE1 3.14Å; V833-Q954 HydrophobicContact CG2-CB 3.74Å; V833-Q954 WeakPolarHBondContact CG2-O 3.48Å; I876-Q954 HydrophobicContact CD1-CG 4.41Å; Y949-Q954 HydrophobicContact CE1-CG 4.15Å; Y950-Q954 HydrophobicContact CD1-CB 4.29Å; Y950-Q954 HydrophobicContact CD1-CG 3.8Å; Y950-Q954 HydrophobicContact CE1-CG 4.39Å; Y950-Q954 CarbonylContact O-C 3.59Å; Y950-Q954 WeakPolarHBondContact O-CA 3.44Å; Y950-Q954 WeakPolarHBondContact O-CB 3.23Å; Y950-Q954 PolarHBondContact O-N 3.19Å; Q954-P958 VanDerWaalsContact O-CD 3.26Å; Q954-P958 WeakPolarHBondContact O-CD 3.34Å; Q954-P958 VanDerWaalsContact O-CG 3.23Å; Q954-P958 WeakPolarHBondContact O-CG 3.49Å |
| 955 | L | 94.3 | Very high | 92.9 | Very high | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | I | π-helix | trans | -95.8 | -43.3 | -173.5 | -71.7 | 173.3 | 0 | 0 | 0 | 114.7 | L832 V833 V836 L864 Y950 L951 K957 P958 L959 | L832-L955 HydrophobicContact CD2-CD1 4.03Å; V833-L955 HydrophobicContact CG2-CD2 4.03Å; V836-L955 HydrophobicContact CB-CD2 4.44Å; V836-L955 HydrophobicContact CG2-CD2 4.44Å; L864-L955 HydrophobicContact CD2-CD1 3.72Å; Y950-L955 PolarHBondContact O-N 3.22Å; L951-L955 PolarHBondContact O-N 3.33Å; L955-K957 PolarHBondContact O-N 3.17Å; L955-P958 VanDerWaalsContact O-CD 3.27Å; L955-P958 WeakPolarHBondContact O-CD 3.46Å; L955-L959 HydrophobicContact CB-CD1 3.94Å; L955-L959 VanDerWaalsContact O-CB 3.27Å; L955-L959 WeakPolarHBondContact O-CB 3.29Å; L955-L959 WeakPolarHBondContact O-CD1 3.39Å; L955-L959 WeakPolarHBondContact O-CG 3.33Å; L955-L959 PolarHBondContact O-N 3.18Å |
| 956 | A | 94.2 | Very high | 92.7 | Very high | 10 Ų | 10 | 35.8 Ų | 35.8 | 8% | 0.083 | 18% | 0.176 | C | C | . | . | I | π-helix | trans | -56.3 | -57.7 | -170.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L951 L959 L960 L976 | L951-A956 VanDerWaalsContact O-CB 3.23Å; L951-A956 WeakPolarHBondContact O-CB 3.34Å; L951-A956 PolarHBondContact O-N 3.3Å; A956-L959 PolarHBondContact O-N 3.44Å; A956-L960 WeakPolarHBondContact O-CB 3.5Å; A956-L960 VanDerWaalsContact O-CG 3.24Å; A956-L960 WeakPolarHBondContact O-CG 3.39Å; A956-L960 PolarHBondContact O-N 2.97Å; A956-L976 HydrophobicContact CB-CD1 3.5Å; A956-L976 HydrophobicContact CB-CD2 4.21Å |
| 957 | K | 91.8 | Very high | 92.5 | Very high | 146 Ų | 146 | 36.7 Ų | 36.7 | 64% | 0.635 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -61.6 | -43.6 | -177.3 | -66.8 | 177.9 | -179 | 175.2 | 0 | 113.2 | L955 R961 | L955-K957 PolarHBondContact O-N 3.17Å; K957-R961 VanDerWaalsContact O-CB 3.31Å; K957-R961 WeakPolarHBondContact O-CB 3.38Å; K957-R961 PolarHBondContact O-N 3.38Å |
| 958 | P | 92.3 | Very high | 92.3 | Very high | 6 Ų | 6 | 37.2 Ų | 37.2 | 4% | 0.039 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.6 | -40 | 175.6 | -26.7 | 38.3 | 0 | 0 | 0 | 114 | E823 V833 L837 Q954 L955 R961 I962 | E823-P958 HydrophobicContact CB-CB 4.26Å; E823-P958 HydrophobicContact CB-CG 4.34Å; E823-P958 HydrophobicContact CG-CB 3.97Å; E823-P958 HydrophobicContact CG-CG 3.65Å; V833-P958 HydrophobicContact CG1-CB 4.2Å; V833-P958 HydrophobicContact CG1-CG 4.1Å; L837-P958 HydrophobicContact CD1-CB 3.65Å; L837-P958 HydrophobicContact CD2-CB 4Å; L837-P958 HydrophobicContact CG-CB 4.4Å; Q954-P958 VanDerWaalsContact O-CD 3.26Å; Q954-P958 WeakPolarHBondContact O-CD 3.34Å; Q954-P958 VanDerWaalsContact O-CG 3.23Å; Q954-P958 WeakPolarHBondContact O-CG 3.49Å; L955-P958 VanDerWaalsContact O-CD 3.27Å; L955-P958 WeakPolarHBondContact O-CD 3.46Å; P958-R961 PolarHBondContact O-N 2.88Å; P958-I962 PolarHBondContact O-N 3.33Å |
| 959 | L | 94.4 | Very high | 91.9 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.6 | -52.3 | 177.6 | -75 | 169.9 | 0 | 0 | 0 | 111.5 | V836 L837 T857 I861 L955 A956 R961 I962 F963 | V836-L959 HydrophobicContact CG1-CD2 3.92Å; L837-L959 HydrophobicContact CD2-CD2 3.96Å; L837-L959 HydrophobicContact CD2-CG 4.37Å; T857-L959 HydrophobicContact CG2-CD1 3.54Å; T857-L959 HydrophobicContact CG2-CD2 3.7Å; T857-L959 HydrophobicContact CG2-CG 4.23Å; I861-L959 HydrophobicContact CD1-CD1 4.44Å; L955-L959 HydrophobicContact CB-CD1 3.94Å; L955-L959 VanDerWaalsContact O-CB 3.27Å; L955-L959 WeakPolarHBondContact O-CB 3.29Å; L955-L959 WeakPolarHBondContact O-CD1 3.39Å; L955-L959 WeakPolarHBondContact O-CG 3.33Å; L955-L959 PolarHBondContact O-N 3.18Å; A956-L959 PolarHBondContact O-N 3.44Å; L959-R961 PolarHBondContact O-N 3.33Å; L959-I962 PolarHBondContact O-N 2.99Å; L959-F963 HydrophobicContact CD2-CE2 4.17Å; L959-F963 WeakPolarHBondContact O-CD2 3.28Å; L959-F963 PolarHBondContact O-N 3.02Å |
| 960 | L | 94 | Very high | 91.7 | Very high | 25 Ų | 25 | 49.3 Ų | 49.3 | 13% | 0.131 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -55 | -41.1 | 177.2 | -67.7 | 171.6 | 0 | 0 | 0 | 110.6 | A956 I962 F963 D964 A971 E972 L976 | A956-L960 WeakPolarHBondContact O-CB 3.5Å; A956-L960 VanDerWaalsContact O-CG 3.24Å; A956-L960 WeakPolarHBondContact O-CG 3.39Å; A956-L960 PolarHBondContact O-N 2.97Å; L960-I962 VanDerWaalsContact C-N 3.28Å; L960-I962 PolarHBondContact O-N 3.43Å; L960-F963 PolarHBondContact O-N 3.03Å; L960-F963 VanDerWaalsContact O-N 3.17Å; L960-D964 WeakPolarHBondContact O-CA 3.43Å; L960-D964 WeakPolarHBondContact O-CB 3.25Å; L960-D964 PolarHBondContact O-N 3.32Å; L960-D964 VanDerWaalsContact O-OD1 3.13Å; L960-A971 HydrophobicContact CD2-CB 4.03Å; L960-E972 HydrophobicContact CD1-CB 4.45Å; L960-E972 HydrophobicContact CD1-CG 4.2Å; L960-E972 VanDerWaalsContact CD2-CA 3.41Å; L960-E972 HydrophobicContact CD2-CB 3.69Å; L960-E972 HydrophobicContact CD2-CG 4.17Å; L960-L976 HydrophobicContact CD1-CD1 4.21Å |
| 961 | R | 90.7 | Very high | 91.4 | Very high | 54 Ų | 54 | 49.3 Ų | 49.3 | 20% | 0.204 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.2 | -33.6 | 178.4 | -168.3 | 174.4 | -31.3 | 114.1 | 5.9 | 114.4 | I798 R802 E823 K957 P958 L959 P965 | I798-R961 HydrophobicContact CB-CG 4.49Å; I798-R961 HydrophobicContact CD1-CG 4.41Å; I798-R961 VanDerWaalsContact CG2-CD 3.46Å; I798-R961 HydrophobicContact CG2-CG 3.12Å; R802-R961 VanDerWaalsContact NH1-NH2 3.18Å; E823-R961 IonicContact OE1-CZ 2.63Å; E823-R961 IonicContact OE1-NH1 3.52Å; E823-R961 PolarHBondContact OE1-NH1 3.2Å; E823-R961 IonicContact OE1-NH2 3.27Å; E823-R961 PolarHBondContact OE1-NH2 2.82Å; E823-R961 IonicContact OE2-CZ 3.97Å; E823-R961 IonicContact OE2-NH1 2.83Å; E823-R961 PolarHBondContact OE2-NH1 3.2Å; K957-R961 VanDerWaalsContact O-CB 3.31Å; K957-R961 WeakPolarHBondContact O-CB 3.38Å; K957-R961 PolarHBondContact O-N 3.38Å; P958-R961 PolarHBondContact O-N 2.88Å; L959-R961 PolarHBondContact O-N 3.33Å; R961-P965 WeakPolarHBondContact O-CD 3.46Å |
| 962 | I | 92.4 | Very high | 91.3 | Very high | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -77.4 | -40.9 | 175.7 | -67.1 | -173.5 | 0 | 0 | 0 | 111.1 | L796 I798 I822 L837 L841 I844 P958 L959 L960 P965 | L796-I962 HydrophobicContact CD2-CG2 4.02Å; I798-I962 HydrophobicContact CD1-CG1 4.4Å; I822-I962 HydrophobicContact CG2-CD1 4.32Å; L837-I962 HydrophobicContact CB-CD1 3.96Å; L837-I962 HydrophobicContact CD2-CD1 3.4Å; L837-I962 VanDerWaalsContact CD2-CD1 3.4Å; L837-I962 HydrophobicContact CD2-CG1 4.24Å; L837-I962 HydrophobicContact CG-CD1 4.14Å; L841-I962 HydrophobicContact CD1-CD1 4.19Å; L841-I962 HydrophobicContact CD2-CD1 4.03Å; L841-I962 HydrophobicContact CD2-CG2 4.13Å; L841-I962 HydrophobicContact CG-CD1 3.94Å; I844-I962 HydrophobicContact CD1-CG2 3.65Å; P958-I962 PolarHBondContact O-N 3.33Å; L959-I962 PolarHBondContact O-N 2.99Å; L960-I962 VanDerWaalsContact C-N 3.28Å; L960-I962 PolarHBondContact O-N 3.43Å; I962-P965 WeakPolarHBondContact O-CD 3.4Å |
| 963 | F | 93.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -89.1 | -25.1 | -172.2 | -76.7 | -78.1 | 0 | 0 | 0 | 114.3 | C840 I844 A853 V854 L959 L960 I966 L967 A971 L975 | C840-F963 HydrophobicContact CB-CE2 4.49Å; C840-F963 HydrophobicContact CB-CZ 4.46Å; I844-F963 HydrophobicContact CD1-CE1 4.11Å; I844-F963 HydrophobicContact CD1-CZ 4.28Å; A853-F963 HydrophobicContact CB-CE1 4Å; A853-F963 HydrophobicContact CB-CZ 3.71Å; V854-F963 HydrophobicContact CG2-CD1 4.07Å; V854-F963 HydrophobicContact CG2-CE1 3.61Å; V854-F963 HydrophobicContact CG2-CZ 4.26Å; L959-F963 HydrophobicContact CD2-CE2 4.17Å; L959-F963 WeakPolarHBondContact O-CD2 3.28Å; L959-F963 PolarHBondContact O-N 3.02Å; L960-F963 PolarHBondContact O-N 3.03Å; L960-F963 VanDerWaalsContact O-N 3.17Å; F963-I966 CarbonylContact O-C 3.53Å; F963-I966 WeakPolarHBondContact O-CA 3.39Å; F963-I966 WeakPolarHBondContact O-CB 3.3Å; F963-I966 PolarHBondContact O-N 2.85Å; F963-L967 HydrophobicContact CB-CD1 4.08Å; F963-L967 HydrophobicContact CB-CG 4.41Å; F963-L967 HydrophobicContact CD1-CD1 3.78Å; F963-L967 HydrophobicContact CD1-CG 4.19Å; F963-L967 HydrophobicContact CG-CD1 4.25Å; F963-L967 PolarHBondContact O-N 3.17Å; F963-A971 HydrophobicContact CB-CB 4.18Å; F963-L975 HydrophobicContact CB-CD1 3.74Å; F963-L975 HydrophobicContact CD2-CD1 3.45Å; F963-L975 VanDerWaalsContact CD2-CD1 3.45Å; F963-L975 HydrophobicContact CD2-CD2 4.37Å; F963-L975 HydrophobicContact CE2-CD1 4.15Å; F963-L975 HydrophobicContact CE2-CD2 4.31Å; F963-L975 HydrophobicContact CG-CD1 3.67Å |
| 964 | D | 91.8 | Very high | 91.2 | Very high | 75 Ų | 75 | 51.2 Ų | 51.2 | 40% | 0.401 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -55.9 | -44.4 | 179.8 | -70 | -14.7 | 0 | 0 | 0 | 112 | L960 I966 G968 A971 | L960-D964 WeakPolarHBondContact O-CA 3.43Å; L960-D964 WeakPolarHBondContact O-CB 3.25Å; L960-D964 PolarHBondContact O-N 3.32Å; L960-D964 VanDerWaalsContact O-OD1 3.13Å; D964-I966 PolarHBondContact O-N 3.36Å; D964-I966 VanDerWaalsContact O-N 3.14Å; D964-G968 VanDerWaalsContact O-CA 3.25Å; D964-G968 WeakPolarHBondContact O-CA 3.29Å; D964-G968 PolarHBondContact O-N 3.41Å; D964-A971 WeakPolarHBondContact OD1-CB 3.49Å |
| 965 | P | 89.8 | Confident | 91.3 | Very high | 40 Ų | 40 | 50.6 Ų | 50.6 | 26% | 0.26 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -67 | -10.9 | 176.2 | -19.5 | 33.9 | 0 | 0 | 0 | 114.6 | L796 I798 R961 I962 | L796-P965 HydrophobicContact CD1-CB 4.01Å; L796-P965 HydrophobicContact CD1-CG 4.26Å; I798-P965 HydrophobicContact CG1-CG 4.49Å; R961-P965 WeakPolarHBondContact O-CD 3.46Å; I962-P965 WeakPolarHBondContact O-CD 3.4Å |
| 966 | I | 89.5 | Confident | 91.2 | Very high | 45 Ų | 45 | 51.2 Ų | 51.2 | 23% | 0.231 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -108.1 | -49.6 | -175.3 | -55.9 | 172.2 | 0 | 0 | 0 | 111 | Y588 L796 I844 P850 F963 D964 | Y588-I966 HydrophobicContact CG-CG1 4.46Å; L796-I966 HydrophobicContact CD1-CD1 4.37Å; L796-I966 HydrophobicContact CD1-CG1 4.26Å; I844-I966 HydrophobicContact CD1-CD1 3.82Å; I844-I966 HydrophobicContact CG1-CD1 4.24Å; I844-I966 HydrophobicContact CG2-CD1 3.84Å; P850-I966 HydrophobicContact CB-CG2 3.92Å; P850-I966 HydrophobicContact CG-CG2 4.12Å; F963-I966 CarbonylContact O-C 3.53Å; F963-I966 WeakPolarHBondContact O-CA 3.39Å; F963-I966 WeakPolarHBondContact O-CB 3.3Å; F963-I966 PolarHBondContact O-N 2.85Å; D964-I966 PolarHBondContact O-N 3.36Å; D964-I966 VanDerWaalsContact O-N 3.14Å |
| 967 | L | 89.4 | Confident | 91 | Very high | 47 Ų | 47 | 56.1 Ų | 56.1 | 25% | 0.246 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -99.4 | -12.4 | -174.4 | -57.6 | -178.8 | 0 | 0 | 0 | 113.2 | V854 F963 A971 | V854-L967 HydrophobicContact CG2-CD1 3.83Å; F963-L967 HydrophobicContact CB-CD1 4.08Å; F963-L967 HydrophobicContact CB-CG 4.41Å; F963-L967 HydrophobicContact CD1-CD1 3.78Å; F963-L967 HydrophobicContact CD1-CG 4.19Å; F963-L967 HydrophobicContact CG-CD1 4.25Å; F963-L967 PolarHBondContact O-N 3.17Å; L967-A971 HydrophobicContact CB-CB 4.07Å; L967-A971 HydrophobicContact CD1-CB 4.4Å |
| 968 | G | 88.1 | Confident | 91 | Very high | 33 Ų | 33 | 50.7 Ų | 50.7 | 34% | 0.34 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | 66.3 | -155.4 | -174 | 0 | 0 | 0 | 0 | 0 | 112.9 | D964 K970 A971 | D964-G968 VanDerWaalsContact O-CA 3.25Å; D964-G968 WeakPolarHBondContact O-CA 3.29Å; D964-G968 PolarHBondContact O-N 3.41Å; G968-K970 PolarHBondContact O-N 3.25Å; G968-A971 WeakPolarHBondContact O-CB 3.5Å; G968-A971 PolarHBondContact O-N 3.12Å |
| 969 | E | 84.4 | Confident | 90.8 | Very high | 199 Ų | 199 | 57.7 Ų | 57.7 | 93% | 0.93 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -60 | -17.4 | -174.2 | -61.8 | -179.7 | 171.5 | 0 | 0 | 114.4 | A971 | E969-A971 VanDerWaalsContact C-N 3.29Å; E969-A971 PolarHBondContact O-N 3.24Å |
| 970 | K | 88.3 | Confident | 90.7 | Very high | 151 Ų | 151 | 59 Ų | 59 | 66% | 0.657 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -78.1 | -11.7 | 178.5 | -64.6 | -176.5 | -178.8 | 178.9 | 0 | 113.4 | G968 E972 S973 I974 | G968-K970 PolarHBondContact O-N 3.25Å; K970-E972 VanDerWaalsContact C-N 3.26Å; K970-E972 PolarHBondContact O-N 3.26Å; K970-S973 PolarHBondContact O-N 2.96Å; K970-S973 VanDerWaalsContact O-N 3.15Å; K970-S973 PolarHBondContact O-OG 3.06Å; K970-I974 HydrophobicContact CB-CD1 3.94Å; K970-I974 WeakPolarHBondContact O-CG1 3.19Å; K970-I974 PolarHBondContact O-N 2.97Å; K970-I974 VanDerWaalsContact O-N 3.1Å |
| 971 | A | 89.1 | Confident | 90.5 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -51.4 | -44.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L960 F963 D964 L967 G968 E969 I974 L975 | L960-A971 HydrophobicContact CD2-CB 4.03Å; F963-A971 HydrophobicContact CB-CB 4.18Å; D964-A971 WeakPolarHBondContact OD1-CB 3.49Å; L967-A971 HydrophobicContact CB-CB 4.07Å; L967-A971 HydrophobicContact CD1-CB 4.4Å; G968-A971 WeakPolarHBondContact O-CB 3.5Å; G968-A971 PolarHBondContact O-N 3.12Å; E969-A971 VanDerWaalsContact C-N 3.29Å; E969-A971 PolarHBondContact O-N 3.24Å; A971-I974 PolarHBondContact O-N 2.75Å; A971-L975 WeakPolarHBondContact O-CB 3.24Å; A971-L975 VanDerWaalsContact O-CG 3.27Å; A971-L975 WeakPolarHBondContact O-CG 3.46Å; A971-L975 PolarHBondContact O-N 3.27Å |
| 972 | E | 91.9 | Very high | 90.4 | Very high | 102 Ų | 102 | 65.7 Ų | 65.7 | 48% | 0.477 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.1 | -50.2 | 179.4 | -164.4 | 173.5 | 175 | 0 | 0 | 112.6 | L960 K970 I974 L975 L976 | L960-E972 HydrophobicContact CD1-CB 4.45Å; L960-E972 HydrophobicContact CD1-CG 4.2Å; L960-E972 VanDerWaalsContact CD2-CA 3.41Å; L960-E972 HydrophobicContact CD2-CB 3.69Å; L960-E972 HydrophobicContact CD2-CG 4.17Å; K970-E972 VanDerWaalsContact C-N 3.26Å; K970-E972 PolarHBondContact O-N 3.26Å; E972-I974 VanDerWaalsContact C-N 3.25Å; E972-I974 PolarHBondContact O-N 3.11Å; E972-L975 PolarHBondContact O-N 3.03Å; E972-L976 HydrophobicContact CG-CD1 3.92Å; E972-L976 HydrophobicContact CG-CG 4.43Å; E972-L976 WeakPolarHBondContact O-CB 3.46Å; E972-L976 PolarHBondContact O-N 3.34Å |
| 973 | S | 91.8 | Very high | 90 | Very high | 66 Ų | 66 | 70 Ų | 70 | 46% | 0.462 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.3 | -30.3 | -180 | 68.5 | 0 | 0 | 0 | 0 | 113.5 | K970 | K970-S973 PolarHBondContact O-N 2.96Å; K970-S973 VanDerWaalsContact O-N 3.15Å; K970-S973 PolarHBondContact O-OG 3.06Å |
| 974 | I | 91.8 | Very high | 89.5 | Confident | 59 Ų | 59 | 74.9 Ų | 74.9 | 30% | 0.303 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -82.1 | -40.7 | -178.6 | -66.9 | 167.5 | 0 | 0 | 0 | 111.3 | V854 K858 K970 A971 E972 | V854-I974 HydrophobicContact CG1-CG2 3.71Å; K858-I974 VanDerWaalsContact CE-O 3.28Å; K858-I974 WeakPolarHBondContact CE-O 3.34Å; K970-I974 HydrophobicContact CB-CD1 3.94Å; K970-I974 WeakPolarHBondContact O-CG1 3.19Å; K970-I974 PolarHBondContact O-N 2.97Å; K970-I974 VanDerWaalsContact O-N 3.1Å; A971-I974 PolarHBondContact O-N 2.75Å; E972-I974 VanDerWaalsContact C-N 3.25Å; E972-I974 PolarHBondContact O-N 3.11Å |
| 975 | L | 92.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -89 | -43.6 | -171.5 | -65.5 | 171.7 | 0 | 0 | 0 | 112.5 | V854 T857 I861 F963 A971 E972 H980 | V854-L975 HydrophobicContact CB-CD2 4.33Å; V854-L975 HydrophobicContact CG1-CD2 4.04Å; V854-L975 HydrophobicContact CG2-CD2 4.15Å; T857-L975 HydrophobicContact CG2-CD2 3.97Å; I861-L975 WeakPolarHBondContact CD1-O 3.49Å; F963-L975 HydrophobicContact CB-CD1 3.74Å; F963-L975 HydrophobicContact CD2-CD1 3.45Å; F963-L975 VanDerWaalsContact CD2-CD1 3.45Å; F963-L975 HydrophobicContact CD2-CD2 4.37Å; F963-L975 HydrophobicContact CE2-CD1 4.15Å; F963-L975 HydrophobicContact CE2-CD2 4.31Å; F963-L975 HydrophobicContact CG-CD1 3.67Å; A971-L975 WeakPolarHBondContact O-CB 3.24Å; A971-L975 VanDerWaalsContact O-CG 3.27Å; A971-L975 WeakPolarHBondContact O-CG 3.46Å; A971-L975 PolarHBondContact O-N 3.27Å; E972-L975 PolarHBondContact O-N 3.03Å; L975-H980 PolarHBondContact O-NE2 3.32Å |
| 976 | L | 93.1 | Very high | 88 | Confident | 16 Ų | 16 | 79.7 Ų | 79.7 | 8% | 0.084 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | -7.8 | -168.7 | -52.9 | -173.2 | 0 | 0 | 0 | 113.5 | I861 L951 A956 L960 E972 T981 | I861-L976 HydrophobicContact CD1-CD2 4.17Å; L951-L976 HydrophobicContact CD1-CD2 4.05Å; A956-L976 HydrophobicContact CB-CD1 3.5Å; A956-L976 HydrophobicContact CB-CD2 4.21Å; L960-L976 HydrophobicContact CD1-CD1 4.21Å; E972-L976 HydrophobicContact CG-CD1 3.92Å; E972-L976 HydrophobicContact CG-CG 4.43Å; E972-L976 WeakPolarHBondContact O-CB 3.46Å; E972-L976 PolarHBondContact O-N 3.34Å; L976-T981 WeakPolarHBondContact O-CG2 3.21Å |
| 977 | H | 90.8 | Very high | 87.3 | Confident | 112 Ų | 112 | 79 Ų | 79 | 52% | 0.519 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -133.3 | 143.4 | 179.5 | -57.6 | -44.4 | 0 | 0 | 0 | 110.3 | H980 | H977-H980 PolarHBondContact O-CE1 2.76Å; H977-H980 VanDerWaalsContact O-CE1 3.32Å |
| 978 | G | 89.8 | Confident | 86.7 | Confident | 32 Ų | 32 | 83.5 Ų | 83.5 | 33% | 0.33 | 42% | 0.423 | S | S | . | . | S | Bend | trans | 144.3 | -176.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | H980 T981 | G978-H980 PolarHBondContact O-N 3.22Å; G978-T981 PolarHBondContact N-OG1 3.41Å; G978-T981 PolarHBondContact O-N 3.37Å; G978-T981 VanDerWaalsContact O-N 3.08Å; G978-T981 PolarHBondContact O-OG1 3.02Å |
| 979 | E | 89.1 | Confident | 86.3 | Confident | 153 Ų | 153 | 82.9 Ų | 82.9 | 72% | 0.715 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -58.4 | -36.3 | -178.3 | -63.3 | -173.2 | 161.3 | 0 | 0 | 112.5 | T981 R982 | E979-T981 PolarHBondContact O-N 2.9Å; E979-R982 PolarHBondContact O-N 2.93Å; E979-R982 VanDerWaalsContact O-N 3.16Å |
| 980 | H | 91.3 | Very high | 85.9 | Confident | 29 Ų | 29 | 78.2 Ų | 78.2 | 13% | 0.134 | 39% | 0.39 | C | S | . | . | G | 310 helix | trans | -63.7 | -11.6 | 177.8 | 63.3 | -72.7 | 0 | 0 | 0 | 114.5 | K858 S862 L975 H977 G978 | K858-H980 HydrophobicContact CB-CB 4.16Å; S862-H980 WeakPolarHBondContact CA-O 3.42Å; L975-H980 PolarHBondContact O-NE2 3.32Å; H977-H980 PolarHBondContact O-CE1 2.76Å; H977-H980 VanDerWaalsContact O-CE1 3.32Å; G978-H980 PolarHBondContact O-N 3.22Å |
| 981 | T | 90.8 | Very high | 85.3 | Confident | 27 Ų | 27 | 73.4 Ų | 73.4 | 17% | 0.166 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -105.5 | -6.1 | 178.8 | 65.9 | 0 | 0 | 0 | 0 | 114.6 | I861 L865 L976 G978 E979 | I861-T981 HydrophobicContact CG2-CG2 3.88Å; L865-T981 HydrophobicContact CD1-CG2 4.25Å; L976-T981 WeakPolarHBondContact O-CG2 3.21Å; G978-T981 PolarHBondContact N-OG1 3.41Å; G978-T981 PolarHBondContact O-N 3.37Å; G978-T981 VanDerWaalsContact O-N 3.08Å; G978-T981 PolarHBondContact O-OG1 3.02Å; E979-T981 PolarHBondContact O-N 2.9Å |
| 982 | R | 87.6 | Confident | 84.3 | Confident | 192 Ų | 192 | 75.9 Ų | 75.9 | 73% | 0.725 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -33.7 | -172.7 | -68.8 | -178.1 | 175.3 | 166.8 | -2.3 | 113.4 | E979 | E979-R982 PolarHBondContact O-N 2.93Å; E979-R982 VanDerWaalsContact O-N 3.16Å |
| 983 | T | 84.7 | Confident | 83.1 | Confident | 91 Ų | 91 | 73.8 Ų | 73.8 | 56% | 0.558 | 41% | 0.405 | S | S | * | . | trans | -90.8 | 127 | -178.5 | -53.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 984 | K | 82.7 | Confident | 81.6 | Confident | 103 Ų | 103 | 77.7 Ų | 77.7 | 45% | 0.448 | 42% | 0.42 | S | S | . | . | trans | -131.5 | 134.2 | 177.2 | -61.1 | -171.6 | 177.5 | -168.3 | 0 | 109.8 | L865 | L865-K984 HydrophobicContact CB-CG 4.32Å; L865-K984 HydrophobicContact CD2-CD 4.49Å; L865-K984 WeakPolarHBondContact O-CA 3.43Å | ||
| 985 | T | 79.7 | Confident | 80.2 | Confident | 75 Ų | 75 | 78.8 Ų | 78.8 | 46% | 0.46 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -100.4 | 122.6 | 175 | -54.4 | 0 | 0 | 0 | 0 | 108.6 | L865 C866 | L865-T985 PolarHBondContact O-N 3.21Å; C866-T985 WeakPolarHBondContact O-CB 3.34Å; C866-T985 PolarHBondContact O-OG1 2.95Å |
| 986 | L | 70.9 | Confident | 78.8 | Confident | 141 Ų | 141 | 82.9 Ų | 82.9 | 74% | 0.738 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -100.2 | 128.3 | 179.3 | -67.9 | 170.4 | 0 | 0 | 0 | 110.4 | ||
| 987 | V | 75.9 | Confident | 77.8 | Confident | 32 Ų | 32 | 90.8 Ų | 90.8 | 19% | 0.194 | 49% | 0.493 | C | S | . | . | P | Polyproline II helix | trans | -94.9 | 145.1 | 170.8 | -175.7 | 0 | 0 | 0 | 0 | 109 | N867 N942 P944 | N867-V987 HydrophobicContact CB-CG2 4.47Å; N867-V987 WeakPolarHBondContact ND2-CG2 3.46Å; N942-V987 VanDerWaalsContact CG-CG1 3.49Å; N942-V987 WeakPolarHBondContact ND2-CG1 3.22Å; N942-V987 VanDerWaalsContact OD1-CG1 3.3Å; N942-V987 WeakPolarHBondContact OD1-CG1 3.44Å; P944-V987 HydrophobicContact CB-CB 4.41Å; P944-V987 WeakPolarHBondContact CB-O 3.44Å |
| 988 | H | 76.9 | Confident | 77 | Confident | 140 Ų | 140 | 89.4 Ų | 89.4 | 65% | 0.648 | 49% | 0.492 | S | S | * | . | trans | -104 | 126.2 | 176.1 | -60.1 | -68.8 | 0 | 0 | 0 | 110.2 | M995 | H988-M995 HydrophobicContact CB-CE 4.05Š| ||
| 989 | S | 79.7 | Confident | 76.2 | Confident | 20 Ų | 20 | 99 Ų | 99 | 14% | 0.14 | 52% | 0.518 | C | S | . | . | trans | -62.7 | 143.3 | 177.9 | -172.1 | 0 | 0 | 0 | 0 | 111.8 | N941 N942 V991 M995 | N941-S989 PolarHBondContact O-OG 3.48Å; N942-S989 VanDerWaalsContact O-CA 3.32Å; N942-S989 WeakPolarHBondContact O-CA 3.45Å; S989-V991 WeakPolarHBondContact CB-O 3.45Å; S989-V991 WeakPolarHBondContact OG-CG2 3.33Å; S989-V991 PolarHBondContact OG-N 3.32Å; S989-V991 VanDerWaalsContact OG-N 3.17Å; S989-V991 PolarHBondContact OG-O 2.96Å; S989-M995 WeakPolarHBondContact O-CE 3.47Å; S989-M995 WeakPolarHBondContact O-CG 3.45Å | ||
| 990 | K | 76.1 | Confident | 75.4 | Confident | 102 Ų | 102 | 100.1 Ų | 100.1 | 44% | 0.443 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -76.8 | -11.7 | 169.9 | -65.9 | 179.4 | 179.5 | 179.2 | 0 | 112.2 | N941 N942 D1083 | N941-K990 WeakPolarHBondContact O-CB 3.5Å; N941-K990 PolarHBondContact O-N 3.35Å; N942-K990 HydrophobicContact CB-CD 4.25Å; N942-K990 HydrophobicContact CB-CG 4.07Å; K990-D1083 IonicContact NZ-OD1 3.7Å; K990-D1083 IonicContact NZ-OD2 3.49Å; K990-D1083 PolarHBondContact NZ-OD2 3.3Å |
| 991 | V | 74.4 | Confident | 75 | Confident | 49 Ų | 49 | 105.9 Ų | 105.9 | 30% | 0.297 | 55% | 0.545 | S | S | . | . | trans | -123.7 | 159.6 | -177.6 | -63.9 | 0 | 0 | 0 | 0 | 111.7 | N941 I943 S989 | N941-V991 HydrophobicContact CB-CG1 4.05Å; N941-V991 HydrophobicContact CB-CG2 3.86Å; N941-V991 WeakPolarHBondContact OD1-CG1 3.35Å; I943-V991 HydrophobicContact CD1-CG2 4.05Å; I943-V991 HydrophobicContact CG1-CG2 4.08Å; S989-V991 WeakPolarHBondContact CB-O 3.45Å; S989-V991 WeakPolarHBondContact OG-CG2 3.33Å; S989-V991 PolarHBondContact OG-N 3.32Å; S989-V991 VanDerWaalsContact OG-N 3.17Å; S989-V991 PolarHBondContact OG-O 2.96Å | ||
| 992 | G | 69.2 | Low | 74.8 | Confident | 52 Ų | 52 | 107.2 Ų | 107.2 | 54% | 0.536 | 55% | 0.55 | S | S | . | . | S | Bend | trans | 123.8 | 156.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | L994 M995 A996 | G992-L994 VanDerWaalsContact C-N 3.31Å; G992-L994 PolarHBondContact O-N 3.4Å; G992-M995 PolarHBondContact O-N 2.96Å; G992-M995 VanDerWaalsContact O-N 3.15Å; G992-A996 PolarHBondContact O-N 2.81Å |
| 993 | G | 65.6 | Low | 74.9 | Confident | 59 Ų | 59 | 100.3 Ų | 100.3 | 61% | 0.608 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -37 | -172 | 0 | 0 | 0 | 0 | 0 | 114.4 | F997 | G993-F997 WeakPolarHBondContact O-CD2 3.44Å; G993-F997 VanDerWaalsContact O-CE2 3.26Å; G993-F997 WeakPolarHBondContact O-CE2 3.48Å |
| 994 | L | 60.4 | Low | 75.2 | Confident | 148 Ų | 148 | 96 Ų | 96 | 78% | 0.775 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -36.2 | 178.1 | -87.9 | 138 | 0 | 0 | 0 | 113.2 | G992 A996 F997 T998 | G992-L994 VanDerWaalsContact C-N 3.31Å; G992-L994 PolarHBondContact O-N 3.4Å; L994-A996 PolarHBondContact O-N 3.39Å; L994-F997 PolarHBondContact O-N 2.82Å; L994-F997 VanDerWaalsContact O-N 3.07Å; L994-T998 PolarHBondContact O-N 2.93Å; L994-T998 PolarHBondContact O-OG1 3.19Å; L994-T998 VanDerWaalsContact O-OG1 3.11Å |
| 995 | M | 62.2 | Low | 75.6 | Confident | 82 Ų | 82 | 91.3 Ų | 91.3 | 40% | 0.404 | 48% | 0.482 | S | S | . | . | G | 310 helix | trans | -68.5 | -25.2 | 179.9 | -76.5 | -61.5 | -120.8 | 0 | 0 | 112.8 | H988 S989 G992 F997 T998 | H988-M995 HydrophobicContact CB-CE 4.05Å; S989-M995 WeakPolarHBondContact O-CE 3.47Å; S989-M995 WeakPolarHBondContact O-CG 3.45Å; G992-M995 PolarHBondContact O-N 2.96Å; G992-M995 VanDerWaalsContact O-N 3.15Å; M995-F997 PolarHBondContact O-N 3.37Å; M995-T998 PolarHBondContact O-N 3.23Å; M995-T998 HydrophobicContact SD-CG2 4.39Å |
| 996 | A | 64.5 | Low | 76 | Confident | 86 Ų | 86 | 89 Ų | 89 | 71% | 0.711 | 47% | 0.474 | S | S | * | . | G | 310 helix | trans | -61 | -22.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | G992 L994 | G992-A996 PolarHBondContact O-N 2.81Å; L994-A996 PolarHBondContact O-N 3.39Å |
| 997 | F | 72.5 | Confident | 76.9 | Confident | 182 Ų | 182 | 85.1 Ų | 85.1 | 80% | 0.798 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -104.6 | -7.9 | 179.1 | -56.8 | -77 | 0 | 0 | 0 | 113.7 | G993 L994 M995 R999 | G993-F997 WeakPolarHBondContact O-CD2 3.44Å; G993-F997 VanDerWaalsContact O-CE2 3.26Å; G993-F997 WeakPolarHBondContact O-CE2 3.48Å; L994-F997 PolarHBondContact O-N 2.82Å; L994-F997 VanDerWaalsContact O-N 3.07Å; M995-F997 PolarHBondContact O-N 3.37Å; F997-R999 PolarHBondContact O-N 3.44Å |
| 998 | T | 72.7 | Confident | 77.6 | Confident | 83 Ų | 83 | 89.7 Ų | 89.7 | 51% | 0.509 | 48% | 0.475 | S | S | . | . | trans | -85.8 | 109.7 | -177.6 | -56.4 | 0 | 0 | 0 | 0 | 110.5 | L994 M995 K1000 | L994-T998 PolarHBondContact O-N 2.93Å; L994-T998 PolarHBondContact O-OG1 3.19Å; L994-T998 VanDerWaalsContact O-OG1 3.11Å; M995-T998 PolarHBondContact O-N 3.23Å; M995-T998 HydrophobicContact SD-CG2 4.39Å; T998-K1000 PolarHBondContact O-N 3.1Å | ||
| 999 | R | 72.5 | Confident | 78.2 | Confident | 233 Ų | 233 | 87 Ų | 87 | 88% | 0.879 | 47% | 0.468 | S | S | * | . | trans | -79.4 | 110.3 | 164.6 | -77.3 | -172.1 | -179.7 | -174.9 | 1.1 | 109.6 | F997 K1001 | F997-R999 PolarHBondContact O-N 3.44Å; R999-K1001 PolarHBondContact O-N 3.08Å | ||
| 1000 | K | 73.6 | Confident | 78.6 | Confident | 176 Ų | 176 | 89.8 Ų | 89.8 | 77% | 0.765 | 48% | 0.484 | S | S | * | . | trans | -64.7 | 114.8 | 171.9 | -169.5 | 178.8 | 179.3 | -173.5 | 0 | 108.8 | T998 | T998-K1000 PolarHBondContact O-N 3.1Š| ||
| 1001 | K | 82.4 | Confident | 79.1 | Confident | 150 Ų | 150 | 85.7 Ų | 85.7 | 65% | 0.652 | 47% | 0.467 | S | S | * | . | trans | -90.7 | 137.7 | 168.5 | -65.1 | -170.8 | 178.2 | -176.4 | 0 | 108.7 | R999 V1010 | R999-K1001 PolarHBondContact O-N 3.08Å; K1001-V1010 HydrophobicContact CB-CG1 3.81Å; K1001-V1010 HydrophobicContact CD-CG1 3.68Å; K1001-V1010 HydrophobicContact CG-CG1 4.4Å | ||
| 1002 | E | 85.8 | Confident | 79.5 | Confident | 55 Ų | 55 | 90.2 Ų | 90.2 | 26% | 0.257 | 50% | 0.498 | S | S | . | . | trans | -67.7 | 138.7 | 175.1 | -70 | -58.3 | 151 | 0 | 0 | 110.2 | L1011 R1090 | E1002-L1011 HydrophobicContact CB-CB 4.49Å; E1002-L1011 HydrophobicContact CB-CD1 4.38Å; E1002-L1011 WeakPolarHBondContact O-CB 3.3Å; E1002-L1011 PolarHBondContact O-N 2.96Å; E1002-R1090 IonicContact OE2-CZ 2.94Å; E1002-R1090 IonicContact OE2-NE 3.12Å; E1002-R1090 PolarHBondContact OE2-NE 3.24Å; E1002-R1090 VanDerWaalsContact OE2-NE 3.12Å; E1002-R1090 IonicContact OE2-NH1 2.83Å; E1002-R1090 PolarHBondContact OE2-NH1 3.21Å; E1002-R1090 IonicContact OE2-NH2 3.64Å | ||
| 1003 | T | 89.9 | Confident | 80.2 | Confident | 47 Ų | 47 | 89.8 Ų | 89.8 | 29% | 0.288 | 49% | 0.493 | S | S | . | . | B | Isolated β-bridge | trans | -120.2 | 140.3 | 178.9 | 57 | 0 | 0 | 0 | 0 | 109.8 | L1005 V1009 V1010 R1090 | T1003-L1005 PolarHBondContact O-N 3.27Å; T1003-V1009 CarbonylContact C-O 3.46Å; T1003-V1009 VanDerWaalsContact CA-O 3.27Å; T1003-V1009 WeakPolarHBondContact CA-O 3.29Å; T1003-V1010 HydrophobicContact CG2-CG2 4.25Å; T1003-R1090 PolarHBondContact O-NH1 2.77Å; T1003-R1090 PolarHBondContact O-NH2 3.28Å |
| 1004 | C | 92.1 | Very high | 80.9 | Confident | 0 Ų | 0 | 94.3 Ų | 94.3 | 0% | 0 | 50% | 0.496 | C | S | . | . | trans | -49.2 | 127.8 | 175.2 | 176 | 0 | 0 | 0 | 0 | 111.2 | G1006 C1007 K1008 V1009 L1011 A1016 C1018 C1021 | C1004-G1006 VanDerWaalsContact C-N 3.26Å; C1004-G1006 PolarHBondContact O-N 3.38Å; C1004-G1006 PolarHBondContact SG-N 3.14Å; C1004-C1007 VanDerWaalsContact SG-SG 3.64Å; C1004-K1008 WeakPolarHBondContact O-CA 3.43Å; C1004-K1008 PolarHBondContact O-N 2.97Å; C1004-V1009 PolarHBondContact N-O 2.91Å; C1004-L1011 HydrophobicContact CB-CD2 4.05Å; C1004-L1011 HydrophobicContact CB-CG 4.49Å; C1004-A1016 CarbonylContact C-O 3.59Å; C1004-A1016 WeakPolarHBondContact CA-O 3.38Å; C1004-C1018 HydrophobicContact CB-CB 4.02Å; C1004-C1018 PolarHBondContact SG-N 3.02Å; C1004-C1021 VanDerWaalsContact SG-CB 3.53Å | ||
| 1005 | L | 90.4 | Very high | 82.1 | Confident | 5 Ų | 5 | 88 Ų | 88 | 3% | 0.026 | 47% | 0.467 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -26.3 | -178.5 | -64.7 | 178.2 | 0 | 0 | 0 | 112.9 | T1003 A1016 I1028 R1031 E1032 L1087 F1091 | T1003-L1005 PolarHBondContact O-N 3.27Å; L1005-A1016 HydrophobicContact CD1-CB 4.03Å; L1005-A1016 WeakPolarHBondContact CG-O 3.49Å; L1005-A1016 PolarHBondContact N-O 3.48Å; L1005-I1028 HydrophobicContact CB-CG2 3.74Å; L1005-R1031 PolarHBondContact O-NH2 2.99Å; L1005-E1032 HydrophobicContact CD1-CG 4.23Å; L1005-L1087 HydrophobicContact CD2-CD2 4.09Å; L1005-F1091 HydrophobicContact CD1-CD2 4.38Å; L1005-F1091 HydrophobicContact CD1-CE2 3.5Å; L1005-F1091 VanDerWaalsContact CD1-CE2 3.5Å; L1005-F1091 HydrophobicContact CD1-CZ 3.81Å |
| 1006 | G | 88.5 | Confident | 83.3 | Confident | 28 Ų | 28 | 84.2 Ų | 84.2 | 29% | 0.289 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -70.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | C1004 | C1004-G1006 VanDerWaalsContact C-N 3.26Å; C1004-G1006 PolarHBondContact O-N 3.38Å; C1004-G1006 PolarHBondContact SG-N 3.14Å |
| 1007 | C | 90.5 | Very high | 84.6 | Confident | 58 Ų | 58 | 81 Ų | 81 | 39% | 0.392 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | -0.1 | -170.8 | 65.7 | 0 | 0 | 0 | 0 | 116.1 | C1004 V1009 C1021 | C1004-C1007 VanDerWaalsContact SG-SG 3.64Å; C1007-V1009 PolarHBondContact O-N 3.47Å; C1007-V1009 VanDerWaalsContact SG-CG2 3.53Å; C1007-C1021 VanDerWaalsContact SG-SG 3.67Å |
| 1008 | K | 88.9 | Confident | 85.5 | Confident | 128 Ų | 128 | 73.3 Ų | 73.3 | 56% | 0.557 | 39% | 0.389 | S | S | * | . | trans | 65.1 | 9.9 | -177.9 | -48.7 | -57.6 | -176.4 | -168.9 | 0 | 116.6 | C1004 | C1004-K1008 WeakPolarHBondContact O-CA 3.43Å; C1004-K1008 PolarHBondContact O-N 2.97Å | ||
| 1009 | V | 89.7 | Confident | 86.2 | Confident | 83 Ų | 83 | 78.3 Ų | 78.3 | 50% | 0.503 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 140.6 | 171 | 172.8 | 0 | 0 | 0 | 0 | 110.8 | T1003 C1004 C1007 L1011 | T1003-V1009 CarbonylContact C-O 3.46Å; T1003-V1009 VanDerWaalsContact CA-O 3.27Å; T1003-V1009 WeakPolarHBondContact CA-O 3.29Å; C1004-V1009 PolarHBondContact N-O 2.91Å; C1007-V1009 PolarHBondContact O-N 3.47Å; C1007-V1009 VanDerWaalsContact SG-CG2 3.53Å; V1009-L1011 PolarHBondContact O-N 3.15Å |
| 1010 | V | 88.5 | Confident | 87 | Confident | 79 Ų | 79 | 75.1 Ų | 75.1 | 48% | 0.479 | 40% | 0.401 | S | S | . | . | B | Isolated β-bridge | trans | -64.8 | 130.5 | 177.6 | 179.5 | 0 | 0 | 0 | 0 | 110.6 | K1001 T1003 | K1001-V1010 HydrophobicContact CB-CG1 3.81Å; K1001-V1010 HydrophobicContact CD-CG1 3.68Å; K1001-V1010 HydrophobicContact CG-CG1 4.4Å; T1003-V1010 HydrophobicContact CG2-CG2 4.25Å |
| 1011 | L | 88.1 | Confident | 87.8 | Confident | 16 Ų | 16 | 67.3 Ų | 67.3 | 8% | 0.084 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -87.8 | 145.3 | 177.7 | -61.8 | 175.4 | 0 | 0 | 0 | 110.9 | E1002 C1004 V1009 G1013 G1015 C1018 | E1002-L1011 HydrophobicContact CB-CB 4.49Å; E1002-L1011 HydrophobicContact CB-CD1 4.38Å; E1002-L1011 WeakPolarHBondContact O-CB 3.3Å; E1002-L1011 PolarHBondContact O-N 2.96Å; C1004-L1011 HydrophobicContact CB-CD2 4.05Å; C1004-L1011 HydrophobicContact CB-CG 4.49Å; V1009-L1011 PolarHBondContact O-N 3.15Å; L1011-G1013 WeakPolarHBondContact CB-O 3.47Å; L1011-G1013 PolarHBondContact O-N 3.42Å; L1011-G1015 WeakPolarHBondContact CD1-O 3.29Å; L1011-C1018 HydrophobicContact CD2-CB 3.76Å |
| 1012 | P | 82.1 | Confident | 88.1 | Confident | 145 Ų | 145 | 64.2 Ų | 64.2 | 94% | 0.942 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -69.9 | -22.3 | 176.8 | 27.9 | -33.7 | 0 | 0 | 0 | 112.8 | ||
| 1013 | G | 82.7 | Confident | 88.3 | Confident | 43 Ų | 43 | 65.6 Ų | 65.6 | 44% | 0.443 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -148.2 | -163 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1011 | L1011-G1013 WeakPolarHBondContact CB-O 3.47Å; L1011-G1013 PolarHBondContact O-N 3.42Å |
| 1014 | K | 81.1 | Confident | 88.4 | Confident | 154 Ų | 154 | 67.8 Ų | 67.8 | 67% | 0.67 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -72.7 | 141.2 | 173.4 | -71 | -176.3 | 158.8 | -146.1 | 0 | 110.5 | E1093 | K1014-E1093 WeakPolarHBondContact CB-OE2 3.02Å; K1014-E1093 IonicContact NZ-OE1 2.81Å; K1014-E1093 PolarHBondContact NZ-OE1 3.33Å |
| 1015 | G | 85.1 | Confident | 88.4 | Confident | 15 Ų | 15 | 69.3 Ų | 69.3 | 16% | 0.155 | 39% | 0.393 | C | S | . | . | trans | 153.3 | 167.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1011 R1090 | L1011-G1015 WeakPolarHBondContact CD1-O 3.29Å; G1015-R1090 CarbonylContact C-O 3.56Å; G1015-R1090 VanDerWaalsContact O-CZ 3.26Å; G1015-R1090 PolarHBondContact O-NE 3.45Å; G1015-R1090 PolarHBondContact O-NH2 3.44Å | ||
| 1016 | A | 88.9 | Confident | 88.4 | Confident | 3 Ų | 3 | 72.8 Ų | 72.8 | 3% | 0.025 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -90.7 | -39.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114 | C1004 L1005 R1090 F1091 | C1004-A1016 CarbonylContact C-O 3.59Å; C1004-A1016 WeakPolarHBondContact CA-O 3.38Å; L1005-A1016 HydrophobicContact CD1-CB 4.03Å; L1005-A1016 WeakPolarHBondContact CG-O 3.49Å; L1005-A1016 PolarHBondContact N-O 3.48Å; A1016-R1090 HydrophobicContact CB-CB 4.1Å; A1016-R1090 PolarHBondContact N-O 3.35Å; A1016-F1091 HydrophobicContact CB-CB 4.39Å; A1016-F1091 HydrophobicContact CB-CD1 3.43Å; A1016-F1091 VanDerWaalsContact CB-CD1 3.43Å; A1016-F1091 HydrophobicContact CB-CD2 3.75Å; A1016-F1091 HydrophobicContact CB-CE1 3.54Å; A1016-F1091 HydrophobicContact CB-CE2 3.87Å; A1016-F1091 HydrophobicContact CB-CG 3.56Å; A1016-F1091 HydrophobicContact CB-CZ 3.77Å |
| 1017 | T | 91.7 | Very high | 88.7 | Confident | 18 Ų | 18 | 77.4 Ų | 77.4 | 11% | 0.11 | 43% | 0.432 | C | S | . | . | trans | -126.7 | 152.6 | -170.5 | 61.8 | 0 | 0 | 0 | 0 | 112.1 | C1021 E1025 I1028 F1091 | T1017-C1021 HydrophobicContact CG2-CB 4.37Å; T1017-E1025 HydrophobicContact CG2-CB 4.16Å; T1017-E1025 HydrophobicContact CG2-CG 3.87Å; T1017-E1025 PolarHBondContact OG1-OE1 3.18Å; T1017-I1028 HydrophobicContact CG2-CD1 3.9Å; T1017-F1091 HydrophobicContact CG2-CE1 4.29Å | ||
| 1018 | C | 91.2 | Very high | 88.8 | Confident | 21 Ų | 21 | 75 Ų | 75 | 14% | 0.142 | 42% | 0.415 | C | S | . | . | trans | -83.4 | 166.5 | 168.1 | 68.5 | 0 | 0 | 0 | 0 | 110 | C1004 L1011 H1020 C1021 K1022 | C1004-C1018 HydrophobicContact CB-CB 4.02Å; C1004-C1018 PolarHBondContact SG-N 3.02Å; L1011-C1018 HydrophobicContact CD2-CB 3.76Å; C1018-H1020 PolarHBondContact O-N 2.85Å; C1018-H1020 VanDerWaalsContact O-N 3.14Å; C1018-C1021 CarbonylContact O-C 3.54Å; C1018-C1021 PolarHBondContact O-N 3.19Å; C1018-K1022 PolarHBondContact O-N 3.43Å | ||
| 1019 | E | 86.7 | Confident | 89.1 | Confident | 188 Ų | 188 | 73.2 Ų | 73.2 | 88% | 0.879 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -50.1 | -42.1 | 178 | -66.5 | -176.2 | 167.6 | 0 | 0 | 112.8 | C1021 K1022 | E1019-C1021 PolarHBondContact O-N 3Å; E1019-K1022 VanDerWaalsContact O-CB 3.26Å; E1019-K1022 WeakPolarHBondContact O-CB 3.42Å; E1019-K1022 PolarHBondContact O-N 2.79Å |
| 1020 | H | 88.4 | Confident | 89.4 | Confident | 166 Ų | 166 | 75 Ų | 75 | 77% | 0.769 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -64.4 | -37.3 | 178 | -178 | -77.1 | 0 | 0 | 0 | 113.1 | C1018 K1022 | C1018-H1020 PolarHBondContact O-N 2.85Å; C1018-H1020 VanDerWaalsContact O-N 3.14Å; H1020-K1022 VanDerWaalsContact C-N 3.33Å |
| 1021 | C | 91.3 | Very high | 89.7 | Confident | 12 Ų | 12 | 77 Ų | 77 | 8% | 0.081 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -86.6 | -5 | 179 | -73.4 | 0 | 0 | 0 | 0 | 113.1 | C1004 C1007 T1017 C1018 E1019 A1023 N1024 E1025 I1028 | C1004-C1021 VanDerWaalsContact SG-CB 3.53Å; C1007-C1021 VanDerWaalsContact SG-SG 3.67Å; T1017-C1021 HydrophobicContact CG2-CB 4.37Å; C1018-C1021 CarbonylContact O-C 3.54Å; C1018-C1021 PolarHBondContact O-N 3.19Å; E1019-C1021 PolarHBondContact O-N 3Å; C1021-A1023 VanDerWaalsContact C-N 3.27Å; C1021-A1023 PolarHBondContact O-N 3.49Å; C1021-N1024 CarbonylContact O-C 3.45Å; C1021-N1024 PolarHBondContact O-N 3.25Å; C1021-N1024 VanDerWaalsContact O-N 3.09Å; C1021-E1025 PolarHBondContact O-N 3.31Å; C1021-E1025 VanDerWaalsContact O-N 3.15Å; C1021-I1028 HydrophobicContact CB-CD1 3.89Å |
| 1022 | K | 88.8 | Confident | 90 | Very high | 84 Ų | 84 | 77 Ų | 77 | 37% | 0.365 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -60.7 | -37.1 | -177.1 | -164.1 | 68.8 | 177.8 | 169.9 | 0 | 112.1 | C1018 E1019 H1020 N1024 E1025 | C1018-K1022 PolarHBondContact O-N 3.43Å; E1019-K1022 VanDerWaalsContact O-CB 3.26Å; E1019-K1022 WeakPolarHBondContact O-CB 3.42Å; E1019-K1022 PolarHBondContact O-N 2.79Å; H1020-K1022 VanDerWaalsContact C-N 3.33Å; K1022-N1024 VanDerWaalsContact C-N 3.27Å; K1022-N1024 PolarHBondContact O-N 3.02Å; K1022-E1025 WeakPolarHBondContact CD-OE2 3.47Å; K1022-E1025 WeakPolarHBondContact CE-OE2 3.47Å; K1022-E1025 IonicContact NZ-OE1 2.88Å; K1022-E1025 PolarHBondContact NZ-OE1 2.98Å; K1022-E1025 IonicContact NZ-OE2 2.68Å; K1022-E1025 PolarHBondContact NZ-OE2 3.16Å; K1022-E1025 WeakPolarHBondContact O-CB 3.28Å; K1022-E1025 PolarHBondContact O-N 3.34Å; K1022-E1025 VanDerWaalsContact O-N 3.16Å |
| 1023 | A | 89.9 | Confident | 90.6 | Very high | 85 Ų | 85 | 71.9 Ų | 71.9 | 70% | 0.702 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -32.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | C1021 | C1021-A1023 VanDerWaalsContact C-N 3.27Å; C1021-A1023 PolarHBondContact O-N 3.49Å |
| 1024 | N | 91.8 | Very high | 91.2 | Very high | 92 Ų | 92 | 73.7 Ų | 73.7 | 49% | 0.492 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 17.5 | 178.7 | -61.9 | -4.1 | 0 | 0 | 0 | 111.8 | C1021 K1022 S1026 E1027 I1028 | C1021-N1024 CarbonylContact O-C 3.45Å; C1021-N1024 PolarHBondContact O-N 3.25Å; C1021-N1024 VanDerWaalsContact O-N 3.09Å; K1022-N1024 VanDerWaalsContact C-N 3.27Å; K1022-N1024 PolarHBondContact O-N 3.02Å; N1024-S1026 VanDerWaalsContact C-N 3.27Å; N1024-S1026 PolarHBondContact O-N 3.48Å; N1024-E1027 PolarHBondContact O-N 2.95Å; N1024-I1028 VanDerWaalsContact O-CG1 3.3Å; N1024-I1028 WeakPolarHBondContact O-CG1 3.15Å; N1024-I1028 PolarHBondContact O-N 3.42Å |
| 1025 | E | 91.4 | Very high | 91.9 | Very high | 32 Ų | 32 | 70.4 Ų | 70.4 | 15% | 0.15 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.5 | -36.6 | -174.6 | -177.8 | 169.6 | -121.1 | 0 | 0 | 112.3 | T1017 C1021 K1022 I1028 Y1029 F1091 | T1017-E1025 HydrophobicContact CG2-CB 4.16Å; T1017-E1025 HydrophobicContact CG2-CG 3.87Å; T1017-E1025 PolarHBondContact OG1-OE1 3.18Å; C1021-E1025 PolarHBondContact O-N 3.31Å; C1021-E1025 VanDerWaalsContact O-N 3.15Å; K1022-E1025 WeakPolarHBondContact CD-OE2 3.47Å; K1022-E1025 WeakPolarHBondContact CE-OE2 3.47Å; K1022-E1025 IonicContact NZ-OE1 2.88Å; K1022-E1025 PolarHBondContact NZ-OE1 2.98Å; K1022-E1025 IonicContact NZ-OE2 2.68Å; K1022-E1025 PolarHBondContact NZ-OE2 3.16Å; K1022-E1025 WeakPolarHBondContact O-CB 3.28Å; K1022-E1025 PolarHBondContact O-N 3.34Å; K1022-E1025 VanDerWaalsContact O-N 3.16Å; E1025-I1028 PolarHBondContact O-N 3.36Å; E1025-Y1029 VanDerWaalsContact O-CB 3.27Å; E1025-Y1029 WeakPolarHBondContact O-CB 3.27Å; E1025-Y1029 PolarHBondContact O-N 3.47Å; E1025-F1091 HydrophobicContact CG-CD1 3.93Å; E1025-F1091 HydrophobicContact CG-CE1 3.8Å |
| 1026 | S | 91.9 | Very high | 92.4 | Very high | 78 Ų | 78 | 69.9 Ų | 69.9 | 55% | 0.545 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.6 | -43.1 | 176.4 | 55.3 | 0 | 0 | 0 | 0 | 112.6 | N1024 Y1029 Q1030 | N1024-S1026 VanDerWaalsContact C-N 3.27Å; N1024-S1026 PolarHBondContact O-N 3.48Å; S1026-Y1029 PolarHBondContact O-N 3.44Å; S1026-Q1030 WeakPolarHBondContact O-CB 3.37Å; S1026-Q1030 VanDerWaalsContact O-CG 3.26Å; S1026-Q1030 WeakPolarHBondContact O-CG 3.49Å; S1026-Q1030 PolarHBondContact O-N 3.06Å |
| 1027 | E | 93.9 | Very high | 92.8 | Very high | 125 Ų | 125 | 73.1 Ų | 73.1 | 58% | 0.584 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -65 | -44.2 | 176.1 | -173.3 | -169.7 | 167.5 | 0 | 0 | 110.9 | N1024 Q1030 R1031 | N1024-E1027 PolarHBondContact O-N 2.95Å; E1027-Q1030 PolarHBondContact O-N 3.28Å; E1027-R1031 WeakPolarHBondContact O-CB 3.46Å; E1027-R1031 PolarHBondContact O-N 3.15Å |
| 1028 | I | 93.8 | Very high | 93 | Very high | 9 Ų | 9 | 78.6 Ų | 78.6 | 5% | 0.046 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62.9 | -45.3 | 177 | -61.2 | 164.4 | 0 | 0 | 0 | 109.7 | L1005 T1017 C1021 N1024 E1025 R1031 E1032 F1091 | L1005-I1028 HydrophobicContact CB-CG2 3.74Å; T1017-I1028 HydrophobicContact CG2-CD1 3.9Å; C1021-I1028 HydrophobicContact CB-CD1 3.89Å; N1024-I1028 VanDerWaalsContact O-CG1 3.3Å; N1024-I1028 WeakPolarHBondContact O-CG1 3.15Å; N1024-I1028 PolarHBondContact O-N 3.42Å; E1025-I1028 PolarHBondContact O-N 3.36Å; I1028-R1031 WeakPolarHBondContact O-CB 3.34Å; I1028-R1031 PolarHBondContact O-N 3.32Å; I1028-E1032 WeakPolarHBondContact O-CG 3.08Å; I1028-E1032 PolarHBondContact O-N 3.26Å; I1028-F1091 HydrophobicContact CG2-CZ 3.95Å |
| 1029 | Y | 94.2 | Very high | 93.2 | Very high | 89 Ų | 89 | 78 Ų | 78 | 35% | 0.349 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59 | -48.9 | 176.2 | 178.4 | -103 | 0 | 0 | 0 | 111.6 | E1025 S1026 R1031 E1032 I1033 V1088 F1091 | E1025-Y1029 VanDerWaalsContact O-CB 3.27Å; E1025-Y1029 WeakPolarHBondContact O-CB 3.27Å; E1025-Y1029 PolarHBondContact O-N 3.47Å; S1026-Y1029 PolarHBondContact O-N 3.44Å; Y1029-R1031 VanDerWaalsContact C-N 3.29Å; Y1029-R1031 PolarHBondContact O-N 2.83Å; Y1029-E1032 PolarHBondContact O-N 3.16Å; Y1029-I1033 HydrophobicContact CD1-CG1 4.05Å; Y1029-I1033 HydrophobicContact CD2-CG1 4.24Å; Y1029-I1033 HydrophobicContact CE1-CD1 4.3Å; Y1029-I1033 HydrophobicContact CE1-CG1 3.63Å; Y1029-I1033 HydrophobicContact CE2-CD1 4.08Å; Y1029-I1033 HydrophobicContact CE2-CG1 3.85Å; Y1029-I1033 HydrophobicContact CG-CG1 4.34Å; Y1029-I1033 WeakPolarHBondContact O-CB 3.27Å; Y1029-I1033 WeakPolarHBondContact O-CG1 3.41Å; Y1029-I1033 PolarHBondContact O-N 2.77Å; Y1029-V1088 HydrophobicContact CE2-CG1 4.02Å; Y1029-F1091 HydrophobicContact CD2-CB 3.93Å; Y1029-F1091 AromaticContact CD2-CD1 3.84Å; Y1029-F1091 HydrophobicContact CD2-CD1 3.84Å; Y1029-F1091 AromaticContact CD2-CD2 3.65Å; Y1029-F1091 HydrophobicContact CD2-CD2 3.65Å; Y1029-F1091 HydrophobicContact CD2-CE1 4.18Å; Y1029-F1091 AromaticContact CD2-CE2 4Å; Y1029-F1091 HydrophobicContact CD2-CE2 4Å; Y1029-F1091 AromaticContact CD2-CG 3.55Å; Y1029-F1091 HydrophobicContact CD2-CG 3.55Å; Y1029-F1091 HydrophobicContact CD2-CZ 4.24Å; Y1029-F1091 HydrophobicContact CE2-CB 4.16Å; Y1029-F1091 HydrophobicContact CE2-CD2 4.3Å; Y1029-F1091 HydrophobicContact CE2-CG 4.23Å; Y1029-F1091 HydrophobicContact CG-CD1 4.39Å; Y1029-F1091 HydrophobicContact CG-CE1 4.46Å |
| 1030 | Q | 95.1 | Very high | 93.6 | Very high | 122 Ų | 122 | 73 Ų | 73 | 57% | 0.57 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -57.9 | -42 | 176.5 | -75 | 174.9 | 23.9 | 0 | 0 | 111.6 | S1026 E1027 I1033 C1034 | S1026-Q1030 WeakPolarHBondContact O-CB 3.37Å; S1026-Q1030 VanDerWaalsContact O-CG 3.26Å; S1026-Q1030 WeakPolarHBondContact O-CG 3.49Å; S1026-Q1030 PolarHBondContact O-N 3.06Å; E1027-Q1030 PolarHBondContact O-N 3.28Å; Q1030-I1033 PolarHBondContact O-N 3.22Å; Q1030-C1034 WeakPolarHBondContact O-CB 3.39Å; Q1030-C1034 PolarHBondContact O-N 3.39Å; Q1030-C1034 PolarHBondContact O-SG 2.87Å |
| 1031 | R | 95.2 | Very high | 94 | Very high | 120 Ų | 120 | 69.7 Ų | 69.7 | 45% | 0.453 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.7 | -47.9 | 175.2 | -175.7 | -171.9 | 70.3 | -161.5 | 1.7 | 112.1 | L1005 E1027 I1028 Y1029 C1034 Q1035 | L1005-R1031 PolarHBondContact O-NH2 2.99Å; E1027-R1031 WeakPolarHBondContact O-CB 3.46Å; E1027-R1031 PolarHBondContact O-N 3.15Å; I1028-R1031 WeakPolarHBondContact O-CB 3.34Å; I1028-R1031 PolarHBondContact O-N 3.32Å; Y1029-R1031 VanDerWaalsContact C-N 3.29Å; Y1029-R1031 PolarHBondContact O-N 2.83Å; R1031-C1034 PolarHBondContact O-N 2.93Å; R1031-Q1035 PolarHBondContact O-N 2.8Å; R1031-Q1035 VanDerWaalsContact O-N 3.08Å |
| 1032 | E | 94.6 | Very high | 94.1 | Very high | 16 Ų | 16 | 72.6 Ų | 72.6 | 8% | 0.075 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -68.1 | -35.2 | -180 | -59.8 | -49 | 143.4 | 0 | 0 | 112.4 | L1005 I1028 Y1029 Q1035 L1036 Q1084 V1088 F1091 | L1005-E1032 HydrophobicContact CD1-CG 4.23Å; I1028-E1032 WeakPolarHBondContact O-CG 3.08Å; I1028-E1032 PolarHBondContact O-N 3.26Å; Y1029-E1032 PolarHBondContact O-N 3.16Å; E1032-Q1035 PolarHBondContact O-N 3.44Å; E1032-L1036 WeakPolarHBondContact O-CB 3.39Å; E1032-L1036 PolarHBondContact O-N 2.94Å; E1032-Q1084 PolarHBondContact O-NE2 2.8Å; E1032-Q1084 PolarHBondContact OE2-NE2 3.07Å; E1032-V1088 HydrophobicContact CB-CG2 4.16Å; E1032-F1091 HydrophobicContact CB-CE2 4.43Å; E1032-F1091 HydrophobicContact CG-CE2 4.2Å; E1032-F1091 HydrophobicContact CG-CZ 4.43Å |
| 1033 | I | 95.2 | Very high | 94.3 | Very high | 37 Ų | 37 | 70.7 Ų | 70.7 | 19% | 0.19 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -68.3 | -42.8 | 173.3 | -72.6 | -69.8 | 0 | 0 | 0 | 111.7 | Y1029 Q1030 Q1035 L1036 N1037 V1088 | Y1029-I1033 HydrophobicContact CD1-CG1 4.05Å; Y1029-I1033 HydrophobicContact CD2-CG1 4.24Å; Y1029-I1033 HydrophobicContact CE1-CD1 4.3Å; Y1029-I1033 HydrophobicContact CE1-CG1 3.63Å; Y1029-I1033 HydrophobicContact CE2-CD1 4.08Å; Y1029-I1033 HydrophobicContact CE2-CG1 3.85Å; Y1029-I1033 HydrophobicContact CG-CG1 4.34Å; Y1029-I1033 WeakPolarHBondContact O-CB 3.27Å; Y1029-I1033 WeakPolarHBondContact O-CG1 3.41Å; Y1029-I1033 PolarHBondContact O-N 2.77Å; Q1030-I1033 PolarHBondContact O-N 3.22Å; I1033-Q1035 VanDerWaalsContact C-N 3.26Å; I1033-Q1035 PolarHBondContact O-N 3.45Å; I1033-L1036 HydrophobicContact CD1-CD2 4.3Å; I1033-L1036 WeakPolarHBondContact O-CB 3.4Å; I1033-L1036 PolarHBondContact O-N 3.38Å; I1033-L1036 VanDerWaalsContact O-N 3.15Å; I1033-N1037 VanDerWaalsContact O-CG 3.29Å; I1033-N1037 PolarHBondContact O-N 3.11Å; I1033-V1088 HydrophobicContact CD1-CB 4.46Å; I1033-V1088 HydrophobicContact CD1-CG1 3.53Å; I1033-V1088 HydrophobicContact CD1-CG2 4.05Å; I1033-V1088 HydrophobicContact CG1-CG1 4.43Å |
| 1034 | C | 96 | Very high | 94.5 | Very high | 82 Ų | 82 | 68.9 Ų | 68.9 | 55% | 0.554 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -59.7 | -40.3 | 174.9 | -75.8 | 0 | 0 | 0 | 0 | 111.2 | Q1030 R1031 N1037 Y1038 | Q1030-C1034 WeakPolarHBondContact O-CB 3.39Å; Q1030-C1034 PolarHBondContact O-N 3.39Å; Q1030-C1034 PolarHBondContact O-SG 2.87Å; R1031-C1034 PolarHBondContact O-N 2.93Å; C1034-N1037 PolarHBondContact O-N 2.86Å; C1034-Y1038 WeakPolarHBondContact O-CB 3.48Å; C1034-Y1038 PolarHBondContact O-N 2.93Å |
| 1035 | Q | 95.2 | Very high | 94.6 | Very high | 85 Ų | 85 | 73.5 Ų | 73.5 | 40% | 0.397 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67 | -39.3 | 174.8 | -174.9 | 61.1 | 26 | 0 | 0 | 112.1 | R1031 E1032 I1033 Y1038 L1039 Q1084 | R1031-Q1035 PolarHBondContact O-N 2.8Å; R1031-Q1035 VanDerWaalsContact O-N 3.08Å; E1032-Q1035 PolarHBondContact O-N 3.44Å; I1033-Q1035 VanDerWaalsContact C-N 3.26Å; I1033-Q1035 PolarHBondContact O-N 3.45Å; Q1035-Y1038 PolarHBondContact O-N 3.4Å; Q1035-L1039 HydrophobicContact CG-CD1 4.45Å; Q1035-L1039 WeakPolarHBondContact O-CG 3.36Å; Q1035-L1039 PolarHBondContact O-N 3.07Å; Q1035-Q1084 HydrophobicContact CG-CG 4.29Å |
| 1036 | L | 95.9 | Very high | 94.6 | Very high | 4 Ų | 4 | 72.9 Ų | 72.9 | 2% | 0.021 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -58.7 | -53.4 | 172.7 | -175.8 | 76.5 | 0 | 0 | 0 | 110.6 | E1032 I1033 Y1038 L1039 E1040 L1081 Q1084 W1085 V1088 | E1032-L1036 WeakPolarHBondContact O-CB 3.39Å; E1032-L1036 PolarHBondContact O-N 2.94Å; I1033-L1036 HydrophobicContact CD1-CD2 4.3Å; I1033-L1036 WeakPolarHBondContact O-CB 3.4Å; I1033-L1036 PolarHBondContact O-N 3.38Å; I1033-L1036 VanDerWaalsContact O-N 3.15Å; L1036-Y1038 VanDerWaalsContact C-N 3.26Å; L1036-Y1038 PolarHBondContact O-N 3.22Å; L1036-L1039 CarbonylContact O-C 3.56Å; L1036-L1039 PolarHBondContact O-N 3.02Å; L1036-E1040 HydrophobicContact CG-CG 4.44Å; L1036-E1040 WeakPolarHBondContact O-CG 3.22Å; L1036-E1040 PolarHBondContact O-N 2.93Å; L1036-L1081 HydrophobicContact CD1-CD1 3.63Å; L1036-L1081 HydrophobicContact CG-CD1 4.37Å; L1036-Q1084 HydrophobicContact CB-CG 3.99Å; L1036-Q1084 HydrophobicContact CD1-CB 4.11Å; L1036-Q1084 HydrophobicContact CD1-CG 4.01Å; L1036-W1085 HydrophobicContact CD1-CB 4.05Å; L1036-W1085 HydrophobicContact CD1-CE3 4.22Å; L1036-W1085 HydrophobicContact CD2-CE3 3.69Å; L1036-W1085 HydrophobicContact CD2-CZ3 4Å; L1036-V1088 HydrophobicContact CB-CG2 4.45Å; L1036-V1088 HydrophobicContact CD2-CG2 4.34Å |
| 1037 | N | 96.5 | Very high | 94.6 | Very high | 70 Ų | 70 | 72.1 Ų | 72.1 | 37% | 0.374 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -57.3 | -38.5 | 178.4 | -68.7 | -11 | 0 | 0 | 0 | 111.9 | I1033 C1034 N1041 | I1033-N1037 VanDerWaalsContact O-CG 3.29Å; I1033-N1037 PolarHBondContact O-N 3.11Å; C1034-N1037 PolarHBondContact O-N 2.86Å; N1037-N1041 WeakPolarHBondContact O-CB 3.46Å; N1037-N1041 PolarHBondContact O-N 2.8Å; N1037-N1041 PolarHBondContact O-ND2 2.95Å |
| 1038 | Y | 95.9 | Very high | 94.5 | Very high | 134 Ų | 134 | 68.7 Ų | 68.7 | 53% | 0.525 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.2 | -45.9 | 174.3 | 169.7 | -96 | 0 | 0 | 0 | 111.9 | C1034 Q1035 L1036 N1041 K1042 | C1034-Y1038 WeakPolarHBondContact O-CB 3.48Å; C1034-Y1038 PolarHBondContact O-N 2.93Å; Q1035-Y1038 PolarHBondContact O-N 3.4Å; L1036-Y1038 VanDerWaalsContact C-N 3.26Å; L1036-Y1038 PolarHBondContact O-N 3.22Å; Y1038-N1041 PolarHBondContact O-N 3.34Å; Y1038-K1042 HydrophobicContact CE1-CD 4.4Å; Y1038-K1042 WeakPolarHBondContact O-CB 3.26Å; Y1038-K1042 PolarHBondContact O-N 2.91Å |
| 1039 | L | 95 | Very high | 94.2 | Very high | 9 Ų | 9 | 72.8 Ų | 72.8 | 5% | 0.047 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67.9 | -38.1 | 178.5 | -70.6 | 171.1 | 0 | 0 | 0 | 112.3 | Q1035 L1036 K1042 F1043 D1080 L1081 Q1084 | Q1035-L1039 HydrophobicContact CG-CD1 4.45Å; Q1035-L1039 WeakPolarHBondContact O-CG 3.36Å; Q1035-L1039 PolarHBondContact O-N 3.07Å; L1036-L1039 CarbonylContact O-C 3.56Å; L1036-L1039 PolarHBondContact O-N 3.02Å; L1039-K1042 PolarHBondContact O-N 3.03Å; L1039-F1043 WeakPolarHBondContact O-CB 3.26Å; L1039-F1043 PolarHBondContact O-N 3.08Å; L1039-D1080 HydrophobicContact CD1-CB 4.14Å; L1039-D1080 HydrophobicContact CD2-CB 3.94Å; L1039-L1081 HydrophobicContact CB-CB 4.39Å; L1039-L1081 HydrophobicContact CB-CD1 4.07Å; L1039-Q1084 HydrophobicContact CD1-CB 3.68Å; L1039-Q1084 HydrophobicContact CD1-CG 4.03Å |
| 1040 | E | 96.2 | Very high | 94 | Very high | 81 Ų | 81 | 69.3 Ų | 69.3 | 38% | 0.379 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.9 | -49.8 | 173.4 | -72.6 | -178.5 | 157.8 | 0 | 0 | 111 | L1036 K1042 F1043 A1044 L1081 | L1036-E1040 HydrophobicContact CG-CG 4.44Å; L1036-E1040 WeakPolarHBondContact O-CG 3.22Å; L1036-E1040 PolarHBondContact O-N 2.93Å; E1040-K1042 VanDerWaalsContact C-N 3.3Å; E1040-K1042 PolarHBondContact O-N 2.81Å; E1040-F1043 PolarHBondContact O-N 3.26Å; E1040-A1044 VanDerWaalsContact O-CB 3.3Å; E1040-A1044 WeakPolarHBondContact O-CB 3.34Å; E1040-A1044 PolarHBondContact O-N 2.86Å; E1040-L1081 HydrophobicContact CB-CD1 4.34Å; E1040-L1081 HydrophobicContact CG-CD1 3.33Å; E1040-L1081 HydrophobicContact CG-CD2 4.19Å; E1040-L1081 HydrophobicContact CG-CG 4.4Å |
| 1041 | N | 96 | Very high | 93.7 | Very high | 97 Ų | 97 | 64.5 Ų | 64.5 | 52% | 0.519 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.3 | -40.5 | 176.3 | -81.5 | -61.5 | 0 | 0 | 0 | 112 | N1037 Y1038 R1045 | N1037-N1041 WeakPolarHBondContact O-CB 3.46Å; N1037-N1041 PolarHBondContact O-N 2.8Å; N1037-N1041 PolarHBondContact O-ND2 2.95Å; Y1038-N1041 PolarHBondContact O-N 3.34Å; N1041-R1045 WeakPolarHBondContact O-CB 3.38Å; N1041-R1045 VanDerWaalsContact O-CG 3.28Å; N1041-R1045 WeakPolarHBondContact O-CG 3.31Å; N1041-R1045 PolarHBondContact O-N 2.94Å |
| 1042 | K | 93.3 | Very high | 93.3 | Very high | 74 Ų | 74 | 66.6 Ų | 66.6 | 32% | 0.322 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.9 | -47 | 176.1 | -176.8 | 180 | 178.8 | -177 | 0 | 111.3 | Y1038 L1039 E1040 R1045 L1046 | Y1038-K1042 HydrophobicContact CE1-CD 4.4Å; Y1038-K1042 WeakPolarHBondContact O-CB 3.26Å; Y1038-K1042 PolarHBondContact O-N 2.91Å; L1039-K1042 PolarHBondContact O-N 3.03Å; E1040-K1042 VanDerWaalsContact C-N 3.3Å; E1040-K1042 PolarHBondContact O-N 2.81Å; K1042-R1045 PolarHBondContact O-N 2.77Å; K1042-L1046 HydrophobicContact CG-CD1 4.15Å; K1042-L1046 WeakPolarHBondContact O-CD1 3.17Å; K1042-L1046 WeakPolarHBondContact O-CG 3.47Å; K1042-L1046 PolarHBondContact O-N 3.46Å; K1042-L1046 VanDerWaalsContact O-N 3.11Å |
| 1043 | F | 94.6 | Very high | 92.7 | Very high | 43 Ų | 43 | 67.6 Ų | 67.6 | 19% | 0.189 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.6 | -46.9 | 177.5 | 178.4 | -101.8 | 0 | 0 | 0 | 111.2 | L1039 E1040 R1045 L1046 W1047 R1074 A1077 K1078 L1081 | L1039-F1043 WeakPolarHBondContact O-CB 3.26Å; L1039-F1043 PolarHBondContact O-N 3.08Å; E1040-F1043 PolarHBondContact O-N 3.26Å; F1043-R1045 PolarHBondContact O-N 3.02Å; F1043-L1046 PolarHBondContact O-N 3.34Å; F1043-L1046 VanDerWaalsContact O-N 3.17Å; F1043-W1047 HydrophobicContact CE1-CE3 4.16Å; F1043-W1047 HydrophobicContact CE2-CE3 4.37Å; F1043-W1047 HydrophobicContact CZ-CD2 4.45Å; F1043-W1047 AromaticContact CZ-CE3 3.63Å; F1043-W1047 HydrophobicContact CZ-CE3 3.63Å; F1043-W1047 HydrophobicContact CZ-CZ3 4.14Å; F1043-W1047 WeakPolarHBondContact O-CB 3.26Å; F1043-W1047 PolarHBondContact O-N 2.72Å; F1043-R1074 HydrophobicContact CD2-CG 4.26Å; F1043-R1074 HydrophobicContact CE2-CG 3.8Å; F1043-A1077 HydrophobicContact CB-CB 4.25Å; F1043-A1077 HydrophobicContact CD2-CB 4.27Å; F1043-K1078 HydrophobicContact CD2-CB 4.07Å; F1043-K1078 HydrophobicContact CE2-CB 3.73Å; F1043-K1078 HydrophobicContact CE2-CG 4.21Å; F1043-L1081 HydrophobicContact CB-CD2 4.33Å; F1043-L1081 HydrophobicContact CD1-CD2 4.37Å; F1043-L1081 HydrophobicContact CG-CD2 4.38Å |
| 1044 | A | 93.3 | Very high | 92 | Very high | 47 Ų | 47 | 66.6 Ų | 66.6 | 39% | 0.388 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59 | -43.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E1040 L1046 W1047 V1048 | E1040-A1044 VanDerWaalsContact O-CB 3.3Å; E1040-A1044 WeakPolarHBondContact O-CB 3.34Å; E1040-A1044 PolarHBondContact O-N 2.86Å; A1044-L1046 PolarHBondContact O-N 3.2Å; A1044-W1047 WeakPolarHBondContact O-CB 3.47Å; A1044-W1047 PolarHBondContact O-N 3.24Å; A1044-V1048 VanDerWaalsContact O-CG2 3.31Å; A1044-V1048 WeakPolarHBondContact O-CG2 3.23Å; A1044-V1048 PolarHBondContact O-N 2.81Å |
| 1045 | R | 93.3 | Very high | 91 | Very high | 190 Ų | 190 | 63.9 Ų | 63.9 | 72% | 0.717 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -61.3 | -44.4 | 174.9 | -75.4 | 176.5 | -177.2 | -168.5 | 1.5 | 112.2 | N1041 K1042 F1043 W1047 Q1049 | N1041-R1045 WeakPolarHBondContact O-CB 3.38Å; N1041-R1045 VanDerWaalsContact O-CG 3.28Å; N1041-R1045 WeakPolarHBondContact O-CG 3.31Å; N1041-R1045 PolarHBondContact O-N 2.94Å; K1042-R1045 PolarHBondContact O-N 2.77Å; F1043-R1045 PolarHBondContact O-N 3.02Å; R1045-W1047 VanDerWaalsContact C-N 3.33Å; R1045-Q1049 WeakPolarHBondContact O-CG 3.34Å; R1045-Q1049 PolarHBondContact O-N 3.4Å; R1045-Q1049 VanDerWaalsContact O-N 3.16Å |
| 1046 | L | 92.7 | Very high | 90.2 | Very high | 18 Ų | 18 | 60.7 Ų | 60.7 | 9% | 0.094 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.7 | -37.8 | 177.4 | -67.9 | 163.9 | 0 | 0 | 0 | 111.4 | K1042 F1043 A1044 Q1049 C1050 I1070 M1073 R1074 A1077 | K1042-L1046 HydrophobicContact CG-CD1 4.15Å; K1042-L1046 WeakPolarHBondContact O-CD1 3.17Å; K1042-L1046 WeakPolarHBondContact O-CG 3.47Å; K1042-L1046 PolarHBondContact O-N 3.46Å; K1042-L1046 VanDerWaalsContact O-N 3.11Å; F1043-L1046 PolarHBondContact O-N 3.34Å; F1043-L1046 VanDerWaalsContact O-N 3.17Å; A1044-L1046 PolarHBondContact O-N 3.2Å; L1046-Q1049 PolarHBondContact O-N 3.32Å; L1046-C1050 PolarHBondContact O-N 3.36Å; L1046-C1050 VanDerWaalsContact O-N 3.16Å; L1046-C1050 PolarHBondContact O-SG 3.19Å; L1046-C1050 VanDerWaalsContact O-SG 3.38Å; L1046-I1070 HydrophobicContact CB-CG2 4.49Å; L1046-I1070 HydrophobicContact CD2-CD1 3.94Å; L1046-I1070 HydrophobicContact CD2-CG2 3.98Å; L1046-M1073 HydrophobicContact CD1-CB 3.96Å; L1046-M1073 HydrophobicContact CD2-CB 3.89Å; L1046-M1073 HydrophobicContact CD2-SD 4.48Å; L1046-R1074 HydrophobicContact CB-CB 4.17Å; L1046-R1074 HydrophobicContact CB-CG 4.49Å; L1046-A1077 HydrophobicContact CD1-CB 3.93Å |
| 1047 | W | 91.5 | Very high | 89.5 | Confident | 63 Ų | 63 | 65.6 Ų | 65.6 | 24% | 0.239 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.9 | -48.7 | 175.6 | -172.9 | -91.8 | 0 | 0 | 0 | 111.7 | F1043 A1044 R1045 Q1049 C1050 Q1051 E1060 V1061 | F1043-W1047 HydrophobicContact CE1-CE3 4.16Å; F1043-W1047 HydrophobicContact CE2-CE3 4.37Å; F1043-W1047 HydrophobicContact CZ-CD2 4.45Å; F1043-W1047 AromaticContact CZ-CE3 3.63Å; F1043-W1047 HydrophobicContact CZ-CE3 3.63Å; F1043-W1047 HydrophobicContact CZ-CZ3 4.14Å; F1043-W1047 WeakPolarHBondContact O-CB 3.26Å; F1043-W1047 PolarHBondContact O-N 2.72Å; A1044-W1047 WeakPolarHBondContact O-CB 3.47Å; A1044-W1047 PolarHBondContact O-N 3.24Å; R1045-W1047 VanDerWaalsContact C-N 3.33Å; W1047-Q1049 VanDerWaalsContact C-N 3.28Å; W1047-Q1049 PolarHBondContact O-N 3.04Å; W1047-C1050 CarbonylContact O-C 3.5Å; W1047-C1050 WeakPolarHBondContact O-CA 3.24Å; W1047-C1050 WeakPolarHBondContact O-CB 3.29Å; W1047-C1050 PolarHBondContact O-N 2.94Å; W1047-Q1051 VanDerWaalsContact CD1-OE1 3.3Å; W1047-Q1051 VanDerWaalsContact NE1-CD 3.28Å; W1047-Q1051 VanDerWaalsContact NE1-NE2 3.17Å; W1047-Q1051 PolarHBondContact O-N 3.05Å; W1047-E1060 HydrophobicContact CH2-CG 4.4Å; W1047-V1061 HydrophobicContact CD2-CG2 4.11Å; W1047-V1061 HydrophobicContact CE3-CG2 4.46Å; W1047-V1061 HydrophobicContact CH2-CB 3.76Å; W1047-V1061 HydrophobicContact CH2-CG2 3.98Å; W1047-V1061 HydrophobicContact CZ2-CB 3.89Å; W1047-V1061 HydrophobicContact CZ2-CG2 3.58Å; W1047-V1061 HydrophobicContact CZ3-CB 4.1Å; W1047-V1061 HydrophobicContact CZ3-CG2 4.4Å |
| 1048 | V | 90.8 | Very high | 88.6 | Confident | 52 Ų | 52 | 69.3 Ų | 69.3 | 32% | 0.315 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60 | -37.3 | 176.6 | 170.1 | 0 | 0 | 0 | 0 | 111.8 | A1044 C1050 Q1051 R1052 | A1044-V1048 VanDerWaalsContact O-CG2 3.31Å; A1044-V1048 WeakPolarHBondContact O-CG2 3.23Å; A1044-V1048 PolarHBondContact O-N 2.81Å; V1048-C1050 VanDerWaalsContact C-N 3.32Å; V1048-C1050 PolarHBondContact O-N 2.87Å; V1048-Q1051 PolarHBondContact O-N 3.48Å; V1048-R1052 WeakPolarHBondContact O-CG 3.19Å; V1048-R1052 PolarHBondContact O-N 3.03Å |
| 1049 | Q | 89 | Confident | 87.8 | Confident | 96 Ų | 96 | 65.4 Ų | 65.4 | 45% | 0.449 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.1 | -39.4 | 173.8 | -67.2 | -61.7 | -23.6 | 0 | 0 | 111.9 | R1045 L1046 W1047 C1053 I1070 | R1045-Q1049 WeakPolarHBondContact O-CG 3.34Å; R1045-Q1049 PolarHBondContact O-N 3.4Å; R1045-Q1049 VanDerWaalsContact O-N 3.16Å; L1046-Q1049 PolarHBondContact O-N 3.32Å; W1047-Q1049 VanDerWaalsContact C-N 3.28Å; W1047-Q1049 PolarHBondContact O-N 3.04Å; Q1049-C1053 PolarHBondContact O-N 3.25Å; Q1049-C1053 VanDerWaalsContact O-N 3.16Å; Q1049-I1070 HydrophobicContact CB-CG2 4.41Å |
| 1050 | C | 89.8 | Confident | 87.3 | Confident | 15 Ų | 15 | 71.8 Ų | 71.8 | 10% | 0.101 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -70 | -37.9 | 175 | -59.7 | 0 | 0 | 0 | 0 | 112.6 | L1046 W1047 V1048 R1052 C1053 Q1054 V1061 | L1046-C1050 PolarHBondContact O-N 3.36Å; L1046-C1050 VanDerWaalsContact O-N 3.16Å; L1046-C1050 PolarHBondContact O-SG 3.19Å; L1046-C1050 VanDerWaalsContact O-SG 3.38Å; W1047-C1050 CarbonylContact O-C 3.5Å; W1047-C1050 WeakPolarHBondContact O-CA 3.24Å; W1047-C1050 WeakPolarHBondContact O-CB 3.29Å; W1047-C1050 PolarHBondContact O-N 2.94Å; V1048-C1050 VanDerWaalsContact C-N 3.32Å; V1048-C1050 PolarHBondContact O-N 2.87Å; C1050-R1052 VanDerWaalsContact C-N 3.32Å; C1050-R1052 PolarHBondContact O-N 2.66Å; C1050-C1053 WeakPolarHBondContact O-CB 3.5Å; C1050-C1053 PolarHBondContact O-N 3.4Å; C1050-C1053 VanDerWaalsContact O-N 3.16Å; C1050-Q1054 WeakPolarHBondContact O-CB 3.47Å; C1050-Q1054 PolarHBondContact O-N 3.24Å; C1050-V1061 HydrophobicContact CB-CB 4.48Å; C1050-V1061 HydrophobicContact CB-CG1 3.56Å; C1050-V1061 HydrophobicContact CB-CG2 4.25Å |
| 1051 | Q | 89 | Confident | 86.8 | Confident | 22 Ų | 22 | 68.3 Ų | 68.3 | 10% | 0.103 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.6 | -40.9 | 174.3 | -74 | -179.3 | -52.2 | 0 | 0 | 111.8 | W1047 V1048 C1053 Q1054 G1055 S1056 L1057 V1061 | W1047-Q1051 VanDerWaalsContact CD1-OE1 3.3Å; W1047-Q1051 VanDerWaalsContact NE1-CD 3.28Å; W1047-Q1051 VanDerWaalsContact NE1-NE2 3.17Å; W1047-Q1051 PolarHBondContact O-N 3.05Å; V1048-Q1051 PolarHBondContact O-N 3.48Å; Q1051-C1053 VanDerWaalsContact C-N 3.34Å; Q1051-C1053 PolarHBondContact O-N 2.84Å; Q1051-Q1054 PolarHBondContact O-N 2.83Å; Q1051-G1055 PolarHBondContact O-N 2.93Å; Q1051-S1056 VanDerWaalsContact CB-O 3.3Å; Q1051-S1056 WeakPolarHBondContact CB-O 3.32Å; Q1051-S1056 PolarHBondContact O-N 3.35Å; Q1051-L1057 HydrophobicContact CB-CD2 4.17Å; Q1051-L1057 PolarHBondContact NE2-O 2.75Å; Q1051-V1061 HydrophobicContact CG-CG2 3.64Å |
| 1052 | R | 84.8 | Confident | 86.2 | Confident | 163 Ų | 163 | 64.9 Ų | 64.9 | 62% | 0.615 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -61.8 | -40.5 | 172.9 | -72 | 173.8 | -178.1 | -172.2 | -2.7 | 112.7 | V1048 C1050 Q1054 G1055 | V1048-R1052 WeakPolarHBondContact O-CG 3.19Å; V1048-R1052 PolarHBondContact O-N 3.03Å; C1050-R1052 VanDerWaalsContact C-N 3.32Å; C1050-R1052 PolarHBondContact O-N 2.66Å; R1052-Q1054 VanDerWaalsContact C-N 3.34Å; R1052-G1055 PolarHBondContact O-N 3.47Å |
| 1053 | C | 82.7 | Confident | 85.9 | Confident | 37 Ų | 37 | 62.2 Ų | 62.2 | 25% | 0.25 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.4 | -35.6 | 176.2 | -178 | 0 | 0 | 0 | 0 | 112.4 | Q480 Q1049 C1050 Q1051 G1055 | Q480-C1053 WeakPolarHBondContact CB-SG 3.46Å; Q1049-C1053 PolarHBondContact O-N 3.25Å; Q1049-C1053 VanDerWaalsContact O-N 3.16Å; C1050-C1053 WeakPolarHBondContact O-CB 3.5Å; C1050-C1053 PolarHBondContact O-N 3.4Å; C1050-C1053 VanDerWaalsContact O-N 3.16Å; Q1051-C1053 VanDerWaalsContact C-N 3.34Å; Q1051-C1053 PolarHBondContact O-N 2.84Å; C1053-G1055 VanDerWaalsContact C-N 3.34Å |
| 1054 | Q | 80.8 | Confident | 85.3 | Confident | 17 Ų | 17 | 61.8 Ų | 61.8 | 8% | 0.079 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -72.7 | -29.3 | 174.9 | 177.7 | 179.6 | -14.5 | 0 | 0 | 111.9 | C1050 Q1051 R1052 E1059 E1060 | C1050-Q1054 WeakPolarHBondContact O-CB 3.47Å; C1050-Q1054 PolarHBondContact O-N 3.24Å; Q1051-Q1054 PolarHBondContact O-N 2.83Å; R1052-Q1054 VanDerWaalsContact C-N 3.34Å; Q1054-E1059 PolarHBondContact NE2-OE2 3.44Å; Q1054-E1060 PolarHBondContact NE2-O 3.13Å |
| 1055 | G | 75.2 | Confident | 84.8 | Confident | 25 Ų | 25 | 59.7 Ų | 59.7 | 26% | 0.258 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.5 | 10.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | T35 Q1051 R1052 C1053 | T35-G1055 WeakPolarHBondContact CG2-O 3.44Å; Q1051-G1055 PolarHBondContact O-N 2.93Å; R1052-G1055 PolarHBondContact O-N 3.47Å; C1053-G1055 VanDerWaalsContact C-N 3.34Å |
| 1056 | S | 78.9 | Confident | 84.1 | Confident | 17 Ų | 17 | 54.3 Ų | 54.3 | 12% | 0.119 | 27% | 0.267 | C | S | . | . | trans | -135.3 | 136.4 | 179.4 | 178.7 | 0 | 0 | 0 | 0 | 111.9 | Q1051 H1058 E1059 | Q1051-S1056 VanDerWaalsContact CB-O 3.3Å; Q1051-S1056 WeakPolarHBondContact CB-O 3.32Å; Q1051-S1056 PolarHBondContact O-N 3.35Å; S1056-H1058 PolarHBondContact OG-N 2.88Å; S1056-E1059 WeakPolarHBondContact OG-CG 3.34Å; S1056-E1059 PolarHBondContact OG-N 3.14Å | ||
| 1057 | L | 79.9 | Confident | 83.5 | Confident | 108 Ų | 108 | 56.8 Ų | 56.8 | 57% | 0.565 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -92.2 | -19.9 | 173.6 | -66.4 | 175.9 | 0 | 0 | 0 | 112.9 | Q1051 | Q1051-L1057 HydrophobicContact CB-CD2 4.17Å; Q1051-L1057 PolarHBondContact NE2-O 2.75Å |
| 1058 | H | 78.6 | Confident | 83.3 | Confident | 147 Ų | 147 | 54.2 Ų | 54.2 | 68% | 0.681 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -99 | -25.7 | -170.7 | -59 | -72.1 | 0 | 0 | 0 | 112.8 | S1056 | S1056-H1058 PolarHBondContact OG-N 2.88Š|
| 1059 | E | 78.7 | Confident | 83.1 | Confident | 53 Ų | 53 | 54.1 Ų | 54.1 | 25% | 0.248 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -82.7 | 152.2 | 179.5 | -70.3 | -173.2 | 155.6 | 0 | 0 | 113.3 | R502 Q1054 S1056 | R502-E1059 IonicContact CZ-OE2 2.82Å; R502-E1059 VanDerWaalsContact CZ-OE2 3.3Å; R502-E1059 IonicContact NE-OE2 3.32Å; R502-E1059 PolarHBondContact NE-OE2 3.26Å; R502-E1059 IonicContact NH1-OE2 2.73Å; R502-E1059 IonicContact NH2-OE2 2.67Å; Q1054-E1059 PolarHBondContact NE2-OE2 3.44Å; S1056-E1059 WeakPolarHBondContact OG-CG 3.34Å; S1056-E1059 PolarHBondContact OG-N 3.14Å |
| 1060 | E | 83.9 | Confident | 83.1 | Confident | 142 Ų | 142 | 51.6 Ų | 51.6 | 66% | 0.664 | 26% | 0.261 | S | S | * | . | trans | -66.9 | 137 | 171.5 | -176.1 | 175.9 | -166.9 | 0 | 0 | 110.8 | R502 W1047 Q1054 I1062 | R502-E1060 PolarHBondContact NH1-O 2.86Å; R502-E1060 PolarHBondContact NH2-O 3.12Å; W1047-E1060 HydrophobicContact CH2-CG 4.4Å; Q1054-E1060 PolarHBondContact NE2-O 3.13Å; E1060-I1062 HydrophobicContact CG-CG2 4.38Å; E1060-I1062 PolarHBondContact O-N 3.29Å | ||
| 1061 | V | 86 | Confident | 83.1 | Confident | 8 Ų | 8 | 52 Ų | 52 | 5% | 0.048 | 26% | 0.261 | C | S | . | . | trans | -82.1 | 101.6 | 176.3 | -171.4 | 0 | 0 | 0 | 0 | 111.1 | W1047 C1050 Q1051 C1063 | W1047-V1061 HydrophobicContact CD2-CG2 4.11Å; W1047-V1061 HydrophobicContact CE3-CG2 4.46Å; W1047-V1061 HydrophobicContact CH2-CB 3.76Å; W1047-V1061 HydrophobicContact CH2-CG2 3.98Å; W1047-V1061 HydrophobicContact CZ2-CB 3.89Å; W1047-V1061 HydrophobicContact CZ2-CG2 3.58Å; W1047-V1061 HydrophobicContact CZ3-CB 4.1Å; W1047-V1061 HydrophobicContact CZ3-CG2 4.4Å; C1050-V1061 HydrophobicContact CB-CB 4.48Å; C1050-V1061 HydrophobicContact CB-CG1 3.56Å; C1050-V1061 HydrophobicContact CB-CG2 4.25Å; Q1051-V1061 HydrophobicContact CG-CG2 3.64Å; V1061-C1063 HydrophobicContact CG1-CB 4.15Å | ||
| 1062 | I | 83.9 | Confident | 83.1 | Confident | 26 Ų | 26 | 51.1 Ų | 51.1 | 13% | 0.133 | 26% | 0.257 | C | S | . | . | trans | -94.9 | -0.2 | -178.3 | 66 | -178.7 | 0 | 0 | 0 | 113.8 | E482 V484 I488 L492 E1060 T1064 | E482-I1062 VanDerWaalsContact OE1-CG1 3.28Å; E482-I1062 WeakPolarHBondContact OE1-CG1 3.46Å; V484-I1062 HydrophobicContact CG1-CD1 4.11Å; V484-I1062 HydrophobicContact CG2-CD1 4.14Å; V484-I1062 HydrophobicContact CG2-CG1 4.49Å; I488-I1062 HydrophobicContact CD1-CB 4.02Å; I488-I1062 HydrophobicContact CD1-CD1 4.09Å; I488-I1062 HydrophobicContact CD1-CG2 3.74Å; I488-I1062 HydrophobicContact CG2-CD1 4.09Å; L492-I1062 HydrophobicContact CD1-CD1 4.14Å; E1060-I1062 HydrophobicContact CG-CG2 4.38Å; E1060-I1062 PolarHBondContact O-N 3.29Å; I1062-T1064 PolarHBondContact O-N 3.08Å | ||
| 1063 | C | 86 | Confident | 83.4 | Confident | 18 Ų | 18 | 46.1 Ų | 46.1 | 12% | 0.122 | 24% | 0.241 | C | C | . | . | trans | -52.5 | 133.5 | -177.3 | -178.4 | 0 | 0 | 0 | 0 | 114.3 | E482 D483 V1061 R1074 | E482-C1063 HydrophobicContact CG-CB 4.13Å; D483-C1063 CarbonylContact O-C 3.43Å; D483-C1063 WeakPolarHBondContact O-CA 3.26Å; V1061-C1063 HydrophobicContact CG1-CB 4.15Å; C1063-R1074 PolarHBondContact O-NH2 3.32Å | ||
| 1064 | T | 82.6 | Confident | 83.8 | Confident | 33 Ų | 33 | 45.3 Ų | 45.3 | 20% | 0.202 | 23% | 0.233 | C | C | . | . | trans | -121 | 19.8 | 179.7 | 61.5 | 0 | 0 | 0 | 0 | 115 | D483 H485 I1062 R1066 | D483-T1064 PolarHBondContact O-N 2.87Å; D483-T1064 PolarHBondContact O-OG1 3.38Å; H485-T1064 HydrophobicContact CB-CG2 3.7Å; H485-T1064 WeakPolarHBondContact CB-OG1 3.41Å; I1062-T1064 PolarHBondContact O-N 3.08Å; T1064-R1066 WeakPolarHBondContact O-CG 3.13Å; T1064-R1066 PolarHBondContact O-N 3.33Å | ||
| 1065 | S | 82.3 | Confident | 84.2 | Confident | 3 Ų | 3 | 45.9 Ų | 45.9 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | trans | -56.6 | 100.6 | -175.1 | -177.4 | 0 | 0 | 0 | 0 | 113.2 | N470 D483 D1067 C1068 F1071 | N470-S1065 PolarHBondContact ND2-OG 2.85Å; D483-S1065 VanDerWaalsContact OD2-CA 3.27Å; D483-S1065 WeakPolarHBondContact OD2-CA 3.3Å; D483-S1065 PolarHBondContact OD2-N 3.26Å; S1065-D1067 PolarHBondContact O-N 3.17Å; S1065-C1068 WeakPolarHBondContact O-CB 3.45Å; S1065-C1068 PolarHBondContact O-N 2.9Å; S1065-C1068 VanDerWaalsContact O-N 3.07Å; S1065-F1071 WeakPolarHBondContact O-CB 3.03Å | ||
| 1066 | R | 80.1 | Confident | 84.9 | Confident | 78 Ų | 78 | 47 Ų | 47 | 29% | 0.294 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -13 | -178.5 | -53.3 | -166.2 | -178.6 | 172.2 | 2.4 | 113.6 | I936 T1064 Y1072 | I936-R1066 HydrophobicContact CD1-CG 3.89Å; T1064-R1066 WeakPolarHBondContact O-CG 3.13Å; T1064-R1066 PolarHBondContact O-N 3.33Å; R1066-Y1072 WeakPolarHBondContact O-CE2 3.46Å; R1066-Y1072 PolarHBondContact O-OH 3.22Å |
| 1067 | D | 80.1 | Confident | 85.5 | Confident | 69 Ų | 69 | 46.2 Ų | 46.2 | 37% | 0.369 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -9 | 175.2 | -70.7 | -49.2 | 0 | 0 | 0 | 112.5 | S466 T468 A471 S1065 P1069 | S466-D1067 WeakPolarHBondContact CB-OD1 3.48Å; S466-D1067 WeakPolarHBondContact CB-OD2 3.37Å; S466-D1067 VanDerWaalsContact OG-CG 3.28Å; S466-D1067 PolarHBondContact OG-OD1 3Å; S466-D1067 PolarHBondContact OG-OD2 2.65Å; T468-D1067 VanDerWaalsContact CG2-OD2 3.26Å; T468-D1067 WeakPolarHBondContact CG2-OD2 3.39Å; T468-D1067 PolarHBondContact OG1-OD2 2.81Å; A471-D1067 HydrophobicContact CB-CB 4.14Å; S1065-D1067 PolarHBondContact O-N 3.17Å; D1067-P1069 WeakPolarHBondContact O-CD 3.35Å |
| 1068 | C | 86.2 | Confident | 86 | Confident | 10 Ų | 10 | 47.7 Ų | 47.7 | 7% | 0.068 | 23% | 0.232 | C | C | . | . | trans | -89.3 | 120.2 | -176.9 | -175.2 | 0 | 0 | 0 | 0 | 111.9 | S1065 I1070 F1071 Y1072 | S1065-C1068 WeakPolarHBondContact O-CB 3.45Å; S1065-C1068 PolarHBondContact O-N 2.9Å; S1065-C1068 VanDerWaalsContact O-N 3.07Å; C1068-I1070 PolarHBondContact O-N 2.75Å; C1068-F1071 HydrophobicContact CB-CB 4.04Å; C1068-F1071 WeakPolarHBondContact O-CB 3.39Å; C1068-F1071 PolarHBondContact O-N 3.33Å; C1068-F1071 VanDerWaalsContact O-N 3.15Å; C1068-Y1072 WeakPolarHBondContact O-CD2 3.28Å | ||
| 1069 | P | 86 | Confident | 86.5 | Confident | 50 Ų | 50 | 42.4 Ų | 42.4 | 33% | 0.325 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.7 | -33.9 | 174.5 | -24.8 | 35.4 | 0 | 0 | 0 | 113 | D1067 F1071 Y1072 M1073 | D1067-P1069 WeakPolarHBondContact O-CD 3.35Å; P1069-F1071 VanDerWaalsContact C-N 3.27Å; P1069-F1071 PolarHBondContact O-N 2.83Å; P1069-Y1072 PolarHBondContact O-N 2.75Å; P1069-M1073 HydrophobicContact CB-CE 3.6Å; P1069-M1073 WeakPolarHBondContact O-CE 3.3Å; P1069-M1073 WeakPolarHBondContact O-CG 3.4Å; P1069-M1073 PolarHBondContact O-N 3.48Å |
| 1070 | I | 89.2 | Confident | 87.1 | Confident | 43 Ų | 43 | 42.6 Ų | 42.6 | 22% | 0.221 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.1 | -34.6 | 178.2 | -57.2 | -62.6 | 0 | 0 | 0 | 110.7 | L1046 Q1049 C1068 M1073 R1074 | L1046-I1070 HydrophobicContact CB-CG2 4.49Å; L1046-I1070 HydrophobicContact CD2-CD1 3.94Å; L1046-I1070 HydrophobicContact CD2-CG2 3.98Å; Q1049-I1070 HydrophobicContact CB-CG2 4.41Å; C1068-I1070 PolarHBondContact O-N 2.75Å; I1070-M1073 HydrophobicContact CD1-CE 4.05Å; I1070-M1073 PolarHBondContact O-N 3.12Å; I1070-R1074 WeakPolarHBondContact O-CB 3.23Å; I1070-R1074 PolarHBondContact O-N 3.05Å |
| 1071 | F | 89.6 | Confident | 87.5 | Confident | 23 Ų | 23 | 37.4 Ų | 37.4 | 10% | 0.101 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.5 | -48.2 | 175.4 | 169.8 | -99.7 | 0 | 0 | 0 | 111.7 | I936 S1065 C1068 P1069 R1074 T1075 | I936-F1071 HydrophobicContact CD1-CE1 4Å; I936-F1071 HydrophobicContact CD1-CZ 4.37Å; I936-F1071 HydrophobicContact CG1-CE1 4.16Å; S1065-F1071 WeakPolarHBondContact O-CB 3.03Å; C1068-F1071 HydrophobicContact CB-CB 4.04Å; C1068-F1071 WeakPolarHBondContact O-CB 3.39Å; C1068-F1071 PolarHBondContact O-N 3.33Å; C1068-F1071 VanDerWaalsContact O-N 3.15Å; P1069-F1071 VanDerWaalsContact C-N 3.27Å; P1069-F1071 PolarHBondContact O-N 2.83Å; F1071-R1074 PolarHBondContact O-N 3.09Å; F1071-T1075 WeakPolarHBondContact O-CB 3.27Å; F1071-T1075 PolarHBondContact O-N 3.22Å; F1071-T1075 PolarHBondContact O-OG1 3.39Å |
| 1072 | Y | 89.7 | Confident | 87.8 | Confident | 4 Ų | 4 | 41.9 Ų | 41.9 | 2% | 0.016 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.9 | -44.6 | 176.6 | -66 | -76 | 0 | 0 | 0 | 112.2 | I871 I875 P935 I936 L939 R1066 C1068 P1069 R1074 T1075 K1076 | I871-Y1072 HydrophobicContact CG2-CD1 3.86Å; I871-Y1072 HydrophobicContact CG2-CG 4.08Å; I875-Y1072 HydrophobicContact CD1-CD2 4.41Å; I875-Y1072 HydrophobicContact CD1-CE1 4.13Å; I875-Y1072 HydrophobicContact CD1-CE2 3.66Å; P935-Y1072 HydrophobicContact CB-CE1 3.94Å; I936-Y1072 HydrophobicContact CG1-CE1 4.08Å; L939-Y1072 HydrophobicContact CD2-CD1 4.49Å; R1066-Y1072 WeakPolarHBondContact O-CE2 3.46Å; R1066-Y1072 PolarHBondContact O-OH 3.22Å; C1068-Y1072 WeakPolarHBondContact O-CD2 3.28Å; P1069-Y1072 PolarHBondContact O-N 2.75Å; Y1072-R1074 VanDerWaalsContact C-N 3.33Å; Y1072-R1074 PolarHBondContact O-N 2.68Å; Y1072-T1075 PolarHBondContact O-N 3.26Å; Y1072-K1076 WeakPolarHBondContact O-CB 3.41Å; Y1072-K1076 PolarHBondContact O-N 2.76Å |
| 1073 | M | 90.7 | Very high | 88.1 | Confident | 58 Ų | 58 | 43.7 Ų | 43.7 | 29% | 0.286 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61 | -41.9 | 177.9 | -72.9 | -174.2 | -110.5 | 0 | 0 | 112 | L1046 P1069 I1070 A1077 | L1046-M1073 HydrophobicContact CD1-CB 3.96Å; L1046-M1073 HydrophobicContact CD2-CB 3.89Å; L1046-M1073 HydrophobicContact CD2-SD 4.48Å; P1069-M1073 HydrophobicContact CB-CE 3.6Å; P1069-M1073 WeakPolarHBondContact O-CE 3.3Å; P1069-M1073 WeakPolarHBondContact O-CG 3.4Å; P1069-M1073 PolarHBondContact O-N 3.48Å; I1070-M1073 HydrophobicContact CD1-CE 4.05Å; I1070-M1073 PolarHBondContact O-N 3.12Å; M1073-A1077 VanDerWaalsContact O-CB 3.25Å; M1073-A1077 WeakPolarHBondContact O-CB 3.14Å; M1073-A1077 PolarHBondContact O-N 2.82Å |
| 1074 | R | 91.4 | Very high | 88.4 | Confident | 20 Ų | 20 | 43.9 Ų | 43.9 | 8% | 0.075 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.5 | -45.7 | 177.5 | -177.8 | -175.1 | 65.6 | 162.2 | -2.2 | 111 | F1043 L1046 C1063 I1070 F1071 Y1072 A1077 K1078 | F1043-R1074 HydrophobicContact CD2-CG 4.26Å; F1043-R1074 HydrophobicContact CE2-CG 3.8Å; L1046-R1074 HydrophobicContact CB-CB 4.17Å; L1046-R1074 HydrophobicContact CB-CG 4.49Å; C1063-R1074 PolarHBondContact O-NH2 3.32Å; I1070-R1074 WeakPolarHBondContact O-CB 3.23Å; I1070-R1074 PolarHBondContact O-N 3.05Å; F1071-R1074 PolarHBondContact O-N 3.09Å; Y1072-R1074 VanDerWaalsContact C-N 3.33Å; Y1072-R1074 PolarHBondContact O-N 2.68Å; R1074-A1077 PolarHBondContact O-N 2.91Å; R1074-K1078 WeakPolarHBondContact O-CB 3.3Å; R1074-K1078 PolarHBondContact O-N 2.89Å |
| 1075 | T | 90 | Very high | 89 | Confident | 29 Ų | 29 | 47.3 Ų | 47.3 | 18% | 0.178 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.6 | -44.5 | 178.6 | -55.7 | 0 | 0 | 0 | 0 | 110.7 | L939 F1071 Y1072 K1078 M1079 | L939-T1075 HydrophobicContact CD2-CG2 3.51Å; L939-T1075 HydrophobicContact CG-CG2 4.23Å; F1071-T1075 WeakPolarHBondContact O-CB 3.27Å; F1071-T1075 PolarHBondContact O-N 3.22Å; F1071-T1075 PolarHBondContact O-OG1 3.39Å; Y1072-T1075 PolarHBondContact O-N 3.26Å; T1075-K1078 PolarHBondContact O-N 3.01Å; T1075-M1079 WeakPolarHBondContact O-CG 3.31Å; T1075-M1079 PolarHBondContact O-N 3.02Å; T1075-M1079 VanDerWaalsContact O-N 3.14Å |
| 1076 | K | 89.3 | Confident | 89.4 | Confident | 48 Ų | 48 | 50.5 Ų | 50.5 | 21% | 0.209 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61 | -49.1 | 173.9 | -172.5 | 173 | 178 | 176.6 | 0 | 111.8 | L939 Y1072 K1078 M1079 D1080 | L939-K1076 HydrophobicContact CD1-CB 3.94Å; L939-K1076 HydrophobicContact CD1-CG 4.19Å; Y1072-K1076 WeakPolarHBondContact O-CB 3.41Å; Y1072-K1076 PolarHBondContact O-N 2.76Å; K1076-K1078 VanDerWaalsContact C-N 3.3Å; K1076-K1078 PolarHBondContact O-N 3.02Å; K1076-M1079 PolarHBondContact O-N 3.41Å; K1076-M1079 VanDerWaalsContact O-N 3.13Å; K1076-D1080 WeakPolarHBondContact O-CB 3.27Å; K1076-D1080 PolarHBondContact O-N 3.12Å |
| 1077 | A | 91.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.9 | -38.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | F1043 L1046 M1073 R1074 M1079 L1081 | F1043-A1077 HydrophobicContact CB-CB 4.25Å; F1043-A1077 HydrophobicContact CD2-CB 4.27Å; L1046-A1077 HydrophobicContact CD1-CB 3.93Å; M1073-A1077 VanDerWaalsContact O-CB 3.25Å; M1073-A1077 WeakPolarHBondContact O-CB 3.14Å; M1073-A1077 PolarHBondContact O-N 2.82Å; R1074-A1077 PolarHBondContact O-N 2.91Å; A1077-M1079 VanDerWaalsContact C-N 3.35Å; A1077-L1081 WeakPolarHBondContact O-CB 3.02Å; A1077-L1081 PolarHBondContact O-N 3.44Å |
| 1078 | K | 91.5 | Very high | 90.4 | Very high | 139 Ų | 139 | 46.1 Ų | 46.1 | 60% | 0.604 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -60.1 | -44.2 | 173.9 | -174.3 | 178.6 | 178.7 | 176.5 | 0 | 111.7 | F1043 R1074 T1075 K1076 Q1082 | F1043-K1078 HydrophobicContact CD2-CB 4.07Å; F1043-K1078 HydrophobicContact CE2-CB 3.73Å; F1043-K1078 HydrophobicContact CE2-CG 4.21Å; R1074-K1078 WeakPolarHBondContact O-CB 3.3Å; R1074-K1078 PolarHBondContact O-N 2.89Å; T1075-K1078 PolarHBondContact O-N 3.01Å; K1076-K1078 VanDerWaalsContact C-N 3.3Å; K1076-K1078 PolarHBondContact O-N 3.02Å; K1078-Q1082 WeakPolarHBondContact O-CB 3.17Å; K1078-Q1082 PolarHBondContact O-N 3.16Å |
| 1079 | M | 88.4 | Confident | 90.6 | Very high | 37 Ų | 37 | 50 Ų | 50 | 18% | 0.182 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69.8 | -47 | 179.2 | -66.8 | 179.9 | 67.9 | 0 | 0 | 112.1 | L939 E940 T1075 K1076 A1077 L1081 Q1082 D1083 | L939-M1079 HydrophobicContact CG-SD 4.18Å; L939-M1079 WeakPolarHBondContact O-CE 3.45Å; L939-M1079 VanDerWaalsContact O-SD 3.4Å; E940-M1079 WeakPolarHBondContact O-CE 3.43Å; T1075-M1079 WeakPolarHBondContact O-CG 3.31Å; T1075-M1079 PolarHBondContact O-N 3.02Å; T1075-M1079 VanDerWaalsContact O-N 3.14Å; K1076-M1079 PolarHBondContact O-N 3.41Å; K1076-M1079 VanDerWaalsContact O-N 3.13Å; A1077-M1079 VanDerWaalsContact C-N 3.35Å; M1079-L1081 VanDerWaalsContact C-N 3.26Å; M1079-L1081 PolarHBondContact O-N 3.05Å; M1079-Q1082 PolarHBondContact O-N 2.73Å; M1079-D1083 PolarHBondContact O-N 3.16Å |
| 1080 | D | 90.3 | Very high | 90.8 | Very high | 57 Ų | 57 | 48.1 Ų | 48.1 | 31% | 0.305 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59 | -41.7 | 176.6 | -69.4 | -16.7 | 0 | 0 | 0 | 110.4 | L1039 K1076 D1083 Q1084 | L1039-D1080 HydrophobicContact CD1-CB 4.14Å; L1039-D1080 HydrophobicContact CD2-CB 3.94Å; K1076-D1080 WeakPolarHBondContact O-CB 3.27Å; K1076-D1080 PolarHBondContact O-N 3.12Å; D1080-D1083 PolarHBondContact O-N 2.87Å; D1080-Q1084 WeakPolarHBondContact O-CB 3.44Å; D1080-Q1084 PolarHBondContact O-N 3.35Å |
| 1081 | L | 93.2 | Very high | 90.8 | Very high | 32 Ų | 32 | 46.9 Ų | 46.9 | 17% | 0.168 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.2 | -46.5 | 176.2 | 178.3 | 62.1 | 0 | 0 | 0 | 111.6 | L1036 L1039 E1040 F1043 A1077 M1079 D1083 Q1084 W1085 | L1036-L1081 HydrophobicContact CD1-CD1 3.63Å; L1036-L1081 HydrophobicContact CG-CD1 4.37Å; L1039-L1081 HydrophobicContact CB-CB 4.39Å; L1039-L1081 HydrophobicContact CB-CD1 4.07Å; E1040-L1081 HydrophobicContact CB-CD1 4.34Å; E1040-L1081 HydrophobicContact CG-CD1 3.33Å; E1040-L1081 HydrophobicContact CG-CD2 4.19Å; E1040-L1081 HydrophobicContact CG-CG 4.4Å; F1043-L1081 HydrophobicContact CB-CD2 4.33Å; F1043-L1081 HydrophobicContact CD1-CD2 4.37Å; F1043-L1081 HydrophobicContact CG-CD2 4.38Å; A1077-L1081 WeakPolarHBondContact O-CB 3.02Å; A1077-L1081 PolarHBondContact O-N 3.44Å; M1079-L1081 VanDerWaalsContact C-N 3.26Å; M1079-L1081 PolarHBondContact O-N 3.05Å; L1081-D1083 VanDerWaalsContact C-N 3.35Å; L1081-D1083 PolarHBondContact O-N 3.43Å; L1081-Q1084 PolarHBondContact O-N 3.26Å; L1081-W1085 VanDerWaalsContact O-CB 3.3Å; L1081-W1085 WeakPolarHBondContact O-CB 3.47Å; L1081-W1085 PolarHBondContact O-N 3.23Å |
| 1082 | Q | 92.1 | Very high | 90.5 | Very high | 103 Ų | 103 | 51.3 Ų | 51.3 | 48% | 0.481 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.5 | -41.8 | 177.2 | -176.5 | 63.6 | 54.8 | 0 | 0 | 112 | K1078 M1079 N1086 | K1078-Q1082 WeakPolarHBondContact O-CB 3.17Å; K1078-Q1082 PolarHBondContact O-N 3.16Å; M1079-Q1082 PolarHBondContact O-N 2.73Å; Q1082-N1086 PolarHBondContact NE2-OD1 3.46Å; Q1082-N1086 PolarHBondContact O-N 3.48Å; Q1082-N1086 PolarHBondContact O-ND2 3.44Å; Q1082-N1086 VanDerWaalsContact O-ND2 3.15Å |
| 1083 | D | 89.8 | Confident | 89.3 | Confident | 63 Ų | 63 | 54.9 Ų | 54.9 | 34% | 0.337 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -67.8 | -41.2 | 178.4 | -76 | -17.4 | 0 | 0 | 0 | 110.9 | K990 M1079 D1080 L1081 N1086 L1087 | K990-D1083 IonicContact NZ-OD1 3.7Å; K990-D1083 IonicContact NZ-OD2 3.49Å; K990-D1083 PolarHBondContact NZ-OD2 3.3Å; M1079-D1083 PolarHBondContact O-N 3.16Å; D1080-D1083 PolarHBondContact O-N 2.87Å; L1081-D1083 VanDerWaalsContact C-N 3.35Å; L1081-D1083 PolarHBondContact O-N 3.43Å; D1083-N1086 WeakPolarHBondContact O-CB 3.3Å; D1083-N1086 PolarHBondContact O-N 2.56Å; D1083-L1087 PolarHBondContact O-N 3.09Å |
| 1084 | Q | 93.5 | Very high | 87.4 | Confident | 22 Ų | 22 | 57.1 Ų | 57.1 | 10% | 0.103 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.7 | -40.9 | 175.3 | -170.3 | 63.6 | 23.7 | 0 | 0 | 112.1 | E1032 Q1035 L1036 L1039 D1080 L1081 N1086 L1087 V1088 | E1032-Q1084 PolarHBondContact O-NE2 2.8Å; E1032-Q1084 PolarHBondContact OE2-NE2 3.07Å; Q1035-Q1084 HydrophobicContact CG-CG 4.29Å; L1036-Q1084 HydrophobicContact CB-CG 3.99Å; L1036-Q1084 HydrophobicContact CD1-CB 4.11Å; L1036-Q1084 HydrophobicContact CD1-CG 4.01Å; L1039-Q1084 HydrophobicContact CD1-CB 3.68Å; L1039-Q1084 HydrophobicContact CD1-CG 4.03Å; D1080-Q1084 WeakPolarHBondContact O-CB 3.44Å; D1080-Q1084 PolarHBondContact O-N 3.35Å; L1081-Q1084 PolarHBondContact O-N 3.26Å; Q1084-N1086 VanDerWaalsContact C-N 3.29Å; Q1084-N1086 PolarHBondContact O-N 3.37Å; Q1084-L1087 WeakPolarHBondContact O-CB 3.2Å; Q1084-L1087 PolarHBondContact O-N 2.8Å; Q1084-V1088 PolarHBondContact O-N 3.3Å |
| 1085 | W | 93.5 | Very high | 85.3 | Confident | 106 Ų | 106 | 60 Ų | 60 | 40% | 0.402 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.5 | -40.8 | 173.8 | 178.4 | -111.1 | 0 | 0 | 0 | 112 | L1036 L1081 L1087 V1088 K1089 | L1036-W1085 HydrophobicContact CD1-CB 4.05Å; L1036-W1085 HydrophobicContact CD1-CE3 4.22Å; L1036-W1085 HydrophobicContact CD2-CE3 3.69Å; L1036-W1085 HydrophobicContact CD2-CZ3 4Å; L1081-W1085 VanDerWaalsContact O-CB 3.3Å; L1081-W1085 WeakPolarHBondContact O-CB 3.47Å; L1081-W1085 PolarHBondContact O-N 3.23Å; W1085-L1087 VanDerWaalsContact C-N 3.26Å; W1085-L1087 PolarHBondContact O-N 3.18Å; W1085-V1088 PolarHBondContact O-N 3.42Å; W1085-K1089 PolarHBondContact O-N 2.89Å |
| 1086 | N | 91 | Very high | 82.9 | Confident | 70 Ų | 70 | 63 Ų | 63 | 37% | 0.374 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.3 | -29.9 | 174.8 | -67.6 | -27.1 | 0 | 0 | 0 | 112.4 | Q1082 D1083 Q1084 | Q1082-N1086 PolarHBondContact NE2-OD1 3.46Å; Q1082-N1086 PolarHBondContact O-N 3.48Å; Q1082-N1086 PolarHBondContact O-ND2 3.44Å; Q1082-N1086 VanDerWaalsContact O-ND2 3.15Å; D1083-N1086 WeakPolarHBondContact O-CB 3.3Å; D1083-N1086 PolarHBondContact O-N 2.56Å; Q1084-N1086 VanDerWaalsContact C-N 3.29Å; Q1084-N1086 PolarHBondContact O-N 3.37Å |
| 1087 | L | 90.6 | Very high | 80.5 | Confident | 49 Ų | 49 | 65.3 Ų | 65.3 | 26% | 0.257 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -70.8 | -43.3 | 172.8 | -62.9 | -179 | 0 | 0 | 0 | 111.8 | L1005 D1083 Q1084 W1085 K1089 R1090 | L1005-L1087 HydrophobicContact CD2-CD2 4.09Å; D1083-L1087 PolarHBondContact O-N 3.09Å; Q1084-L1087 WeakPolarHBondContact O-CB 3.2Å; Q1084-L1087 PolarHBondContact O-N 2.8Å; W1085-L1087 VanDerWaalsContact C-N 3.26Å; W1085-L1087 PolarHBondContact O-N 3.18Å; L1087-K1089 VanDerWaalsContact C-N 3.32Å; L1087-K1089 PolarHBondContact O-N 3.06Å; L1087-R1090 VanDerWaalsContact O-CB 3.29Å; L1087-R1090 WeakPolarHBondContact O-CB 3Å; L1087-R1090 PolarHBondContact O-N 3.09Å; L1087-R1090 VanDerWaalsContact O-N 3.14Å |
| 1088 | V | 91.1 | Very high | 77.9 | Confident | 5 Ų | 5 | 68.9 Ų | 68.9 | 3% | 0.03 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.3 | -40.2 | 177.1 | 173.5 | 0 | 0 | 0 | 0 | 111 | Y1029 E1032 I1033 L1036 Q1084 W1085 R1090 F1091 | Y1029-V1088 HydrophobicContact CE2-CG1 4.02Å; E1032-V1088 HydrophobicContact CB-CG2 4.16Å; I1033-V1088 HydrophobicContact CD1-CB 4.46Å; I1033-V1088 HydrophobicContact CD1-CG1 3.53Å; I1033-V1088 HydrophobicContact CD1-CG2 4.05Å; I1033-V1088 HydrophobicContact CG1-CG1 4.43Å; L1036-V1088 HydrophobicContact CB-CG2 4.45Å; L1036-V1088 HydrophobicContact CD2-CG2 4.34Å; Q1084-V1088 PolarHBondContact O-N 3.3Å; W1085-V1088 PolarHBondContact O-N 3.42Å; V1088-R1090 PolarHBondContact O-N 3.13Å; V1088-F1091 WeakPolarHBondContact O-CB 3.29Å; V1088-F1091 VanDerWaalsContact O-CD2 3.31Å; V1088-F1091 WeakPolarHBondContact O-CD2 3.37Å; V1088-F1091 PolarHBondContact O-N 3.34Å |
| 1089 | K | 90.9 | Very high | 75.1 | Confident | 91 Ų | 91 | 66.6 Ų | 66.6 | 40% | 0.396 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -58.4 | -21.9 | 174.9 | -82 | -177.8 | 164.1 | 173.3 | 0 | 114.6 | W1085 L1087 F1091 D1092 E1093 | W1085-K1089 PolarHBondContact O-N 2.89Å; L1087-K1089 VanDerWaalsContact C-N 3.32Å; L1087-K1089 PolarHBondContact O-N 3.06Å; K1089-F1091 PolarHBondContact O-N 3.19Å; K1089-D1092 WeakPolarHBondContact O-CB 3.14Å; K1089-D1092 PolarHBondContact O-N 2.84Å; K1089-E1093 PolarHBondContact O-N 3.12Å |
| 1090 | R | 90.4 | Very high | 72.6 | Confident | 12 Ų | 12 | 70.5 Ų | 70.5 | 5% | 0.045 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -67.9 | -17.6 | 177.1 | -66.4 | 173.3 | 52.7 | -168.7 | -11.9 | 113.1 | E1002 T1003 G1015 A1016 L1087 V1088 | E1002-R1090 IonicContact OE2-CZ 2.94Å; E1002-R1090 IonicContact OE2-NE 3.12Å; E1002-R1090 PolarHBondContact OE2-NE 3.24Å; E1002-R1090 VanDerWaalsContact OE2-NE 3.12Å; E1002-R1090 IonicContact OE2-NH1 2.83Å; E1002-R1090 PolarHBondContact OE2-NH1 3.21Å; E1002-R1090 IonicContact OE2-NH2 3.64Å; T1003-R1090 PolarHBondContact O-NH1 2.77Å; T1003-R1090 PolarHBondContact O-NH2 3.28Å; G1015-R1090 CarbonylContact C-O 3.56Å; G1015-R1090 VanDerWaalsContact O-CZ 3.26Å; G1015-R1090 PolarHBondContact O-NE 3.45Å; G1015-R1090 PolarHBondContact O-NH2 3.44Å; A1016-R1090 HydrophobicContact CB-CB 4.1Å; A1016-R1090 PolarHBondContact N-O 3.35Å; L1087-R1090 VanDerWaalsContact O-CB 3.29Å; L1087-R1090 WeakPolarHBondContact O-CB 3Å; L1087-R1090 PolarHBondContact O-N 3.09Å; L1087-R1090 VanDerWaalsContact O-N 3.14Å; V1088-R1090 PolarHBondContact O-N 3.13Å |
| 1091 | F | 89 | Confident | 70 | Confident | 17 Ų | 17 | 73.8 Ų | 73.8 | 8% | 0.075 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -78.5 | -25.5 | 170.9 | -64.4 | -93.8 | 0 | 0 | 0 | 111.5 | L1005 A1016 T1017 E1025 I1028 Y1029 E1032 V1088 K1089 M1094 | L1005-F1091 HydrophobicContact CD1-CD2 4.38Å; L1005-F1091 HydrophobicContact CD1-CE2 3.5Å; L1005-F1091 VanDerWaalsContact CD1-CE2 3.5Å; L1005-F1091 HydrophobicContact CD1-CZ 3.81Å; A1016-F1091 HydrophobicContact CB-CB 4.39Å; A1016-F1091 HydrophobicContact CB-CD1 3.43Å; A1016-F1091 VanDerWaalsContact CB-CD1 3.43Å; A1016-F1091 HydrophobicContact CB-CD2 3.75Å; A1016-F1091 HydrophobicContact CB-CE1 3.54Å; A1016-F1091 HydrophobicContact CB-CE2 3.87Å; A1016-F1091 HydrophobicContact CB-CG 3.56Å; A1016-F1091 HydrophobicContact CB-CZ 3.77Å; T1017-F1091 HydrophobicContact CG2-CE1 4.29Å; E1025-F1091 HydrophobicContact CG-CD1 3.93Å; E1025-F1091 HydrophobicContact CG-CE1 3.8Å; I1028-F1091 HydrophobicContact CG2-CZ 3.95Å; Y1029-F1091 HydrophobicContact CD2-CB 3.93Å; Y1029-F1091 AromaticContact CD2-CD1 3.84Å; Y1029-F1091 HydrophobicContact CD2-CD1 3.84Å; Y1029-F1091 AromaticContact CD2-CD2 3.65Å; Y1029-F1091 HydrophobicContact CD2-CD2 3.65Å; Y1029-F1091 HydrophobicContact CD2-CE1 4.18Å; Y1029-F1091 AromaticContact CD2-CE2 4Å; Y1029-F1091 HydrophobicContact CD2-CE2 4Å; Y1029-F1091 AromaticContact CD2-CG 3.55Å; Y1029-F1091 HydrophobicContact CD2-CG 3.55Å; Y1029-F1091 HydrophobicContact CD2-CZ 4.24Å; Y1029-F1091 HydrophobicContact CE2-CB 4.16Å; Y1029-F1091 HydrophobicContact CE2-CD2 4.3Å; Y1029-F1091 HydrophobicContact CE2-CG 4.23Å; Y1029-F1091 HydrophobicContact CG-CD1 4.39Å; Y1029-F1091 HydrophobicContact CG-CE1 4.46Å; E1032-F1091 HydrophobicContact CB-CE2 4.43Å; E1032-F1091 HydrophobicContact CG-CE2 4.2Å; E1032-F1091 HydrophobicContact CG-CZ 4.43Å; V1088-F1091 WeakPolarHBondContact O-CB 3.29Å; V1088-F1091 VanDerWaalsContact O-CD2 3.31Å; V1088-F1091 WeakPolarHBondContact O-CD2 3.37Å; V1088-F1091 PolarHBondContact O-N 3.34Å; K1089-F1091 PolarHBondContact O-N 3.19Å; F1091-M1094 WeakPolarHBondContact O-CG 3.4Å |
| 1092 | D | 82.2 | Confident | 67.2 | Low | 116 Ų | 116 | 76 Ų | 76 | 62% | 0.62 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -83 | -21.4 | 175.9 | -57.3 | -33.7 | 0 | 0 | 0 | 112.8 | K1089 M1094 | K1089-D1092 WeakPolarHBondContact O-CB 3.14Å; K1089-D1092 PolarHBondContact O-N 2.84Å; D1092-M1094 PolarHBondContact O-N 3.24Å |
| 1093 | E | 66.1 | Low | 64.3 | Low | 78 Ų | 78 | 79.2 Ų | 79.2 | 36% | 0.364 | 46% | 0.457 | S | S | . | . | trans | -69.2 | 20 | 175.6 | -69.2 | -169 | 142 | 0 | 0 | 113.3 | K1014 K1089 D1095 | K1014-E1093 WeakPolarHBondContact CB-OE2 3.02Å; K1014-E1093 IonicContact NZ-OE1 2.81Å; K1014-E1093 PolarHBondContact NZ-OE1 3.33Å; K1089-E1093 PolarHBondContact O-N 3.12Å; E1093-D1095 PolarHBondContact O-N 2.94Å; E1093-D1095 VanDerWaalsContact O-N 3.15Å | ||
| 1094 | M | 50.4 | Low | 61.7 | Low | 105 Ų | 105 | 88.2 Ų | 88.2 | 52% | 0.517 | 49% | 0.486 | S | S | . | . | trans | -65.9 | 111.4 | 173.5 | -76.1 | -172.9 | 75.7 | 0 | 0 | 111.1 | F1091 D1092 | F1091-M1094 WeakPolarHBondContact O-CG 3.4Å; D1092-M1094 PolarHBondContact O-N 3.24Å | ||
| 1095 | D | 47.4 | Very low | 59 | Low | 80 Ų | 80 | 92.1 Ų | 92.1 | 43% | 0.428 | 52% | 0.516 | S | S | . | . | trans | 58.2 | 71 | 151 | -61.6 | -22.6 | 0 | 0 | 0 | 120 | E1093 S1097 S1098 | E1093-D1095 PolarHBondContact O-N 2.94Å; E1093-D1095 VanDerWaalsContact O-N 3.15Å; D1095-S1097 PolarHBondContact O-N 3.07Å; D1095-S1098 WeakPolarHBondContact CB-OG 3.27Å; D1095-S1098 PolarHBondContact OD2-OG 2.76Å; D1095-S1098 VanDerWaalsContact OD2-OG 3.08Å | ||
| 1096 | A | 39.9 | Very low | 56.2 | Low | 94 Ų | 94 | 91.2 Ų | 91.2 | 78% | 0.777 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -9.5 | 145.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 1097 | S | 38.4 | Very low | 53.5 | Low | 95 Ų | 95 | 98 Ų | 98 | 66% | 0.664 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101 | -14.1 | -177.5 | 74.3 | 0 | 0 | 0 | 0 | 115.4 | D1095 | D1095-S1097 PolarHBondContact O-N 3.07Š|
| 1098 | S | 36.5 | Very low | 51.6 | Low | 76 Ų | 76 | 100.4 Ų | 100.4 | 53% | 0.531 | 59% | 0.591 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.7 | -10 | 175.3 | 75 | 0 | 0 | 0 | 0 | 113.8 | D1095 | D1095-S1098 WeakPolarHBondContact CB-OG 3.27Å; D1095-S1098 PolarHBondContact OD2-OG 2.76Å; D1095-S1098 VanDerWaalsContact OD2-OG 3.08Å |
| 1099 | S | 32.8 | Very low | 49.6 | Very low | 90 Ų | 90 | 105.4 Ų | 105.4 | 63% | 0.629 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -92.2 | -4.9 | -179 | 56.6 | 0 | 0 | 0 | 0 | 115.9 | ||
| 1100 | T | 34.9 | Very low | 47.3 | Very low | 119 Ų | 119 | 106.2 Ų | 106.2 | 73% | 0.73 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -99.5 | 2.1 | -180 | -6.9 | 0 | 0 | 0 | 0 | 116.3 | ||
| 1101 | T | 36.2 | Very low | 44.7 | Very low | 127 Ų | 127 | 111.8 Ų | 111.8 | 78% | 0.779 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -126.2 | 12.7 | -173.3 | -21.2 | 0 | 0 | 0 | 0 | 116.7 | ||
| 1102 | A | 34.5 | Very low | 42 | Very low | 79 Ų | 79 | 117.7 Ų | 117.7 | 65% | 0.653 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -127.5 | 5.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 1103 | L | 31.4 | Very low | 39.3 | Very low | 169 Ų | 169 | 117.8 Ų | 117.8 | 89% | 0.885 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -118.7 | 20.2 | 179.7 | -94.4 | 156.4 | 0 | 0 | 0 | 115.2 | ||
| 1104 | R | 35.2 | Very low | 37.4 | Very low | 252 Ų | 252 | 120.6 Ų | 120.6 | 95% | 0.951 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -111.6 | 20.5 | 167.4 | -82.3 | -168.6 | 176.2 | -173.9 | 0.2 | 114.7 | ||
| 1105 | S | 37.9 | Very low | 36.4 | Very low | 105 Ų | 105 | 121.8 Ų | 121.8 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -141 | 63.7 | 171.9 | 66.4 | 0 | 0 | 0 | 0 | 111.9 | ||
| 1106 | A | 32.6 | Very low | 35.4 | Very low | 87 Ų | 87 | 125.3 Ų | 125.3 | 72% | 0.719 | 78% | 0.779 | S | S | * | * | trans | -164.9 | 49.1 | 160.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1107 | T | 35 | Very low | 35 | Very low | 211 Ų | 211 | 128.2 Ų | 128.2 | 100% | 1.294 | 78% | 0.779 | S | S | * | * | trans | 165 | 0 | 153.8 | 29.6 | 0 | 0 | 0 | 0 | 108 |
Retrieved 1,107 of 1,107 residues in 331.2 ms
(Link to these results)