| 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 | 34.3 | Very low | 32.2 | Very low | 228 Ų | 228 | 161.5 Ų | 161.5 | 100% | 1.123 | 85% | 0.849 | S | S | * | * | 0 | 92.7 | 0 | -116.2 | -173.6 | -93.4 | 0 | 0 | 105.5 | |||||
| 2 | F | 34.1 | Very low | 32.3 | Very low | 200 Ų | 200 | 161.8 Ų | 161.8 | 88% | 0.877 | 85% | 0.846 | S | S | * | * | cis | -140 | 149.8 | 34.3 | -90.4 | -101.4 | 0 | 0 | 0 | 112.2 | ||||
| 3 | E | 29.1 | Very low | 32.3 | Very low | 176 Ų | 176 | 158.4 Ų | 158.4 | 82% | 0.822 | 84% | 0.843 | S | S | * | * | trans | -75.5 | 137.8 | 170.9 | -77.7 | 176.2 | 137.5 | 0 | 0 | 112.2 | ||||
| 4 | V | 30.1 | Very low | 32.5 | Very low | 104 Ų | 104 | 154.4 Ų | 154.4 | 63% | 0.63 | 83% | 0.828 | S | S | * | * | 73 | 138.4 | 102 | -151.5 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 5 | F | 31.5 | Very low | 32.4 | Very low | 205 Ų | 205 | 157.1 Ų | 157.1 | 90% | 0.899 | 83% | 0.829 | S | S | * | * | trans | 83.5 | 132.1 | 160.7 | -61.7 | -73 | 0 | 0 | 0 | 117 | ||||
| 6 | G | 32.3 | Very low | 32.3 | Very low | 78 Ų | 78 | 157.8 Ų | 157.8 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | cis | -176.2 | 173.6 | 7.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 7 | G | 34.7 | Very low | 32.5 | Very low | 77 Ų | 77 | 157.1 Ų | 157.1 | 79% | 0.794 | 82% | 0.819 | S | S | * | * | trans | 168.8 | 73.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | F9 | G7-F9 PolarHBondContact O-N 2.96Š| ||
| 8 | S | 30.6 | Very low | 32.5 | Very low | 114 Ų | 114 | 160.3 Ų | 160.3 | 80% | 0.797 | 82% | 0.82 | S | S | * | * | trans | -64.8 | 120.3 | 175.3 | 47.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 9 | F | 32.7 | Very low | 32.6 | Very low | 205 Ų | 205 | 163.9 Ų | 163.9 | 90% | 0.899 | 82% | 0.822 | S | S | * | * | trans | -117.9 | 111.3 | 155.1 | -98.4 | -88.2 | 0 | 0 | 0 | 109.2 | G7 R11 | G7-F9 PolarHBondContact O-N 2.96Å; F9-R11 PolarHBondContact O-N 3.26Å | ||
| 10 | I | 33 | Very low | 32.9 | Very low | 159 Ų | 159 | 164.3 Ų | 164.3 | 82% | 0.815 | 82% | 0.821 | S | S | * | * | trans | -64.8 | 98 | 172.9 | -63.7 | 163.4 | 0 | 0 | 0 | 107.4 | M12 | I10-M12 PolarHBondContact O-N 2.84Š| ||
| 11 | R | 32.5 | Very low | 33.1 | Very low | 231 Ų | 231 | 161.9 Ų | 161.9 | 87% | 0.872 | 82% | 0.817 | S | S | * | * | trans | -89.8 | 94.7 | 170.4 | -148.6 | 175.9 | -171.2 | 178.1 | 2.6 | 107.3 | F9 S13 | F9-R11 PolarHBondContact O-N 3.26Å; R11-S13 PolarHBondContact O-N 3.09Å | ||
| 12 | M | 33 | Very low | 33.6 | Very low | 165 Ų | 165 | 156.9 Ų | 156.9 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | trans | -49.3 | 110.8 | 165.2 | -83.9 | 176.5 | 95.9 | 0 | 0 | 107.7 | I10 V14 | I10-M12 PolarHBondContact O-N 2.84Å; M12-V14 PolarHBondContact O-N 3.26Å | ||
| 13 | S | 32.3 | Very low | 33.9 | Very low | 117 Ų | 117 | 158.4 Ų | 158.4 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -71.3 | 85.2 | 172.7 | -70.8 | 0 | 0 | 0 | 0 | 107.9 | R11 K15 | R11-S13 PolarHBondContact O-N 3.09Å; S13-K15 VanDerWaalsContact C-N 3.34Å; S13-K15 PolarHBondContact O-N 3.24Å | ||
| 14 | V | 34.4 | Very low | 34.2 | Very low | 103 Ų | 103 | 158.1 Ų | 158.1 | 62% | 0.624 | 79% | 0.79 | S | S | * | * | trans | -63.1 | 102.6 | 161.2 | 179.3 | 0 | 0 | 0 | 0 | 105.5 | M12 F16 | M12-V14 PolarHBondContact O-N 3.26Å; V14-F16 HydrophobicContact CB-CD2 4.28Å; V14-F16 HydrophobicContact CB-CE2 4.34Å; V14-F16 HydrophobicContact CG1-CD2 3.81Å; V14-F16 HydrophobicContact CG1-CE2 3.86Å; V14-F16 PolarHBondContact O-N 3.35Å | ||
| 15 | K | 32.4 | Very low | 34.5 | Very low | 195 Ų | 195 | 160.2 Ų | 160.2 | 85% | 0.848 | 80% | 0.795 | S | S | * | * | trans | -60 | 88.1 | 162.8 | -84.4 | -178.4 | 175.1 | 177.5 | 0 | 106.8 | S13 I17 | S13-K15 VanDerWaalsContact C-N 3.34Å; S13-K15 PolarHBondContact O-N 3.24Å; K15-I17 VanDerWaalsContact C-N 3.26Å; K15-I17 PolarHBondContact O-N 3.42Å | ||
| 16 | F | 30.3 | Very low | 35 | Very low | 167 Ų | 167 | 153.9 Ų | 153.9 | 73% | 0.732 | 79% | 0.787 | S | S | * | * | trans | -61.2 | 99.8 | 159.3 | -89.3 | -88.2 | 0 | 0 | 0 | 105.9 | V14 Y18 | V14-F16 HydrophobicContact CB-CD2 4.28Å; V14-F16 HydrophobicContact CB-CE2 4.34Å; V14-F16 HydrophobicContact CG1-CD2 3.81Å; V14-F16 HydrophobicContact CG1-CE2 3.86Å; V14-F16 PolarHBondContact O-N 3.35Å; F16-Y18 PolarHBondContact O-N 3.5Å | ||
| 17 | I | 35 | Very low | 35.6 | Very low | 146 Ų | 146 | 156.2 Ų | 156.2 | 75% | 0.749 | 79% | 0.792 | S | S | * | * | trans | -59.1 | 100.4 | 159.1 | -62.6 | 169.8 | 0 | 0 | 0 | 103.8 | K15 R19 | K15-I17 VanDerWaalsContact C-N 3.26Å; K15-I17 PolarHBondContact O-N 3.42Å; I17-R19 PolarHBondContact O-N 3.35Å | ||
| 18 | Y | 32.5 | Very low | 35.9 | Very low | 215 Ų | 215 | 159.8 Ų | 159.8 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | trans | -56.1 | 94.9 | 167 | -85.5 | -92.1 | 0 | 0 | 0 | 106.5 | F16 E20 | F16-Y18 PolarHBondContact O-N 3.5Å; Y18-E20 PolarHBondContact O-N 3.05Å; Y18-E20 VanDerWaalsContact O-N 3.11Å | ||
| 19 | R | 34.8 | Very low | 36.4 | Very low | 229 Ų | 229 | 161.6 Ų | 161.6 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | trans | -66 | 106.4 | 158.1 | -77.9 | -174.7 | 168.5 | -179.1 | -2.2 | 104.4 | I17 | I17-R19 PolarHBondContact O-N 3.35Š| ||
| 20 | E | 37.7 | Very low | 37 | Very low | 171 Ų | 171 | 160.8 Ų | 160.8 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | trans | -46 | 134 | 175.4 | -66.6 | -176.4 | 158.2 | 0 | 0 | 109.6 | Y18 I22 | Y18-E20 PolarHBondContact O-N 3.05Å; Y18-E20 VanDerWaalsContact O-N 3.11Å; E20-I22 PolarHBondContact O-N 3.31Å | ||
| 21 | P | 38.1 | Very low | 37.9 | Very low | 114 Ų | 114 | 157.5 Ų | 157.5 | 74% | 0.74 | 78% | 0.776 | S | S | * | * | trans | -62.4 | 130.4 | 178.8 | 25.6 | -32.1 | 0 | 0 | 0 | 109.1 | R23 | P21-R23 PolarHBondContact O-N 3.33Š| ||
| 22 | I | 43.9 | Very low | 38.7 | Very low | 124 Ų | 124 | 150.5 Ų | 150.5 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | trans | -48.2 | 106.2 | 171.9 | -62.5 | 162.7 | 0 | 0 | 0 | 107.7 | E20 F24 | E20-I22 PolarHBondContact O-N 3.31Å; I22-F24 HydrophobicContact CG2-CD2 4.07Å; I22-F24 HydrophobicContact CG2-CE2 4Å; I22-F24 PolarHBondContact O-N 3.02Å | ||
| 23 | R | 40.4 | Very low | 39.6 | Very low | 232 Ų | 232 | 148 Ų | 148 | 88% | 0.875 | 74% | 0.74 | S | S | * | * | trans | -68.8 | 104.3 | 172.4 | -76.6 | -170.9 | -177.6 | -174.4 | 1.3 | 107.8 | P21 M25 | P21-R23 PolarHBondContact O-N 3.33Å; R23-M25 PolarHBondContact O-N 3.32Å | ||
| 24 | F | 35.8 | Very low | 40.7 | Very low | 169 Ų | 169 | 147.6 Ų | 147.6 | 74% | 0.741 | 74% | 0.735 | S | S | * | * | trans | -73.5 | 118.7 | 165.9 | -89.2 | -91.1 | 0 | 0 | 0 | 108.7 | I22 | I22-F24 HydrophobicContact CG2-CD2 4.07Å; I22-F24 HydrophobicContact CG2-CE2 4Å; I22-F24 PolarHBondContact O-N 3.02Å | ||
| 25 | M | 37.8 | Very low | 41.7 | Very low | 149 Ų | 149 | 150.9 Ų | 150.9 | 73% | 0.734 | 74% | 0.737 | S | S | * | * | trans | -133.5 | 119.2 | 168.7 | -75.4 | -164.1 | 63.8 | 0 | 0 | 110.5 | R23 | R23-M25 PolarHBondContact O-N 3.32Š| ||
| 26 | G | 41.9 | Very low | 42.8 | Very low | 71 Ų | 71 | 147 Ų | 147 | 73% | 0.732 | 72% | 0.723 | S | S | * | * | S | Bend | trans | 82.1 | 156.5 | 162.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | L28 | G26-L28 PolarHBondContact O-N 3.06Š|
| 27 | S | 44.4 | Very low | 43.9 | Very low | 128 Ų | 128 | 145.2 Ų | 145.2 | 90% | 0.895 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -70.7 | 11.5 | -166.5 | 58.4 | 0 | 0 | 0 | 0 | 116.7 | ||
| 28 | L | 40.6 | Very low | 44.9 | Very low | 152 Ų | 152 | 146.6 Ų | 146.6 | 80% | 0.796 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -116.2 | 98.8 | 173.9 | -68.7 | 170.5 | 0 | 0 | 0 | 108.5 | G26 K30 | G26-L28 PolarHBondContact O-N 3.06Å; L28-K30 VanDerWaalsContact C-N 3.28Å; L28-K30 PolarHBondContact O-N 3.16Å |
| 29 | N | 41 | Very low | 46 | Very low | 152 Ų | 152 | 145.3 Ų | 145.3 | 81% | 0.813 | 72% | 0.72 | S | S | * | * | trans | -57.7 | 83.3 | 176.8 | -75.2 | -22.1 | 0 | 0 | 0 | 111.9 | ||||
| 30 | K | 46.3 | Very low | 47.5 | Very low | 188 Ų | 188 | 140.6 Ų | 140.6 | 82% | 0.817 | 71% | 0.706 | S | S | * | * | trans | -112.1 | 110.8 | 164.5 | -127.5 | -179.7 | -172.9 | -179.8 | 0 | 107.2 | L28 V32 | L28-K30 VanDerWaalsContact C-N 3.28Å; L28-K30 PolarHBondContact O-N 3.16Å; K30-V32 PolarHBondContact O-N 3.09Å | ||
| 31 | V | 51.8 | Low | 48.8 | Very low | 90 Ų | 90 | 135.1 Ų | 135.1 | 55% | 0.545 | 69% | 0.685 | S | S | . | * | trans | -67.6 | 100.7 | 171.8 | 178.7 | 0 | 0 | 0 | 0 | 107.1 | Y33 | V31-Y33 HydrophobicContact CG1-CD1 4.42Å; V31-Y33 HydrophobicContact CG1-CE1 4.18Å; V31-Y33 HydrophobicContact CG1-CE2 4.38Å; V31-Y33 PolarHBondContact O-N 2.74Å | ||
| 32 | V | 47.9 | Very low | 50.4 | Low | 84 Ų | 84 | 138.8 Ų | 138.8 | 51% | 0.509 | 69% | 0.69 | S | S | . | * | trans | -82.1 | 104.5 | 172.4 | -178.2 | 0 | 0 | 0 | 0 | 106.9 | K30 M36 | K30-V32 PolarHBondContact O-N 3.09Å; V32-M36 HydrophobicContact CG1-CB 3.76Å | ||
| 33 | Y | 53 | Low | 52 | Low | 111 Ų | 111 | 141.5 Ų | 141.5 | 44% | 0.435 | 69% | 0.692 | S | S | . | * | trans | -64.6 | 151.3 | 173.7 | -64.3 | -82.7 | 0 | 0 | 0 | 110.7 | V31 W35 M36 | V31-Y33 HydrophobicContact CG1-CD1 4.42Å; V31-Y33 HydrophobicContact CG1-CE1 4.18Å; V31-Y33 HydrophobicContact CG1-CE2 4.38Å; V31-Y33 PolarHBondContact O-N 2.74Å; Y33-W35 VanDerWaalsContact CB-CE2 3.42Å; Y33-W35 AromaticContact CD1-CH2 3.19Å; Y33-W35 HydrophobicContact CD1-CH2 3.19Å; Y33-W35 AromaticContact CD1-CZ2 3.72Å; Y33-W35 HydrophobicContact CD1-CZ2 3.72Å; Y33-W35 AromaticContact CD1-CZ3 3.75Å; Y33-W35 HydrophobicContact CD1-CZ3 3.75Å; Y33-W35 HydrophobicContact CD2-CH2 4.06Å; Y33-W35 AromaticContact CD2-CZ2 3.67Å; Y33-W35 HydrophobicContact CD2-CZ2 3.67Å; Y33-W35 AromaticContact CE1-CH2 3.92Å; Y33-W35 HydrophobicContact CE1-CH2 3.92Å; Y33-W35 HydrophobicContact CE1-CZ2 4.42Å; Y33-W35 HydrophobicContact CE2-CZ2 4.38Å; Y33-W35 HydrophobicContact CG-CD2 4.48Å; Y33-W35 AromaticContact CG-CE2 3.91Å; Y33-W35 HydrophobicContact CG-CE3 4.43Å; Y33-W35 AromaticContact CG-CH2 3.27Å; Y33-W35 HydrophobicContact CG-CH2 3.27Å; Y33-W35 AromaticContact CG-CZ2 3.28Å; Y33-W35 HydrophobicContact CG-CZ2 3.28Å; Y33-W35 AromaticContact CG-CZ3 3.88Å; Y33-W35 HydrophobicContact CG-CZ3 3.88Å; Y33-W35 PolarHBondContact O-N 3.16Å; Y33-M36 HydrophobicContact CD2-CE 4.3Å; Y33-M36 HydrophobicContact CD2-SD 4Å; Y33-M36 WeakPolarHBondContact O-CA 3.4Å; Y33-M36 WeakPolarHBondContact O-CB 3.24Å; Y33-M36 PolarHBondContact O-N 3.3Å | ||
| 34 | P | 54 | Low | 53.7 | Low | 110 Ų | 110 | 133 Ų | 133 | 71% | 0.714 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.4 | -29.7 | -176.6 | -27.2 | 33.8 | 0 | 0 | 0 | 114.6 | ||
| 35 | W | 56.3 | Low | 55.3 | Low | 171 Ų | 171 | 130.7 Ų | 130.7 | 65% | 0.648 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | -12.5 | 176.3 | 66.9 | 84.5 | 0 | 0 | 0 | 114.8 | Y33 | Y33-W35 VanDerWaalsContact CB-CE2 3.42Å; Y33-W35 AromaticContact CD1-CH2 3.19Å; Y33-W35 HydrophobicContact CD1-CH2 3.19Å; Y33-W35 AromaticContact CD1-CZ2 3.72Å; Y33-W35 HydrophobicContact CD1-CZ2 3.72Å; Y33-W35 AromaticContact CD1-CZ3 3.75Å; Y33-W35 HydrophobicContact CD1-CZ3 3.75Å; Y33-W35 HydrophobicContact CD2-CH2 4.06Å; Y33-W35 AromaticContact CD2-CZ2 3.67Å; Y33-W35 HydrophobicContact CD2-CZ2 3.67Å; Y33-W35 AromaticContact CE1-CH2 3.92Å; Y33-W35 HydrophobicContact CE1-CH2 3.92Å; Y33-W35 HydrophobicContact CE1-CZ2 4.42Å; Y33-W35 HydrophobicContact CE2-CZ2 4.38Å; Y33-W35 HydrophobicContact CG-CD2 4.48Å; Y33-W35 AromaticContact CG-CE2 3.91Å; Y33-W35 HydrophobicContact CG-CE3 4.43Å; Y33-W35 AromaticContact CG-CH2 3.27Å; Y33-W35 HydrophobicContact CG-CH2 3.27Å; Y33-W35 AromaticContact CG-CZ2 3.28Å; Y33-W35 HydrophobicContact CG-CZ2 3.28Å; Y33-W35 AromaticContact CG-CZ3 3.88Å; Y33-W35 HydrophobicContact CG-CZ3 3.88Å; Y33-W35 PolarHBondContact O-N 3.16Å |
| 36 | M | 54.7 | Low | 56.6 | Low | 115 Ų | 115 | 129.7 Ų | 129.7 | 57% | 0.567 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -18 | 172.9 | -73.9 | -175.1 | 164.9 | 0 | 0 | 112.1 | V32 Y33 K38 | V32-M36 HydrophobicContact CG1-CB 3.76Å; Y33-M36 HydrophobicContact CD2-CE 4.3Å; Y33-M36 HydrophobicContact CD2-SD 4Å; Y33-M36 WeakPolarHBondContact O-CA 3.4Å; Y33-M36 WeakPolarHBondContact O-CB 3.24Å; Y33-M36 PolarHBondContact O-N 3.3Å; M36-K38 PolarHBondContact O-N 3.43Å |
| 37 | N | 54.4 | Low | 57.6 | Low | 129 Ų | 129 | 134.7 Ų | 134.7 | 69% | 0.69 | 66% | 0.664 | S | S | * | * | trans | -77.2 | 52.9 | 170.5 | -152.8 | 9.5 | 0 | 0 | 0 | 110.5 | K39 | N37-K39 PolarHBondContact O-N 3.1Å; N37-K39 VanDerWaalsContact O-N 3.09Å | ||
| 38 | K | 56 | Low | 58.5 | Low | 175 Ų | 175 | 131.2 Ų | 131.2 | 76% | 0.761 | 64% | 0.643 | S | S | * | * | trans | -70.2 | 105.7 | 166.9 | -71 | -175.6 | 179.7 | -177.5 | 0 | 105.6 | M36 K40 | M36-K38 PolarHBondContact O-N 3.43Å; K38-K40 PolarHBondContact O-N 3.29Å | ||
| 39 | K | 55.7 | Low | 59.6 | Low | 187 Ų | 187 | 126.3 Ų | 126.3 | 81% | 0.813 | 62% | 0.621 | S | S | * | * | trans | -42 | 121 | 156.7 | -78.6 | -172 | 174.9 | -173.4 | 0 | 106 | N37 | N37-K39 PolarHBondContact O-N 3.1Å; N37-K39 VanDerWaalsContact O-N 3.09Å | ||
| 40 | K | 64.9 | Low | 60.5 | Low | 131 Ų | 131 | 124 Ų | 124 | 57% | 0.57 | 62% | 0.615 | S | S | * | * | trans | -51.6 | 137.5 | 178.2 | -66.6 | -178.9 | -178.2 | 177.6 | 0 | 107 | K38 V44 | K38-K40 PolarHBondContact O-N 3.29Å; K40-V44 HydrophobicContact CB-CB 4.14Å; K40-V44 HydrophobicContact CB-CG1 4.19Å; K40-V44 HydrophobicContact CD-CG1 3.92Å | ||
| 41 | P | 66.3 | Low | 61.3 | Low | 56 Ų | 56 | 123.4 Ų | 123.4 | 36% | 0.364 | 61% | 0.609 | S | S | . | * | trans | -56 | 148.4 | -176.2 | 20.1 | -29.3 | 0 | 0 | 0 | 110.5 | W43 V44 | P41-W43 HydrophobicContact CB-CD2 3.75Å; P41-W43 VanDerWaalsContact CB-CE2 3.5Å; P41-W43 HydrophobicContact CB-CE3 3.76Å; P41-W43 HydrophobicContact CB-CH2 3.36Å; P41-W43 HydrophobicContact CB-CZ2 3.32Å; P41-W43 HydrophobicContact CB-CZ3 3.58Å; P41-W43 HydrophobicContact CG-CD2 4.21Å; P41-W43 HydrophobicContact CG-CH2 4.01Å; P41-W43 HydrophobicContact CG-CZ2 3.44Å; P41-W43 VanDerWaalsContact CG-CZ2 3.44Å; P41-W43 PolarHBondContact O-N 3.22Å; P41-V44 HydrophobicContact CG-CG2 3.84Å; P41-V44 WeakPolarHBondContact O-CB 3.32Å; P41-V44 PolarHBondContact O-N 3.23Å | ||
| 42 | F | 72.4 | Confident | 61.9 | Low | 190 Ų | 190 | 121.6 Ų | 121.6 | 83% | 0.833 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | -21.1 | -166.6 | 67.8 | -91.5 | 0 | 0 | 0 | 115 | V44 | F42-V44 VanDerWaalsContact C-N 3.31Š|
| 43 | W | 76.4 | Confident | 62.9 | Low | 182 Ų | 182 | 120.7 Ų | 120.7 | 69% | 0.689 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -7.3 | 176 | 62.4 | 82.5 | 0 | 0 | 0 | 113.8 | P41 | P41-W43 HydrophobicContact CB-CD2 3.75Å; P41-W43 VanDerWaalsContact CB-CE2 3.5Å; P41-W43 HydrophobicContact CB-CE3 3.76Å; P41-W43 HydrophobicContact CB-CH2 3.36Å; P41-W43 HydrophobicContact CB-CZ2 3.32Å; P41-W43 HydrophobicContact CB-CZ3 3.58Å; P41-W43 HydrophobicContact CG-CD2 4.21Å; P41-W43 HydrophobicContact CG-CH2 4.01Å; P41-W43 HydrophobicContact CG-CZ2 3.44Å; P41-W43 VanDerWaalsContact CG-CZ2 3.44Å; P41-W43 PolarHBondContact O-N 3.22Å |
| 44 | V | 75.8 | Confident | 63.6 | Low | 54 Ų | 54 | 122 Ų | 122 | 33% | 0.327 | 60% | 0.6 | S | S | . | * | S | Bend | trans | -91.2 | 108.5 | 174.1 | 178.7 | 0 | 0 | 0 | 0 | 107.5 | K40 P41 F42 Q46 | K40-V44 HydrophobicContact CB-CB 4.14Å; K40-V44 HydrophobicContact CB-CG1 4.19Å; K40-V44 HydrophobicContact CD-CG1 3.92Å; P41-V44 HydrophobicContact CG-CG2 3.84Å; P41-V44 WeakPolarHBondContact O-CB 3.32Å; P41-V44 PolarHBondContact O-N 3.23Å; F42-V44 VanDerWaalsContact C-N 3.31Å; V44-Q46 PolarHBondContact O-N 2.84Å; V44-Q46 VanDerWaalsContact O-N 3.09Å |
| 45 | T | 70.2 | Confident | 64.6 | Low | 119 Ų | 119 | 123.4 Ų | 123.4 | 73% | 0.73 | 60% | 0.601 | S | S | * | * | trans | -51.5 | 117.6 | 173.2 | -43.9 | 0 | 0 | 0 | 0 | 109.3 | E47 | T45-E47 PolarHBondContact O-N 3.35Š| ||
| 46 | Q | 64.4 | Low | 65.8 | Low | 129 Ų | 129 | 117.4 Ų | 117.4 | 60% | 0.603 | 58% | 0.584 | S | S | * | * | trans | -84.5 | 95.8 | 175.3 | -64.1 | -178.4 | 9.7 | 0 | 0 | 107 | V44 A48 | V44-Q46 PolarHBondContact O-N 2.84Å; V44-Q46 VanDerWaalsContact O-N 3.09Å; Q46-A48 PolarHBondContact O-N 3.45Å | ||
| 47 | E | 63.9 | Low | 67.4 | Low | 175 Ų | 175 | 115.1 Ų | 115.1 | 82% | 0.818 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 116.9 | 165.6 | -66.2 | -179.6 | 176.5 | 0 | 0 | 107.3 | T45 S49 | T45-E47 PolarHBondContact O-N 3.35Å; E47-S49 PolarHBondContact O-N 3.19Å |
| 48 | A | 62.5 | Low | 69 | Low | 55 Ų | 55 | 113.9 Ų | 113.9 | 46% | 0.455 | 58% | 0.575 | S | S | . | * | P | Polyproline II helix | trans | -53.9 | 127.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | Q46 | Q46-A48 PolarHBondContact O-N 3.45Š|
| 49 | S | 62.9 | Low | 70.5 | Confident | 49 Ų | 49 | 113 Ų | 113 | 34% | 0.343 | 57% | 0.574 | S | S | . | * | P | Polyproline II helix | trans | -68.8 | 128.8 | 176.5 | 75.9 | 0 | 0 | 0 | 0 | 107.9 | E47 Y51 V52 | E47-S49 PolarHBondContact O-N 3.19Å; S49-Y51 PolarHBondContact O-N 3.17Å; S49-V52 PolarHBondContact O-N 3.1Å; S49-V52 VanDerWaalsContact OG-CB 3.32Å; S49-V52 WeakPolarHBondContact OG-CB 3.21Å; S49-V52 WeakPolarHBondContact OG-CG2 3.08Å; S49-V52 PolarHBondContact OG-N 3.06Å |
| 50 | P | 61.5 | Low | 72.2 | Confident | 105 Ų | 105 | 108.1 Ų | 108.1 | 68% | 0.682 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | -9.5 | -177.8 | 26.3 | -35.3 | 0 | 0 | 0 | 113.3 | ||
| 51 | Y | 63 | Low | 73.3 | Confident | 175 Ų | 175 | 105.9 Ų | 105.9 | 69% | 0.686 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -14.6 | 179.5 | -60.8 | -69.6 | 0 | 0 | 0 | 113.9 | S49 | S49-Y51 PolarHBondContact O-N 3.17Š|
| 52 | V | 64.1 | Low | 74.3 | Confident | 52 Ų | 52 | 110.1 Ų | 110.1 | 32% | 0.315 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -118.8 | 116.4 | -177.3 | -168.5 | 0 | 0 | 0 | 0 | 108 | S49 E54 | S49-V52 PolarHBondContact O-N 3.1Å; S49-V52 VanDerWaalsContact OG-CB 3.32Å; S49-V52 WeakPolarHBondContact OG-CB 3.21Å; S49-V52 WeakPolarHBondContact OG-CG2 3.08Å; S49-V52 PolarHBondContact OG-N 3.06Å; V52-E54 HydrophobicContact CB-CG 3.86Å; V52-E54 HydrophobicContact CG1-CG 3.3Å; V52-E54 PolarHBondContact O-N 3.4Å |
| 53 | D | 67.7 | Low | 75.2 | Confident | 65 Ų | 65 | 106.7 Ų | 106.7 | 35% | 0.348 | 54% | 0.544 | S | S | . | . | trans | -70.5 | 52.2 | 176 | -63.2 | -31.7 | 0 | 0 | 0 | 111.2 | D55 V56 K61 | D53-D55 VanDerWaalsContact C-N 3.3Å; D53-D55 PolarHBondContact O-N 2.94Å; D53-V56 HydrophobicContact CB-CB 4.12Å; D53-V56 HydrophobicContact CB-CG2 3.96Å; D53-K61 WeakPolarHBondContact OD2-CE 3.39Å; D53-K61 IonicContact OD2-NZ 3.21Å | ||
| 54 | E | 68.5 | Low | 75.7 | Confident | 139 Ų | 139 | 100.9 Ų | 100.9 | 65% | 0.65 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -33.2 | -174.9 | -62 | -168 | 165 | 0 | 0 | 112.1 | V52 | V52-E54 HydrophobicContact CB-CG 3.86Å; V52-E54 HydrophobicContact CG1-CG 3.3Å; V52-E54 PolarHBondContact O-N 3.4Å |
| 55 | D | 75.9 | Confident | 76.1 | Confident | 138 Ų | 138 | 102.3 Ų | 102.3 | 74% | 0.738 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | -0.4 | -174.5 | -59.1 | -37.6 | 0 | 0 | 0 | 113.7 | D53 | D53-D55 VanDerWaalsContact C-N 3.3Å; D53-D55 PolarHBondContact O-N 2.94Å |
| 56 | V | 81.5 | Confident | 76.8 | Confident | 46 Ų | 46 | 102.6 Ų | 102.6 | 28% | 0.279 | 52% | 0.523 | S | S | . | . | trans | -91.5 | 117.8 | -175.9 | -170.9 | 0 | 0 | 0 | 0 | 109.5 | D53 N60 K61 L64 | D53-V56 HydrophobicContact CB-CB 4.12Å; D53-V56 HydrophobicContact CB-CG2 3.96Å; V56-N60 HydrophobicContact CG1-CB 3.71Å; V56-K61 HydrophobicContact CG1-CB 3.94Å; V56-L64 HydrophobicContact CG1-CD1 4.1Å | ||
| 57 | T | 87.7 | Confident | 77.8 | Confident | 67 Ų | 67 | 102 Ų | 102 | 41% | 0.411 | 52% | 0.52 | S | S | . | . | trans | -59.5 | 150.1 | 171.7 | 63.1 | 0 | 0 | 0 | 0 | 110.3 | E59 N60 K61 | T57-E59 PolarHBondContact O-N 2.96Å; T57-E59 VanDerWaalsContact O-N 3.16Å; T57-N60 PolarHBondContact O-N 3.34Å; T57-N60 VanDerWaalsContact OG1-CB 3.32Å; T57-N60 WeakPolarHBondContact OG1-CB 3.43Å; T57-N60 PolarHBondContact OG1-N 2.93Å; T57-N60 PolarHBondContact OG1-ND2 2.86Å; T57-N60 PolarHBondContact OG1-OD1 2.81Å; T57-K61 PolarHBondContact O-N 3.44Å | ||
| 58 | P | 87.4 | Confident | 78.5 | Confident | 102 Ų | 102 | 97.1 Ų | 97.1 | 66% | 0.662 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -59.9 | -30.4 | -177.7 | 23.8 | -34.4 | 0 | 0 | 0 | 112.9 | K62 | P58-K62 PolarHBondContact O-N 3.29Å |
| 59 | E | 88.8 | Confident | 79.2 | Confident | 156 Ų | 156 | 99.5 Ų | 99.5 | 73% | 0.729 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.7 | -48.7 | 173.5 | -65.4 | 176.4 | -175.7 | 0 | 0 | 111.4 | T57 K61 K62 F63 | T57-E59 PolarHBondContact O-N 2.96Å; T57-E59 VanDerWaalsContact O-N 3.16Å; E59-K61 PolarHBondContact O-N 3.29Å; E59-K62 PolarHBondContact O-N 2.98Å; E59-F63 PolarHBondContact O-N 3.47Å |
| 60 | N | 90.1 | Very high | 79.8 | Confident | 86 Ų | 86 | 101.7 Ų | 101.7 | 46% | 0.46 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.2 | -33.5 | 176.8 | -71.1 | -4.2 | 0 | 0 | 0 | 111.7 | V56 T57 F63 L64 | V56-N60 HydrophobicContact CG1-CB 3.71Å; T57-N60 PolarHBondContact O-N 3.34Å; T57-N60 VanDerWaalsContact OG1-CB 3.32Å; T57-N60 WeakPolarHBondContact OG1-CB 3.43Å; T57-N60 PolarHBondContact OG1-N 2.93Å; T57-N60 PolarHBondContact OG1-ND2 2.86Å; T57-N60 PolarHBondContact OG1-OD1 2.81Å; N60-F63 PolarHBondContact O-N 3.28Å; N60-L64 WeakPolarHBondContact O-CB 3.47Å; N60-L64 VanDerWaalsContact O-CG 3.24Å; N60-L64 WeakPolarHBondContact O-CG 3.43Å; N60-L64 PolarHBondContact O-N 2.86Å |
| 61 | K | 87.2 | Confident | 80.1 | Confident | 84 Ų | 84 | 100.4 Ų | 100.4 | 37% | 0.365 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.8 | -49.2 | 177.7 | -173.3 | 173.8 | -178 | 168.1 | 0 | 111.5 | D53 V56 T57 E59 F63 L64 E65 | D53-K61 WeakPolarHBondContact OD2-CE 3.39Å; D53-K61 IonicContact OD2-NZ 3.21Å; V56-K61 HydrophobicContact CG1-CB 3.94Å; T57-K61 PolarHBondContact O-N 3.44Å; E59-K61 PolarHBondContact O-N 3.29Å; K61-F63 VanDerWaalsContact C-N 3.3Å; K61-F63 PolarHBondContact O-N 2.9Å; K61-L64 PolarHBondContact O-N 2.79Å; K61-E65 VanDerWaalsContact CE-OE1 3.27Å; K61-E65 WeakPolarHBondContact CE-OE1 3.16Å; K61-E65 WeakPolarHBondContact O-CG 3.49Å; K61-E65 PolarHBondContact O-N 3.42Å |
| 62 | K | 88.5 | Confident | 80.2 | Confident | 144 Ų | 144 | 95.2 Ų | 95.2 | 63% | 0.626 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -60.4 | -42.2 | 175.7 | -71.6 | -178.5 | 179.6 | -178.8 | 0 | 111.5 | P58 E59 E65 Q66 | P58-K62 PolarHBondContact O-N 3.29Å; E59-K62 PolarHBondContact O-N 2.98Å; K62-E65 PolarHBondContact O-N 3.02Å; K62-Q66 WeakPolarHBondContact O-CG 3.32Å; K62-Q66 PolarHBondContact O-N 3.21Å |
| 63 | F | 90.2 | Very high | 80 | Confident | 118 Ų | 118 | 97.5 Ų | 97.5 | 52% | 0.518 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.1 | -47.1 | 176.3 | 172.8 | -101.5 | 0 | 0 | 0 | 112 | E59 N60 K61 E65 Q66 Q67 | E59-F63 PolarHBondContact O-N 3.47Å; N60-F63 PolarHBondContact O-N 3.28Å; K61-F63 VanDerWaalsContact C-N 3.3Å; K61-F63 PolarHBondContact O-N 2.9Å; F63-E65 VanDerWaalsContact C-N 3.35Å; F63-E65 PolarHBondContact O-N 3.17Å; F63-Q66 PolarHBondContact O-N 3.05Å; F63-Q67 HydrophobicContact CE1-CG 4.38Å; F63-Q67 HydrophobicContact CZ-CG 4.12Å; F63-Q67 PolarHBondContact O-N 3.05Å |
| 64 | L | 87 | Confident | 79.5 | Confident | 61 Ų | 61 | 99 Ų | 99 | 32% | 0.319 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.1 | -37.1 | 177.7 | -70.7 | 172.5 | 0 | 0 | 0 | 112.3 | V56 N60 K61 R68 | V56-L64 HydrophobicContact CG1-CD1 4.1Å; N60-L64 WeakPolarHBondContact O-CB 3.47Å; N60-L64 VanDerWaalsContact O-CG 3.24Å; N60-L64 WeakPolarHBondContact O-CG 3.43Å; N60-L64 PolarHBondContact O-N 2.86Å; K61-L64 PolarHBondContact O-N 2.79Å; L64-R68 WeakPolarHBondContact O-CD 3.38Å; L64-R68 WeakPolarHBondContact O-CG 3.07Å; L64-R68 PolarHBondContact O-N 3.09Å; L64-R68 VanDerWaalsContact O-N 3.1Å |
| 65 | E | 84.4 | Confident | 78.6 | Confident | 83 Ų | 83 | 94.9 Ų | 94.9 | 39% | 0.388 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.3 | -45.7 | 173.6 | -75.2 | 171.6 | -175.4 | 0 | 0 | 111.4 | K61 K62 F63 R68 L69 | K61-E65 VanDerWaalsContact CE-OE1 3.27Å; K61-E65 WeakPolarHBondContact CE-OE1 3.16Å; K61-E65 WeakPolarHBondContact O-CG 3.49Å; K61-E65 PolarHBondContact O-N 3.42Å; K62-E65 PolarHBondContact O-N 3.02Å; F63-E65 VanDerWaalsContact C-N 3.35Å; F63-E65 PolarHBondContact O-N 3.17Å; E65-R68 WeakPolarHBondContact O-CB 3.46Å; E65-R68 PolarHBondContact O-N 3.14Å; E65-L69 WeakPolarHBondContact O-CG 3.33Å; E65-L69 PolarHBondContact O-N 2.77Å; E65-L69 VanDerWaalsContact O-N 3.09Å |
| 66 | Q | 86 | Confident | 77.4 | Confident | 125 Ų | 125 | 97.7 Ų | 97.7 | 58% | 0.584 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.1 | -47.2 | 175.7 | -73.8 | 176.8 | -16.3 | 0 | 0 | 111.9 | K62 F63 R68 L69 D70 | K62-Q66 WeakPolarHBondContact O-CG 3.32Å; K62-Q66 PolarHBondContact O-N 3.21Å; F63-Q66 PolarHBondContact O-N 3.05Å; Q66-R68 PolarHBondContact O-N 3.15Å; Q66-R68 VanDerWaalsContact O-N 3.17Å; Q66-L69 PolarHBondContact O-N 2.8Å; Q66-D70 PolarHBondContact O-N 2.97Å |
| 67 | Q | 84.2 | Confident | 75.8 | Confident | 116 Ų | 116 | 97.4 Ų | 97.4 | 54% | 0.542 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.3 | -29.6 | 176.1 | -107.3 | -114.2 | -36 | 0 | 0 | 113.6 | F63 P71 | F63-Q67 HydrophobicContact CE1-CG 4.38Å; F63-Q67 HydrophobicContact CZ-CG 4.12Å; F63-Q67 PolarHBondContact O-N 3.05Å; Q67-P71 WeakPolarHBondContact O-CD 3.14Å |
| 68 | R | 78.3 | Confident | 73.8 | Confident | 73 Ų | 73 | 97.7 Ų | 97.7 | 28% | 0.275 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -76.7 | -34.5 | 174.8 | -69.8 | 165.8 | -159.2 | 154.9 | 6.3 | 112.2 | L64 E65 Q66 P71 | L64-R68 WeakPolarHBondContact O-CD 3.38Å; L64-R68 WeakPolarHBondContact O-CG 3.07Å; L64-R68 PolarHBondContact O-N 3.09Å; L64-R68 VanDerWaalsContact O-N 3.1Å; E65-R68 WeakPolarHBondContact O-CB 3.46Å; E65-R68 PolarHBondContact O-N 3.14Å; Q66-R68 PolarHBondContact O-N 3.15Å; Q66-R68 VanDerWaalsContact O-N 3.17Å; R68-P71 WeakPolarHBondContact O-CD 3.01Å; R68-P71 WeakPolarHBondContact O-CG 3.31Å |
| 69 | L | 77.2 | Confident | 72.1 | Confident | 106 Ų | 106 | 96.5 Ų | 96.5 | 56% | 0.555 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -76.2 | -31.6 | 178.7 | -68.3 | 175 | 0 | 0 | 0 | 112.3 | E65 Q66 L72 S73 | E65-L69 WeakPolarHBondContact O-CG 3.33Å; E65-L69 PolarHBondContact O-N 2.77Å; E65-L69 VanDerWaalsContact O-N 3.09Å; Q66-L69 PolarHBondContact O-N 2.8Å; L69-L72 HydrophobicContact CD2-CD1 4.23Å; L69-L72 CarbonylContact O-C 3.3Å; L69-L72 WeakPolarHBondContact O-CA 3.47Å; L69-L72 WeakPolarHBondContact O-CB 3.35Å; L69-L72 PolarHBondContact O-N 2.77Å; L69-S73 WeakPolarHBondContact O-CB 3.37Å; L69-S73 PolarHBondContact O-N 3.26Å |
| 70 | D | 76.7 | Confident | 70.3 | Confident | 95 Ų | 95 | 91.5 Ų | 91.5 | 51% | 0.508 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -51 | -51.7 | 178.8 | -82.9 | -5.3 | 0 | 0 | 0 | 114 | Q66 L72 S73 S74 | Q66-D70 PolarHBondContact O-N 2.97Å; D70-L72 VanDerWaalsContact C-N 3.25Å; D70-L72 PolarHBondContact O-N 3.21Å; D70-S73 PolarHBondContact O-N 3.45Å; D70-S74 WeakPolarHBondContact O-CB 3.36Å; D70-S74 PolarHBondContact O-N 3.38Å |
| 71 | P | 67.4 | Low | 68.7 | Low | 77 Ų | 77 | 94.4 Ų | 94.4 | 50% | 0.5 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.4 | -23.8 | 177.3 | 24.7 | -32.8 | 0 | 0 | 0 | 112.9 | Q67 R68 S75 | Q67-P71 WeakPolarHBondContact O-CD 3.14Å; R68-P71 WeakPolarHBondContact O-CD 3.01Å; R68-P71 WeakPolarHBondContact O-CG 3.31Å; P71-S75 VanDerWaalsContact O-CB 3.29Å; P71-S75 WeakPolarHBondContact O-CB 3.46Å; P71-S75 PolarHBondContact O-N 3.14Å |
| 72 | L | 64.5 | Low | 67.6 | Low | 66 Ų | 66 | 97.3 Ų | 97.3 | 35% | 0.346 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -75.4 | -36.5 | 173.8 | -66.9 | 165.7 | 0 | 0 | 0 | 111.5 | L69 D70 P195 | L69-L72 HydrophobicContact CD2-CD1 4.23Å; L69-L72 CarbonylContact O-C 3.3Å; L69-L72 WeakPolarHBondContact O-CA 3.47Å; L69-L72 WeakPolarHBondContact O-CB 3.35Å; L69-L72 PolarHBondContact O-N 2.77Å; D70-L72 VanDerWaalsContact C-N 3.25Å; D70-L72 PolarHBondContact O-N 3.21Å; L72-P195 HydrophobicContact CD2-CB 3.84Å; L72-P195 HydrophobicContact CD2-CG 3.72Å |
| 73 | S | 61.6 | Low | 66.8 | Low | 101 Ų | 101 | 93.9 Ų | 93.9 | 71% | 0.706 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -78.4 | -44.3 | 179.4 | 162.6 | 0 | 0 | 0 | 0 | 112.4 | L69 D70 S75 | L69-S73 WeakPolarHBondContact O-CB 3.37Å; L69-S73 PolarHBondContact O-N 3.26Å; D70-S73 PolarHBondContact O-N 3.45Å; S73-S75 PolarHBondContact O-N 3.23Å |
| 74 | S | 55.4 | Low | 66.2 | Low | 96 Ų | 96 | 94.1 Ų | 94.1 | 67% | 0.671 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -74.6 | -13.4 | -179.8 | -179 | 0 | 0 | 0 | 0 | 112.5 | D70 K76 | D70-S74 WeakPolarHBondContact O-CB 3.36Å; D70-S74 PolarHBondContact O-N 3.38Å; S74-K76 PolarHBondContact O-N 3.09Å |
| 75 | S | 49.9 | Very low | 65.8 | Low | 52 Ų | 52 | 97.4 Ų | 97.4 | 36% | 0.364 | 52% | 0.518 | S | S | . | . | trans | -73 | 74.3 | 175 | -147.6 | 0 | 0 | 0 | 0 | 110.1 | P71 S73 S77 | P71-S75 VanDerWaalsContact O-CB 3.29Å; P71-S75 WeakPolarHBondContact O-CB 3.46Å; P71-S75 PolarHBondContact O-N 3.14Å; S73-S75 PolarHBondContact O-N 3.23Å; S75-S77 PolarHBondContact O-N 3.43Å | ||
| 76 | K | 51.1 | Low | 65.7 | Low | 197 Ų | 197 | 98.7 Ų | 98.7 | 86% | 0.857 | 52% | 0.524 | S | S | * | . | -54.4 | 91.2 | 128.7 | -76.9 | -179.3 | 177.8 | -179.6 | 0 | 104.1 | S74 P78 | S74-K76 PolarHBondContact O-N 3.09Å; K76-P78 WeakPolarHBondContact O-CD 3.24Å | |||
| 77 | S | 48.1 | Very low | 65.8 | Low | 41 Ų | 41 | 95.4 Ų | 95.4 | 29% | 0.287 | 51% | 0.513 | S | S | . | . | trans | -41.8 | 115.8 | -179.5 | 50.2 | 0 | 0 | 0 | 0 | 106.4 | S75 I79 | S75-S77 PolarHBondContact O-N 3.43Å; S77-I79 VanDerWaalsContact C-N 3.31Å; S77-I79 PolarHBondContact O-N 3.37Å | ||
| 78 | P | 46.5 | Very low | 66.2 | Low | 73 Ų | 73 | 94.8 Ų | 94.8 | 47% | 0.474 | 52% | 0.519 | S | S | . | . | trans | -63.8 | 107.4 | -177.3 | 24.8 | -29.8 | 0 | 0 | 0 | 104.5 | K76 I80 | K76-P78 WeakPolarHBondContact O-CD 3.24Å; P78-I80 PolarHBondContact O-N 3.06Å | ||
| 79 | I | 50.1 | Low | 66.9 | Low | 76 Ų | 76 | 93 Ų | 93 | 39% | 0.39 | 51% | 0.512 | S | S | . | . | trans | -55.3 | 98.2 | 141.9 | -68.3 | 170.3 | 0 | 0 | 0 | 101.1 | S77 T81 Q83 | S77-I79 VanDerWaalsContact C-N 3.31Å; S77-I79 PolarHBondContact O-N 3.37Å; I79-T81 PolarHBondContact O-N 3.03Å; I79-Q83 HydrophobicContact CG2-CG 4.2Å | ||
| 80 | I | 51.2 | Low | 67.7 | Low | 52 Ų | 52 | 90.3 Ų | 90.3 | 27% | 0.267 | 50% | 0.5 | S | S | . | . | trans | -51.4 | 122.6 | 175.8 | -61.5 | 166.1 | 0 | 0 | 0 | 104 | P78 E82 K212 P213 | P78-I80 PolarHBondContact O-N 3.06Å; I80-E82 CarbonylContact O-C 3.52Å; I80-E82 VanDerWaalsContact O-C 3.3Å; I80-E82 PolarHBondContact O-N 3.23Å; I80-K212 HydrophobicContact CB-CD 4.02Å; I80-K212 HydrophobicContact CD1-CD 3.64Å; I80-K212 HydrophobicContact CD1-CG 3.9Å; I80-K212 HydrophobicContact CG1-CD 4.44Å; I80-K212 HydrophobicContact CG2-CD 4.08Å; I80-P213 WeakPolarHBondContact CD1-O 3.5Å | ||
| 81 | T | 56.4 | Low | 68.4 | Low | 147 Ų | 147 | 89.2 Ų | 89.2 | 90% | 0.902 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -48.7 | -24.6 | -170.3 | -49.1 | 0 | 0 | 0 | 0 | 112.3 | I79 | I79-T81 PolarHBondContact O-N 3.03Š|
| 82 | E | 64.6 | Low | 69.4 | Low | 144 Ų | 144 | 90.9 Ų | 90.9 | 67% | 0.673 | 50% | 0.495 | S | S | * | . | trans | -106.6 | 97 | 172.5 | -62.1 | 173 | 178.1 | 0 | 0 | 111.1 | I80 K212 | I80-E82 CarbonylContact O-C 3.52Å; I80-E82 VanDerWaalsContact O-C 3.3Å; I80-E82 PolarHBondContact O-N 3.23Å; E82-K212 VanDerWaalsContact O-CD 3.31Å; E82-K212 WeakPolarHBondContact O-CD 3.22Å; E82-K212 PolarHBondContact O-NZ 3.49Å | ||
| 83 | Q | 71.9 | Confident | 70.6 | Confident | 72 Ų | 72 | 91.8 Ų | 91.8 | 34% | 0.336 | 50% | 0.503 | S | S | . | . | P | Polyproline II helix | trans | -74.9 | 151.2 | 162 | -64.3 | -170.8 | -1 | 0 | 0 | 109.9 | I79 | I79-Q83 HydrophobicContact CG2-CG 4.2Š|
| 84 | W | 76.9 | Confident | 72.2 | Confident | 124 Ų | 124 | 87 Ų | 87 | 47% | 0.47 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 151.2 | 165.5 | -66.5 | -28.5 | 0 | 0 | 0 | 110 | Q86 Y132 A210 L211 | W84-Q86 PolarHBondContact O-N 3.39Å; W84-Q86 VanDerWaalsContact O-N 3.16Å; W84-Y132 HydrophobicContact CH2-CD1 4.27Å; W84-Y132 HydrophobicContact CZ3-CD1 4.42Å; W84-A210 HydrophobicContact CE3-CB 4.19Å; W84-A210 HydrophobicContact CZ3-CB 3.67Å; W84-L211 VanDerWaalsContact CZ3-C 3.46Å |
| 85 | T | 80.4 | Confident | 74 | Confident | 129 Ų | 129 | 82.8 Ų | 82.8 | 79% | 0.791 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -55.6 | 120.8 | 176.6 | 48.4 | 0 | 0 | 0 | 0 | 109.9 | V87 | T85-V87 PolarHBondContact O-N 3.37Š|
| 86 | Q | 82.3 | Confident | 76.1 | Confident | 110 Ų | 110 | 80.4 Ų | 80.4 | 51% | 0.514 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -72.2 | 125.5 | 179.7 | -63 | -178.7 | 0.3 | 0 | 0 | 109.6 | W84 | W84-Q86 PolarHBondContact O-N 3.39Å; W84-Q86 VanDerWaalsContact O-N 3.16Å |
| 87 | V | 88.2 | Confident | 78.2 | Confident | 57 Ų | 57 | 71.1 Ų | 71.1 | 35% | 0.345 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -96.7 | 136 | 175.1 | -177.2 | 0 | 0 | 0 | 0 | 108.1 | T85 D208 | T85-V87 PolarHBondContact O-N 3.37Å; V87-D208 HydrophobicContact CB-CB 4.07Å; V87-D208 HydrophobicContact CG1-CB 4.09Å; V87-D208 HydrophobicContact CG2-CB 4.38Å |
| 88 | P | 91.3 | Very high | 80.5 | Confident | 103 Ų | 103 | 69.1 Ų | 69.1 | 67% | 0.669 | 37% | 0.368 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 155.2 | 176.1 | 27 | -35.5 | 0 | 0 | 0 | 111.4 | T90 | P88-T90 PolarHBondContact O-N 2.76Š|
| 89 | W | 93.2 | Very high | 82.9 | Confident | 36 Ų | 36 | 65.7 Ų | 65.7 | 14% | 0.136 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -57.1 | 122.6 | 178.6 | 178.1 | -85 | 0 | 0 | 0 | 111.6 | T94 L334 N335 P338 P339 V341 | W89-T94 HydrophobicContact CD2-CG2 4.25Å; W89-T94 HydrophobicContact CE3-CG2 3.8Å; W89-T94 HydrophobicContact CH2-CG2 4.33Å; W89-T94 HydrophobicContact CZ3-CG2 3.83Å; W89-L334 HydrophobicContact CD2-CD2 4.5Å; W89-L334 HydrophobicContact CE3-CD2 4.39Å; W89-L334 HydrophobicContact CH2-CD2 3.09Å; W89-L334 HydrophobicContact CZ2-CD2 3.09Å; W89-L334 HydrophobicContact CZ3-CD2 3.76Å; W89-N335 PolarHBondContact NE1-OD1 3.4Å; W89-N335 VanDerWaalsContact NE1-OD1 3.15Å; W89-P338 HydrophobicContact CB-CB 3.6Å; W89-P338 HydrophobicContact CD2-CB 4.05Å; W89-P338 HydrophobicContact CG-CB 3.48Å; W89-P338 VanDerWaalsContact CG-CB 3.48Å; W89-P339 HydrophobicContact CE3-CG 4.02Å; W89-P339 HydrophobicContact CZ3-CG 3.81Å; W89-V341 HydrophobicContact CB-CG2 4.08Å; W89-V341 HydrophobicContact CD2-CG2 4.3Å; W89-V341 HydrophobicContact CE3-CG2 3.41Å; W89-V341 VanDerWaalsContact CE3-CG2 3.41Å; W89-V341 HydrophobicContact CZ3-CG2 4.19Å |
| 90 | T | 93.7 | Very high | 85.2 | Confident | 48 Ų | 48 | 62 Ų | 62 | 29% | 0.294 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -102.5 | 118 | 172.7 | 63.5 | 0 | 0 | 0 | 0 | 110.5 | P88 Y92 V93 T94 D208 | P88-T90 PolarHBondContact O-N 2.76Å; T90-Y92 PolarHBondContact O-N 3.33Å; T90-V93 PolarHBondContact O-N 3.11Å; T90-V93 WeakPolarHBondContact OG1-CB 3.29Å; T90-T94 WeakPolarHBondContact CA-OG1 3.42Å; T90-T94 PolarHBondContact N-OG1 2.81Å; T90-T94 WeakPolarHBondContact O-CB 3.33Å; T90-T94 PolarHBondContact O-N 2.99Å; T90-T94 PolarHBondContact O-OG1 2.91Å; T90-T94 VanDerWaalsContact O-OG1 3.11Å; T90-T94 PolarHBondContact OG1-N 3.24Å; T90-T94 PolarHBondContact OG1-OG1 2.99Å; T90-D208 PolarHBondContact OG1-OD2 3.41Å |
| 91 | P | 92 | Very high | 87.4 | Confident | 72 Ų | 72 | 59.6 Ų | 59.6 | 47% | 0.468 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 136.2 | -177.6 | -28.1 | 35.1 | 0 | 0 | 0 | 113.4 | V93 N335 | P91-V93 PolarHBondContact O-N 2.99Å; P91-N335 WeakPolarHBondContact CA-OD1 3.49Å; P91-N335 HydrophobicContact CB-CB 4.2Å |
| 92 | Y | 88.2 | Confident | 89.4 | Confident | 113 Ų | 113 | 53.4 Ų | 53.4 | 44% | 0.443 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | -9 | 177.9 | -51.3 | -77.6 | 0 | 0 | 0 | 117.4 | T90 R331 R332 N335 | T90-Y92 PolarHBondContact O-N 3.33Å; Y92-R331 PolarHBondContact O-NH2 2.77Å; Y92-R331 VanDerWaalsContact O-NH2 3.11Å; Y92-R332 HydrophobicContact CE1-CG 4.46Å; Y92-N335 WeakPolarHBondContact CD1-ND2 3.47Å; Y92-N335 VanDerWaalsContact CE1-ND2 3.29Å; Y92-N335 WeakPolarHBondContact CE1-ND2 3.43Å; Y92-N335 WeakPolarHBondContact CE2-ND2 3.31Å; Y92-N335 PolarHBondContact N-OD1 2.97Å |
| 93 | V | 90.4 | Very high | 91 | Very high | 84 Ų | 84 | 47.4 Ų | 47.4 | 51% | 0.509 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | -53.7 | 177.2 | 176.5 | 0 | 0 | 0 | 0 | 109.1 | T90 P91 Q95 | T90-V93 PolarHBondContact O-N 3.11Å; T90-V93 WeakPolarHBondContact OG1-CB 3.29Å; P91-V93 PolarHBondContact O-N 2.99Å; V93-Q95 PolarHBondContact O-N 3.09Å |
| 94 | T | 93.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | trans | -60.1 | 132.8 | 179.2 | -51 | 0 | 0 | 0 | 0 | 110.7 | W89 T90 S206 D208 A209 R331 V341 | W89-T94 HydrophobicContact CD2-CG2 4.25Å; W89-T94 HydrophobicContact CE3-CG2 3.8Å; W89-T94 HydrophobicContact CH2-CG2 4.33Å; W89-T94 HydrophobicContact CZ3-CG2 3.83Å; T90-T94 WeakPolarHBondContact CA-OG1 3.42Å; T90-T94 PolarHBondContact N-OG1 2.81Å; T90-T94 WeakPolarHBondContact O-CB 3.33Å; T90-T94 PolarHBondContact O-N 2.99Å; T90-T94 PolarHBondContact O-OG1 2.91Å; T90-T94 VanDerWaalsContact O-OG1 3.11Å; T90-T94 PolarHBondContact OG1-N 3.24Å; T90-T94 PolarHBondContact OG1-OG1 2.99Å; T94-S206 WeakPolarHBondContact CA-OG 3.43Å; T94-D208 VanDerWaalsContact CB-OD2 3.3Å; T94-D208 WeakPolarHBondContact CB-OD2 3.41Å; T94-D208 WeakPolarHBondContact CG2-OD2 3.26Å; T94-D208 PolarHBondContact OG1-OD2 3.4Å; T94-A209 HydrophobicContact CG2-CB 4.03Å; T94-R331 PolarHBondContact O-NH2 3.4Å; T94-V341 HydrophobicContact CG2-CG1 4.3Å; T94-V341 HydrophobicContact CG2-CG2 4.37Å | ||
| 95 | Q | 93.3 | Very high | 93.1 | Very high | 9 Ų | 9 | 41.6 Ų | 41.6 | 4% | 0.042 | 23% | 0.232 | C | C | . | . | trans | -142.7 | 105.5 | 172.9 | 179.5 | 66.8 | 61.6 | 0 | 0 | 106.2 | V93 L204 V205 S206 W326 | V93-Q95 PolarHBondContact O-N 3.09Å; Q95-L204 WeakPolarHBondContact CG-O 3.42Å; Q95-V205 CarbonylContact O-C 3.51Å; Q95-V205 VanDerWaalsContact O-CA 3.28Å; Q95-V205 WeakPolarHBondContact O-CA 3.17Å; Q95-V205 WeakPolarHBondContact O-CG1 3.49Å; Q95-S206 PolarHBondContact N-OG 3.11Å; Q95-S206 PolarHBondContact O-N 2.89Å; Q95-S206 PolarHBondContact O-OG 3.33Å; Q95-W326 VanDerWaalsContact OE1-NE1 3.15Å | ||
| 96 | R | 94.4 | Very high | 93.9 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.008 | 22% | 0.218 | C | C | . | . | trans | -78.2 | 169.8 | 177.1 | 62.5 | -176.9 | -176.5 | 160.6 | 0.2 | 112.3 | A209 H221 D226 D324 P339 P340 | R96-A209 HydrophobicContact CB-CB 4.19Å; R96-H221 PolarHBondContact NH1-O 2.64Å; R96-D226 IonicContact NH2-OD2 2.67Å; R96-D324 WeakPolarHBondContact CD-OD2 3.36Å; R96-D324 WeakPolarHBondContact CG-OD2 3.35Å; R96-D324 IonicContact CZ-OD1 3.79Å; R96-D324 IonicContact CZ-OD2 3.62Å; R96-D324 IonicContact NE-OD1 2.98Å; R96-D324 PolarHBondContact NE-OD1 3.39Å; R96-D324 IonicContact NE-OD2 2.71Å; R96-D324 PolarHBondContact NE-OD2 3.42Å; R96-D324 IonicContact NH2-OD1 3.46Å; R96-D324 PolarHBondContact NH2-OD1 3.41Å; R96-D324 IonicContact NH2-OD2 3.83Å; R96-P339 VanDerWaalsContact CZ-CB 3.48Å; R96-P339 VanDerWaalsContact NH1-CB 3.33Å; R96-P340 PolarHBondContact NH1-O 3.3Å | ||
| 97 | C | 95.2 | Very high | 94.5 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.007 | 22% | 0.215 | C | C | . | . | trans | -64.4 | 154.1 | 176.3 | -164.4 | 0 | 0 | 0 | 0 | 112 | Q169 V171 V205 L211 H221 | C97-Q169 HydrophobicContact CB-CG 4.5Å; C97-V171 WeakPolarHBondContact SG-CG2 3.42Å; C97-V205 HydrophobicContact CB-CG2 3.93Å; C97-L211 HydrophobicContact CB-CD1 3.78Å; C97-H221 PolarHBondContact O-NE2 3.38Å | ||
| 98 | G | 96.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -96.9 | -178.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 112 | F203 L322 | G98-F203 WeakPolarHBondContact O-CE2 3.18Å; G98-L322 CarbonylContact C-O 3.55Å; G98-L322 WeakPolarHBondContact CA-O 3.41Å | ||
| 99 | L | 97.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 153.3 | 176.8 | -59 | -174.2 | 0 | 0 | 0 | 111.1 | I124 F203 L217 H221 F222 L322 | L99-I124 HydrophobicContact CD1-CD1 3.38Å; L99-I124 HydrophobicContact CD1-CG1 4.19Å; L99-I124 HydrophobicContact CD1-CG2 4.22Å; L99-F203 WeakPolarHBondContact O-CZ 3.38Å; L99-L217 HydrophobicContact CD2-CB 3.52Å; L99-L217 HydrophobicContact CD2-CD1 3.79Å; L99-L217 HydrophobicContact CD2-CG 4.17Å; L99-H221 HydrophobicContact CD1-CB 4.07Å; L99-H221 HydrophobicContact CD2-CB 4.46Å; L99-F222 HydrophobicContact CB-CE2 3.99Å; L99-F222 HydrophobicContact CD1-CD2 3.8Å; L99-F222 HydrophobicContact CD1-CE2 3.54Å; L99-F222 HydrophobicContact CG-CD2 4.34Å; L99-F222 HydrophobicContact CG-CE2 3.6Å; L99-F222 HydrophobicContact CG-CZ 4.19Å; L99-L322 PolarHBondContact N-O 3.22Å; L99-L322 PolarHBondContact O-N 2.92Å |
| 100 | I | 97.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 130.9 | 167.2 | -56.9 | 172.3 | 0 | 0 | 0 | 106.5 | P125 N127 V171 A173 K199 F203 Y319 C320 L321 | I100-P125 WeakPolarHBondContact O-CD 3.5Å; I100-N127 PolarHBondContact N-ND2 3.11Å; I100-N127 PolarHBondContact O-ND2 3.48Å; I100-N127 PolarHBondContact O-OD1 3.32Å; I100-V171 HydrophobicContact CD1-CB 4.4Å; I100-V171 HydrophobicContact CD1-CG1 4.17Å; I100-V171 WeakPolarHBondContact CD1-O 3.26Å; I100-V171 HydrophobicContact CG1-CG1 4.35Å; I100-A173 HydrophobicContact CB-CB 3.6Å; I100-A173 HydrophobicContact CD1-CB 3.89Å; I100-A173 HydrophobicContact CG1-CB 4.31Å; I100-A173 HydrophobicContact CG2-CB 3.55Å; I100-K199 HydrophobicContact CG2-CG 4.32Å; I100-F203 HydrophobicContact CG1-CE2 4.16Å; I100-F203 HydrophobicContact CG1-CZ 4.27Å; I100-Y319 HydrophobicContact CG2-CD1 4.48Å; I100-C320 WeakPolarHBondContact CA-O 3.27Å; I100-L321 HydrophobicContact CG1-CD2 3.9Å |
| 101 | A | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 163.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | F122 Q123 I124 Y319 C320 L322 | A101-F122 HydrophobicContact CB-CB 4Å; A101-F122 HydrophobicContact CB-CD1 4.15Å; A101-F122 HydrophobicContact CB-CG 4.39Å; A101-Q123 CarbonylContact C-O 3.51Å; A101-Q123 VanDerWaalsContact CA-O 3.27Å; A101-Q123 WeakPolarHBondContact CA-O 3.4Å; A101-Q123 WeakPolarHBondContact CB-O 3.43Å; A101-I124 HydrophobicContact CB-CG1 4.35Å; A101-Y319 CarbonylContact O-C 3.57Å; A101-Y319 WeakPolarHBondContact O-CA 2.99Å; A101-C320 PolarHBondContact N-O 2.91Å; A101-C320 PolarHBondContact O-N 3.47Å; A101-L322 HydrophobicContact CB-CD1 3.7Å; A101-L322 HydrophobicContact CB-CG 4.05Å |
| 102 | I | 97.7 | Very high | 95.6 | Very high | 17 Ų | 17 | 41.2 Ų | 41.2 | 9% | 0.087 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 132.8 | 164.9 | -81.5 | -168.3 | 0 | 0 | 0 | 109.8 | L104 F122 Q123 F174 Y319 | I102-L104 HydrophobicContact CG2-CD2 4.35Å; I102-L104 PolarHBondContact O-N 2.77Å; I102-F122 CarbonylContact O-C 3.51Å; I102-F122 VanDerWaalsContact O-CA 3.29Å; I102-F122 WeakPolarHBondContact O-CA 3.43Å; I102-Q123 PolarHBondContact N-O 3.49Å; I102-Q123 PolarHBondContact O-N 3.22Å; I102-F174 HydrophobicContact CB-CE2 4.44Å; I102-F174 HydrophobicContact CB-CZ 4.29Å; I102-F174 HydrophobicContact CD1-CD2 4.28Å; I102-F174 HydrophobicContact CD1-CE1 3.87Å; I102-F174 HydrophobicContact CD1-CE2 3.22Å; I102-F174 HydrophobicContact CD1-CZ 2.99Å; I102-F174 HydrophobicContact CG1-CE2 3.45Å; I102-F174 VanDerWaalsContact CG1-CE2 3.45Å; I102-F174 HydrophobicContact CG1-CZ 3.58Å; I102-Y319 HydrophobicContact CD1-CD1 4.28Å; I102-Y319 HydrophobicContact CD1-CE1 3.94Å; I102-Y319 HydrophobicContact CG1-CD1 3.89Å; I102-Y319 HydrophobicContact CG1-CE1 4.05Å |
| 103 | K | 97.8 | Very high | 95.8 | Very high | 19 Ų | 19 | 40.8 Ų | 40.8 | 8% | 0.083 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 113.1 | 169.2 | -177.2 | 176.1 | 176.4 | 178 | 0 | 110.1 | F122 T312 G314 H317 S318 | K103-F122 HydrophobicContact CB-CD1 4.24Å; K103-F122 HydrophobicContact CB-CE1 3.93Å; K103-F122 HydrophobicContact CG-CE1 4.3Å; K103-T312 WeakPolarHBondContact CD-OG1 3.5Å; K103-T312 VanDerWaalsContact CE-OG1 3.26Å; K103-T312 WeakPolarHBondContact CE-OG1 3.12Å; K103-T312 PolarHBondContact NZ-O 3.19Å; K103-T312 PolarHBondContact NZ-OG1 3.14Å; K103-G314 PolarHBondContact NZ-O 3.45Å; K103-H317 WeakPolarHBondContact O-CA 3.46Å; K103-H317 PolarHBondContact O-N 3.1Å; K103-S318 PolarHBondContact N-O 2.88Å; K103-S318 VanDerWaalsContact N-O 3.09Å |
| 104 | L | 97.4 | Very high | 95.9 | Very high | 58 Ų | 58 | 38.7 Ų | 38.7 | 30% | 0.304 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | -37.9 | 176.9 | -72.2 | -178.3 | 0 | 0 | 0 | 113 | I102 I121 Q123 L305 V316 | I102-L104 HydrophobicContact CG2-CD2 4.35Å; I102-L104 PolarHBondContact O-N 2.77Å; L104-I121 HydrophobicContact CB-CB 4.26Å; L104-I121 HydrophobicContact CB-CG2 4.3Å; L104-I121 HydrophobicContact CD1-CG2 4.01Å; L104-I121 PolarHBondContact N-O 2.67Å; L104-Q123 HydrophobicContact CD1-CB 3.88Å; L104-Q123 HydrophobicContact CD2-CB 4.31Å; L104-Q123 HydrophobicContact CG-CB 3.92Å; L104-L305 HydrophobicContact CD1-CD2 3.72Å; L104-V316 WeakPolarHBondContact O-CG1 3.43Å |
| 105 | G | 97 | Very high | 96 | Very high | 16 Ų | 16 | 45.9 Ų | 45.9 | 17% | 0.165 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 166 | -163 | -174 | 0 | 0 | 0 | 0 | 0 | 113.2 | T120 I121 | G105-T120 VanDerWaalsContact O-CA 3.29Å; G105-T120 WeakPolarHBondContact O-CA 3.36Å; G105-I121 PolarHBondContact O-N 3.43Å |
| 106 | V | 96.9 | Very high | 96.2 | Very high | 82 Ų | 82 | 51.5 Ų | 51.5 | 50% | 0.497 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 133.2 | 173.7 | -175.7 | 0 | 0 | 0 | 0 | 107.8 | D118 C119 T120 | V106-D118 HydrophobicContact CG1-CB 3.96Å; V106-C119 CarbonylContact C-O 3.52Å; V106-C119 WeakPolarHBondContact CA-O 3.2Å; V106-T120 HydrophobicContact CG2-CG2 3.8Å |
| 107 | Y | 95.3 | Very high | 96.2 | Very high | 117 Ų | 117 | 53.6 Ų | 53.6 | 46% | 0.459 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 132.5 | 180 | -179.8 | -99.7 | 0 | 0 | 0 | 109.5 | L109 C119 I121 Y307 | Y107-L109 HydrophobicContact CD1-CD2 3.87Å; Y107-L109 HydrophobicContact CD1-CG 4.09Å; Y107-L109 HydrophobicContact CE1-CD2 3.63Å; Y107-L109 HydrophobicContact CE1-CG 4.31Å; Y107-C119 PolarHBondContact N-O 2.88Å; Y107-C119 WeakPolarHBondContact O-CA 3.43Å; Y107-C119 WeakPolarHBondContact O-CB 3.38Å; Y107-C119 PolarHBondContact O-N 3.18Å; Y107-I121 HydrophobicContact CG-CD1 4.3Å; Y107-Y307 HydrophobicContact CD1-CE1 4.34Å |
| 108 | P | 96.4 | Very high | 96.3 | Very high | 53 Ų | 53 | 57.3 Ų | 57.3 | 34% | 0.344 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 132.5 | 177.8 | 32.1 | -34.3 | 0 | 0 | 0 | 110.9 | K116 | P108-K116 HydrophobicContact CB-CG 4.35Å |
| 109 | L | 95.9 | Very high | 96.4 | Very high | 11 Ų | 11 | 57.3 Ų | 57.3 | 6% | 0.058 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 158.9 | 168 | -69.1 | 173.3 | 0 | 0 | 0 | 109.7 | Y107 M117 C119 Y307 I379 | Y107-L109 HydrophobicContact CD1-CD2 3.87Å; Y107-L109 HydrophobicContact CD1-CG 4.09Å; Y107-L109 HydrophobicContact CE1-CD2 3.63Å; Y107-L109 HydrophobicContact CE1-CG 4.31Å; L109-M117 PolarHBondContact N-O 3Å; L109-M117 PolarHBondContact O-N 3.12Å; L109-C119 HydrophobicContact CD1-CB 4.04Å; L109-C119 HydrophobicContact CG-CB 4.44Å; L109-Y307 HydrophobicContact CD1-CD1 4.13Å; L109-I379 HydrophobicContact CD1-CD1 3.95Å |
| 110 | W | 96.7 | Very high | 96.4 | Very high | 155 Ų | 155 | 57.3 Ų | 57.3 | 59% | 0.587 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112 | 138.2 | 175.2 | -62.8 | -56.8 | 0 | 0 | 0 | 110.8 | H380 | W110-H380 PolarHBondContact O-N 3.26Å |
| 111 | T | 96.5 | Very high | 96.4 | Very high | 18 Ų | 18 | 58.4 Ų | 58.4 | 11% | 0.11 | 30% | 0.295 | C | S | . | . | B | Isolated β-bridge | trans | -77.5 | 160 | 167.4 | 60.3 | 0 | 0 | 0 | 0 | 110 | T113 G114 K115 S378 | T111-T113 PolarHBondContact O-N 2.89Å; T111-T113 VanDerWaalsContact O-N 3.09Å; T111-T113 PolarHBondContact OG1-OG1 2.78Å; T111-G114 PolarHBondContact O-N 2.99Å; T111-K115 PolarHBondContact N-O 3.49Å; T111-K115 WeakPolarHBondContact OG1-CB 3.48Å; T111-K115 PolarHBondContact OG1-N 3.4Å; T111-K115 VanDerWaalsContact OG1-N 3.09Å; T111-K115 PolarHBondContact OG1-O 2.73Å; T111-S378 CarbonylContact C-O 3.57Å; T111-S378 WeakPolarHBondContact CA-O 3.33Å; T111-S378 WeakPolarHBondContact CB-O 3.09Å |
| 112 | K | 94.7 | Very high | 96.4 | Very high | 111 Ų | 111 | 58.4 Ų | 58.4 | 48% | 0.483 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -21.4 | 172.2 | -67.7 | -177.7 | 178 | 166.7 | 0 | 113.3 | G114 E377 S378 I379 H380 | K112-G114 PolarHBondContact O-N 2.87Å; K112-E377 VanDerWaalsContact CD-O 3.28Å; K112-E377 WeakPolarHBondContact CD-O 3.28Å; K112-E377 WeakPolarHBondContact CE-O 3.31Å; K112-E377 PolarHBondContact NZ-O 3.41Å; K112-S378 PolarHBondContact N-O 2.88Å; K112-I379 VanDerWaalsContact CE-O 3.31Å; K112-I379 WeakPolarHBondContact CE-O 3.35Å; K112-H380 HydrophobicContact CG-CB 4.41Å |
| 113 | T | 93.3 | Very high | 96.4 | Very high | 104 Ų | 104 | 61 Ų | 61 | 64% | 0.638 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | 6.1 | 173.7 | 69.4 | 0 | 0 | 0 | 0 | 113.6 | T111 K115 Y389 | T111-T113 PolarHBondContact O-N 2.89Å; T111-T113 VanDerWaalsContact O-N 3.09Å; T111-T113 PolarHBondContact OG1-OG1 2.78Å; T113-K115 VanDerWaalsContact C-N 3.3Å; T113-K115 PolarHBondContact O-N 2.98Å; T113-Y389 PolarHBondContact O-OH 2.92Å; T113-Y389 VanDerWaalsContact O-OH 3.12Å |
| 114 | G | 93 | Very high | 96.4 | Very high | 39 Ų | 39 | 60.8 Ų | 60.8 | 40% | 0.402 | 31% | 0.306 | S | S | . | . | S | Bend | trans | 75.2 | 8.4 | -178 | 0 | 0 | 0 | 0 | 0 | 115.7 | T111 K112 Y389 | T111-G114 PolarHBondContact O-N 2.99Å; K112-G114 PolarHBondContact O-N 2.87Å; G114-Y389 VanDerWaalsContact CA-OH 3.28Å; G114-Y389 WeakPolarHBondContact CA-OH 3.3Å; G114-Y389 PolarHBondContact N-OH 2.94Å |
| 115 | K | 95.6 | Very high | 96.2 | Very high | 152 Ų | 152 | 58.8 Ų | 58.8 | 66% | 0.661 | 30% | 0.297 | S | S | * | . | trans | -82.4 | 129.6 | 178.8 | -172.5 | 178.7 | 177.7 | 177.1 | 0 | 110 | T111 T113 | T111-K115 PolarHBondContact N-O 3.49Å; T111-K115 WeakPolarHBondContact OG1-CB 3.48Å; T111-K115 PolarHBondContact OG1-N 3.4Å; T111-K115 VanDerWaalsContact OG1-N 3.09Å; T111-K115 PolarHBondContact OG1-O 2.73Å; T113-K115 VanDerWaalsContact C-N 3.3Å; T113-K115 PolarHBondContact O-N 2.98Å | ||
| 116 | K | 96 | Very high | 95.9 | Very high | 126 Ų | 126 | 61.4 Ų | 61.4 | 55% | 0.548 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 133.2 | 170.4 | -175.9 | -177.3 | 171.5 | -170.7 | 0 | 111 | P108 D118 | P108-K116 HydrophobicContact CB-CG 4.35Å; K116-D118 WeakPolarHBondContact CE-OD1 3.12Å; K116-D118 IonicContact NZ-OD1 3.63Å |
| 117 | M | 95.9 | Very high | 95.8 | Very high | 46 Ų | 46 | 57.5 Ų | 57.5 | 23% | 0.227 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 107.5 | 179.6 | -162 | 172.6 | 72.9 | 0 | 0 | 110.1 | L109 C119 V297 P309 | L109-M117 PolarHBondContact N-O 3Å; L109-M117 PolarHBondContact O-N 3.12Å; M117-C119 PolarHBondContact O-N 3.22Å; M117-C119 PolarHBondContact O-SG 3.02Å; M117-C119 VanDerWaalsContact O-SG 3.38Å; M117-V297 HydrophobicContact CE-CB 4.27Å; M117-V297 HydrophobicContact CE-CG1 3.8Å; M117-V297 HydrophobicContact CE-CG2 3.98Å; M117-P309 HydrophobicContact CE-CB 4.06Å; M117-P309 HydrophobicContact CG-CB 4.16Å; M117-P309 HydrophobicContact SD-CB 4.01Å |
| 118 | D | 97.1 | Very high | 95.7 | Very high | 80 Ų | 80 | 52.4 Ų | 52.4 | 43% | 0.428 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 123.7 | 177.3 | -65.1 | -34.4 | 0 | 0 | 0 | 110.2 | V106 K116 G310 | V106-D118 HydrophobicContact CG1-CB 3.96Å; K116-D118 WeakPolarHBondContact CE-OD1 3.12Å; K116-D118 IonicContact NZ-OD1 3.63Å; D118-G310 PolarHBondContact O-N 3.38Å |
| 119 | C | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 127.9 | -175.2 | -63.5 | 0 | 0 | 0 | 0 | 111.2 | V106 Y107 L109 M117 V308 | V106-C119 CarbonylContact C-O 3.52Å; V106-C119 WeakPolarHBondContact CA-O 3.2Å; Y107-C119 PolarHBondContact N-O 2.88Å; Y107-C119 WeakPolarHBondContact O-CA 3.43Å; Y107-C119 WeakPolarHBondContact O-CB 3.38Å; Y107-C119 PolarHBondContact O-N 3.18Å; L109-C119 HydrophobicContact CD1-CB 4.04Å; L109-C119 HydrophobicContact CG-CB 4.44Å; M117-C119 PolarHBondContact O-N 3.22Å; M117-C119 PolarHBondContact O-SG 3.02Å; M117-C119 VanDerWaalsContact O-SG 3.38Å; C119-V308 CarbonylContact C-O 3.4Å; C119-V308 VanDerWaalsContact CA-O 3.29Å; C119-V308 WeakPolarHBondContact CA-O 3.26Å |
| 120 | T | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 134.6 | 167.5 | 48.4 | 0 | 0 | 0 | 0 | 111.7 | G105 V106 V308 G310 T312 | G105-T120 VanDerWaalsContact O-CA 3.29Å; G105-T120 WeakPolarHBondContact O-CA 3.36Å; V106-T120 HydrophobicContact CG2-CG2 3.8Å; T120-V308 PolarHBondContact N-O 2.67Å; T120-V308 PolarHBondContact O-N 2.86Å; T120-V308 PolarHBondContact OG1-O 2.83Å; T120-G310 WeakPolarHBondContact CG2-O 3.03Å; T120-T312 HydrophobicContact CG2-CG2 3.97Å; T120-T312 WeakPolarHBondContact CG2-OG1 3.39Å; T120-T312 VanDerWaalsContact OG1-CG2 3.24Å; T120-T312 WeakPolarHBondContact OG1-CG2 3.49Å |
| 121 | I | 98 | Very high | 95.3 | Very high | 23 Ų | 23 | 47.5 Ų | 47.5 | 12% | 0.118 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 129.8 | 176.1 | -52 | 179 | 0 | 0 | 0 | 109 | L104 G105 Y107 L305 Y307 | L104-I121 HydrophobicContact CB-CB 4.26Å; L104-I121 HydrophobicContact CB-CG2 4.3Å; L104-I121 HydrophobicContact CD1-CG2 4.01Å; L104-I121 PolarHBondContact N-O 2.67Å; G105-I121 PolarHBondContact O-N 3.43Å; Y107-I121 HydrophobicContact CG-CD1 4.3Å; I121-L305 HydrophobicContact CG2-CB 4.34Å; I121-L305 HydrophobicContact CG2-CD1 4.45Å; I121-L305 HydrophobicContact CG2-CD2 4.16Å; I121-Y307 HydrophobicContact CD1-CD1 4.22Å; I121-Y307 HydrophobicContact CD1-CE1 3.51Å; I121-Y307 HydrophobicContact CG1-CD1 3.72Å; I121-Y307 HydrophobicContact CG1-CE1 3.52Å; I121-Y307 HydrophobicContact CG2-CE1 4.42Å |
| 122 | F | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 129.1 | 171.1 | -69.7 | -69.8 | 0 | 0 | 0 | 110.2 | A101 I102 K103 I230 L305 I306 V308 T312 C320 L322 | A101-F122 HydrophobicContact CB-CB 4Å; A101-F122 HydrophobicContact CB-CD1 4.15Å; A101-F122 HydrophobicContact CB-CG 4.39Å; I102-F122 CarbonylContact O-C 3.51Å; I102-F122 VanDerWaalsContact O-CA 3.29Å; I102-F122 WeakPolarHBondContact O-CA 3.43Å; K103-F122 HydrophobicContact CB-CD1 4.24Å; K103-F122 HydrophobicContact CB-CE1 3.93Å; K103-F122 HydrophobicContact CG-CE1 4.3Å; F122-I230 HydrophobicContact CE1-CG2 4.46Å; F122-I230 HydrophobicContact CE2-CD1 3.6Å; F122-I230 HydrophobicContact CZ-CD1 3.94Å; F122-I230 HydrophobicContact CZ-CG2 3.85Å; F122-L305 CarbonylContact O-C 3.56Å; F122-L305 VanDerWaalsContact O-CA 3.29Å; F122-L305 WeakPolarHBondContact O-CA 3.29Å; F122-I306 HydrophobicContact CB-CB 4.34Å; F122-I306 PolarHBondContact N-O 2.82Å; F122-I306 PolarHBondContact O-N 2.86Å; F122-V308 HydrophobicContact CD2-CB 4.47Å; F122-V308 HydrophobicContact CD2-CG2 4.1Å; F122-V308 HydrophobicContact CE2-CB 4.21Å; F122-V308 HydrophobicContact CE2-CG2 4.17Å; F122-T312 HydrophobicContact CE2-CG2 3.84Å; F122-T312 HydrophobicContact CZ-CG2 3.54Å; F122-C320 HydrophobicContact CD1-CB 4.24Å; F122-C320 HydrophobicContact CE1-CB 3.74Å; F122-L322 HydrophobicContact CB-CD1 4.39Å; F122-L322 HydrophobicContact CD2-CD2 4.43Å; F122-L322 HydrophobicContact CE2-CD2 4.42Å; F122-L322 HydrophobicContact CG-CD1 4.46Å |
| 123 | Q | 97.6 | Very high | 95.1 | Very high | 71 Ų | 71 | 43.6 Ų | 43.6 | 33% | 0.332 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 129.8 | 166.9 | -172.5 | 178.2 | 26.2 | 0 | 0 | 109.3 | A101 I102 L104 P125 G304 L305 | A101-Q123 CarbonylContact C-O 3.51Å; A101-Q123 VanDerWaalsContact CA-O 3.27Å; A101-Q123 WeakPolarHBondContact CA-O 3.4Å; A101-Q123 WeakPolarHBondContact CB-O 3.43Å; I102-Q123 PolarHBondContact N-O 3.49Å; I102-Q123 PolarHBondContact O-N 3.22Å; L104-Q123 HydrophobicContact CD1-CB 3.88Å; L104-Q123 HydrophobicContact CD2-CB 4.31Å; L104-Q123 HydrophobicContact CG-CB 3.92Å; Q123-P125 VanDerWaalsContact O-CD 3.26Å; Q123-P125 WeakPolarHBondContact O-CD 3.39Å; Q123-G304 CarbonylContact C-O 3.56Å; Q123-L305 HydrophobicContact CB-CD2 3.85Å; Q123-L305 HydrophobicContact CG-CD2 3.99Å |
| 124 | I | 96.5 | Very high | 95.2 | Very high | 14 Ų | 14 | 40.3 Ų | 40.3 | 7% | 0.072 | 20% | 0.199 | C | C | . | . | trans | -91.8 | 104.3 | 170.8 | -68.6 | 170.4 | 0 | 0 | 0 | 105.9 | L99 A101 N127 V219 G304 I306 | L99-I124 HydrophobicContact CD1-CD1 3.38Å; L99-I124 HydrophobicContact CD1-CG1 4.19Å; L99-I124 HydrophobicContact CD1-CG2 4.22Å; A101-I124 HydrophobicContact CB-CG1 4.35Å; I124-N127 WeakPolarHBondContact CG2-ND2 3.5Å; I124-V219 HydrophobicContact CB-CG2 4.01Å; I124-V219 HydrophobicContact CD1-CB 4.03Å; I124-V219 HydrophobicContact CD1-CG1 3.98Å; I124-V219 HydrophobicContact CD1-CG2 3.79Å; I124-V219 HydrophobicContact CG1-CG2 4.38Å; I124-G304 PolarHBondContact N-O 2.85Å; I124-I306 HydrophobicContact CD1-CD1 3.32Å; I124-I306 HydrophobicContact CD1-CG1 3.76Å; I124-I306 HydrophobicContact CG1-CD1 4.38Å | ||
| 125 | P | 93.4 | Very high | 95.1 | Very high | 16 Ų | 16 | 39.1 Ų | 39.1 | 10% | 0.104 | 18% | 0.184 | C | C | . | . | trans | -69.3 | -176.9 | 172.5 | 38.9 | -43.9 | 0 | 0 | 0 | 109.7 | I100 Q123 N127 A173 F174 | I100-P125 WeakPolarHBondContact O-CD 3.5Å; Q123-P125 VanDerWaalsContact O-CD 3.26Å; Q123-P125 WeakPolarHBondContact O-CD 3.39Å; P125-N127 PolarHBondContact O-N 2.84Å; P125-A173 HydrophobicContact CG-CB 3.95Å; P125-F174 HydrophobicContact CB-CD1 4.22Å; P125-F174 HydrophobicContact CB-CD2 3.7Å; P125-F174 HydrophobicContact CB-CE1 3.93Å; P125-F174 HydrophobicContact CB-CE2 3.35Å; P125-F174 HydrophobicContact CB-CG 4.08Å; P125-F174 HydrophobicContact CB-CZ 3.42Å; P125-F174 VanDerWaalsContact CB-CZ 3.42Å; P125-F174 HydrophobicContact CG-CD2 3.62Å; P125-F174 HydrophobicContact CG-CE2 3.28Å; P125-F174 HydrophobicContact CG-CG 4.44Å; P125-F174 HydrophobicContact CG-CZ 3.88Å | ||
| 126 | D | 90.9 | Very high | 94.8 | Very high | 71 Ų | 71 | 35.5 Ų | 35.5 | 38% | 0.38 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -56.2 | 100.2 | 168.2 | -176.7 | -4.6 | 0 | 0 | 0 | 111.8 | H128 A173 F174 S175 K197 | D126-H128 IonicContact OD1-CE1 2.66Å; D126-H128 PolarHBondContact OD1-CE1 2.78Å; D126-H128 IonicContact OD1-ND1 3.72Å; D126-H128 PolarHBondContact OD1-ND1 3.01Å; D126-H128 IonicContact OD2-CE1 2.75Å; D126-A173 WeakPolarHBondContact O-CA 3.36Å; D126-F174 PolarHBondContact O-N 2.92Å; D126-S175 PolarHBondContact OD2-OG 2.85Å; D126-K197 IonicContact OD1-NZ 2.73Å; D126-K197 PolarHBondContact OD1-NZ 3.44Å; D126-K197 VanDerWaalsContact OD1-NZ 3.12Å; D126-K197 IonicContact OD2-NZ 3.12Å; D126-K197 PolarHBondContact OD2-NZ 2.77Å |
| 127 | N | 94.8 | Very high | 94.5 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 135.1 | 179.6 | -79.7 | -21 | 0 | 0 | 0 | 110.8 | I100 I124 P125 G172 A173 L217 | I100-N127 PolarHBondContact N-ND2 3.11Å; I100-N127 PolarHBondContact O-ND2 3.48Å; I100-N127 PolarHBondContact O-OD1 3.32Å; I124-N127 WeakPolarHBondContact CG2-ND2 3.5Å; P125-N127 PolarHBondContact O-N 2.84Å; N127-G172 CarbonylContact C-O 3.53Å; N127-G172 VanDerWaalsContact CA-O 3.26Å; N127-G172 WeakPolarHBondContact CA-O 3.36Å; N127-A173 WeakPolarHBondContact OD1-CA 3.3Å; N127-A173 WeakPolarHBondContact OD1-CB 3.44Å; N127-L217 HydrophobicContact CB-CB 3.86Å; N127-L217 PolarHBondContact O-N 2.78Å |
| 128 | H | 93.2 | Very high | 93.8 | Very high | 10 Ų | 10 | 30.9 Ų | 30.9 | 5% | 0.046 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 145.9 | 177.4 | -75.5 | 77.3 | 0 | 0 | 0 | 112.4 | D126 V171 G172 I194 K197 G214 T215 | D126-H128 IonicContact OD1-CE1 2.66Å; D126-H128 PolarHBondContact OD1-CE1 2.78Å; D126-H128 IonicContact OD1-ND1 3.72Å; D126-H128 PolarHBondContact OD1-ND1 3.01Å; D126-H128 IonicContact OD2-CE1 2.75Å; H128-V171 WeakPolarHBondContact O-CA 3.43Å; H128-G172 PolarHBondContact N-O 3.46Å; H128-G172 PolarHBondContact O-N 2.92Å; H128-I194 HydrophobicContact CB-CD1 3.48Å; H128-I194 VanDerWaalsContact CB-CD1 3.48Å; H128-I194 HydrophobicContact CB-CG1 4.36Å; H128-I194 HydrophobicContact CB-CG2 4.25Å; H128-K197 PolarHBondContact ND1-NZ 3.36Å; H128-G214 PolarHBondContact CD2-O 3.08Å; H128-T215 WeakPolarHBondContact CA-O 3.4Å |
| 129 | A | 94 | Very high | 92.8 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 123.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110 | L211 K212 P213 G214 T215 | A129-L211 HydrophobicContact CB-CB 3.87Å; A129-L211 HydrophobicContact CB-CD1 4.4Å; A129-K212 WeakPolarHBondContact CB-O 3.41Å; A129-P213 CarbonylContact O-C 3.58Å; A129-P213 WeakPolarHBondContact O-CA 3.46Å; A129-G214 PolarHBondContact O-N 2.93Å; A129-T215 PolarHBondContact N-O 2.93Å |
| 130 | I | 93.5 | Very high | 91.8 | Very high | 5 Ų | 5 | 36.5 Ų | 36.5 | 3% | 0.026 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | -47.5 | -177.3 | -62.4 | 160.4 | 0 | 0 | 0 | 111.1 | L170 G172 L188 F189 I200 P213 | I130-L170 HydrophobicContact CB-CD2 3.68Å; I130-L170 HydrophobicContact CD1-CD2 3.59Å; I130-L170 HydrophobicContact CG1-CD2 4.26Å; I130-L170 HydrophobicContact CG2-CD2 3.74Å; I130-L170 PolarHBondContact N-O 2.81Å; I130-G172 VanDerWaalsContact CD1-CA 3.47Å; I130-G172 VanDerWaalsContact CD1-N 3.27Å; I130-L188 WeakPolarHBondContact CG2-O 3.46Å; I130-F189 HydrophobicContact CD1-CD1 3.88Å; I130-F189 HydrophobicContact CD1-CE1 3.39Å; I130-F189 HydrophobicContact CD1-CZ 4.29Å; I130-F189 HydrophobicContact CG1-CD1 3.99Å; I130-F189 HydrophobicContact CG1-CE1 4.01Å; I130-F189 HydrophobicContact CG2-CD1 4.45Å; I130-I200 HydrophobicContact CD1-CD1 4.22Å; I130-I200 HydrophobicContact CD1-CG1 4.01Å; I130-I200 HydrophobicContact CD1-CG2 4.43Å; I130-P213 WeakPolarHBondContact O-CB 3.1Å |
| 131 | R | 93.4 | Very high | 90.6 | Very high | 111 Ų | 111 | 40.2 Ų | 40.2 | 42% | 0.419 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 139.9 | -174.5 | 179.7 | 173.6 | 170.4 | 174.5 | -0.1 | 110.5 | Q169 L170 | R131-Q169 PolarHBondContact O-NE2 3.44Å; R131-L170 HydrophobicContact CB-CB 4.25Å; R131-L170 PolarHBondContact N-O 2.89Å; R131-L170 WeakPolarHBondContact O-CB 3.46Å; R131-L170 PolarHBondContact O-N 2.89Å |
| 132 | Y | 94 | Very high | 88.6 | Confident | 42 Ų | 42 | 44.3 Ų | 44.3 | 17% | 0.165 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 135.6 | 168.1 | 177.7 | -119.1 | 0 | 0 | 0 | 109.7 | W84 P134 I168 Q169 P207 A210 | W84-Y132 HydrophobicContact CH2-CD1 4.27Å; W84-Y132 HydrophobicContact CZ3-CD1 4.42Å; Y132-P134 HydrophobicContact CE1-CB 4.04Å; Y132-I168 CarbonylContact C-O 3.54Å; Y132-Q169 VanDerWaalsContact CD2-OE1 3.27Å; Y132-P207 WeakPolarHBondContact OH-CA 3.49Å; Y132-A210 HydrophobicContact CD1-CB 3.8Å; Y132-A210 HydrophobicContact CD2-CB 3.88Å; Y132-A210 HydrophobicContact CE1-CB 3.62Å; Y132-A210 HydrophobicContact CE2-CB 3.72Å; Y132-A210 HydrophobicContact CG-CB 3.92Å |
| 133 | T | 94 | Very high | 86.9 | Confident | 5 Ų | 5 | 48.6 Ų | 48.6 | 3% | 0.031 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 118.8 | 167.8 | -50.4 | 0 | 0 | 0 | 0 | 109.1 | E137 Y141 G167 I168 | T133-E137 HydrophobicContact CG2-CB 3.78Å; T133-Y141 HydrophobicContact CG2-CE2 3.9Å; T133-Y141 PolarHBondContact OG1-OH 3.48Å; T133-G167 CarbonylContact O-C 3.55Å; T133-G167 WeakPolarHBondContact O-CA 3.5Å; T133-I168 PolarHBondContact N-O 2.84Å; T133-I168 PolarHBondContact O-N 3.39Å |
| 134 | P | 93.7 | Very high | 85.1 | Confident | 35 Ų | 35 | 46.8 Ų | 46.8 | 23% | 0.227 | 24% | 0.239 | C | C | . | . | trans | -68.6 | 158 | -178.8 | 29 | -35.2 | 0 | 0 | 0 | 111.7 | Y132 S136 E137 | Y132-P134 HydrophobicContact CE1-CB 4.04Å; P134-S136 PolarHBondContact O-N 2.75Å; P134-S136 VanDerWaalsContact O-N 3.12Å; P134-E137 HydrophobicContact CG-CB 4.14Å; P134-E137 HydrophobicContact CG-CG 3.9Å; P134-E137 PolarHBondContact O-N 2.99Å | ||
| 135 | P | 90.8 | Very high | 83.2 | Confident | 13 Ų | 13 | 49.9 Ų | 49.9 | 8% | 0.084 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -56.8 | -30 | -178.4 | -16.3 | 21.2 | 0 | 0 | 0 | 114.5 | E137 K164 P207 | P135-E137 VanDerWaalsContact C-N 3.27Å; P135-E137 PolarHBondContact O-N 3.44Å; P135-K164 HydrophobicContact CB-CB 3.95Å; P135-K164 WeakPolarHBondContact CB-O 3.48Å; P135-P207 HydrophobicContact CG-CG 3.78Å |
| 136 | S | 89.6 | Confident | 81.4 | Confident | 76 Ų | 76 | 54.7 Ų | 54.7 | 53% | 0.531 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -63.3 | -32.4 | 177.7 | 49.2 | 0 | 0 | 0 | 0 | 112.9 | P134 | P134-S136 PolarHBondContact O-N 2.75Å; P134-S136 VanDerWaalsContact O-N 3.12Å |
| 137 | E | 89.4 | Confident | 79.6 | Confident | 71 Ų | 71 | 53.6 Ų | 53.6 | 33% | 0.332 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -98.3 | -3.9 | -173.1 | -68.8 | -171.5 | -155.3 | 0 | 0 | 114.3 | T133 P134 P135 D139 K140 | T133-E137 HydrophobicContact CG2-CB 3.78Å; P134-E137 HydrophobicContact CG-CB 4.14Å; P134-E137 HydrophobicContact CG-CG 3.9Å; P134-E137 PolarHBondContact O-N 2.99Å; P135-E137 VanDerWaalsContact C-N 3.27Å; P135-E137 PolarHBondContact O-N 3.44Å; E137-D139 PolarHBondContact O-N 3.41Å; E137-D139 VanDerWaalsContact O-N 3.14Å; E137-K140 HydrophobicContact CB-CD 4.27Å; E137-K140 VanDerWaalsContact CD-NZ 3.28Å; E137-K140 WeakPolarHBondContact O-CB 2.99Å; E137-K140 WeakPolarHBondContact O-CG 3.44Å; E137-K140 PolarHBondContact O-N 2.66Å; E137-K140 IonicContact OE1-NZ 3.94Å; E137-K140 IonicContact OE2-NZ 2.74Å; E137-K140 PolarHBondContact OE2-NZ 2.67Å |
| 138 | I | 82.6 | Confident | 77.3 | Confident | 4 Ų | 4 | 63.3 Ų | 63.3 | 2% | 0.021 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -58.8 | -29.9 | -178 | -67.5 | -176.4 | 0 | 0 | 0 | 112 | K140 Y141 L144 W160 W166 I168 | I138-K140 PolarHBondContact O-N 2.89Å; I138-K140 VanDerWaalsContact O-N 3.09Å; I138-Y141 PolarHBondContact O-N 2.87Å; I138-L144 HydrophobicContact CG2-CD1 3.47Å; I138-L144 VanDerWaalsContact CG2-CD1 3.47Å; I138-W160 HydrophobicContact CD1-CZ3 4.09Å; I138-W166 WeakPolarHBondContact CD1-O 3.35Å; I138-I168 HydrophobicContact CD1-CD1 4.26Å; I138-I168 HydrophobicContact CD1-CG1 4.08Å; I138-I168 HydrophobicContact CG1-CD1 4.27Å; I138-I168 HydrophobicContact CG1-CG1 4.44Å; I138-I168 HydrophobicContact CG2-CD1 4.35Å |
| 139 | D | 74.7 | Confident | 74.9 | Confident | 59 Ų | 59 | 71.4 Ų | 71.4 | 32% | 0.316 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -59.6 | -21.7 | 179.1 | -59.2 | -28.1 | 0 | 0 | 0 | 112.5 | E137 Y141 L145 K164 | E137-D139 PolarHBondContact O-N 3.41Å; E137-D139 VanDerWaalsContact O-N 3.14Å; D139-Y141 PolarHBondContact O-N 3.12Å; D139-L145 WeakPolarHBondContact O-CD1 3.43Å; D139-K164 VanDerWaalsContact OD2-CE 3.3Å; D139-K164 WeakPolarHBondContact OD2-CE 3.32Å; D139-K164 IonicContact OD2-NZ 3.55Å; D139-K164 PolarHBondContact OD2-NZ 3.17Å |
| 140 | K | 76.6 | Confident | 72.5 | Confident | 139 Ų | 139 | 80 Ų | 80 | 60% | 0.604 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -61.4 | -26.2 | 175.3 | -65.2 | 176.7 | -176.3 | 173.4 | 0 | 112.6 | E137 I138 I142 | E137-K140 HydrophobicContact CB-CD 4.27Å; E137-K140 VanDerWaalsContact CD-NZ 3.28Å; E137-K140 WeakPolarHBondContact O-CB 2.99Å; E137-K140 WeakPolarHBondContact O-CG 3.44Å; E137-K140 PolarHBondContact O-N 2.66Å; E137-K140 IonicContact OE1-NZ 3.94Å; E137-K140 IonicContact OE2-NZ 2.74Å; E137-K140 PolarHBondContact OE2-NZ 2.67Å; I138-K140 PolarHBondContact O-N 2.89Å; I138-K140 VanDerWaalsContact O-N 3.09Å; K140-I142 PolarHBondContact O-N 2.75Å; K140-I142 VanDerWaalsContact O-N 3.17Å |
| 141 | Y | 74 | Confident | 70.4 | Confident | 78 Ų | 78 | 89.9 Ų | 89.9 | 31% | 0.306 | 42% | 0.418 | S | S | . | . | trans | -83.5 | 96 | 179.3 | -60.7 | -70.1 | 0 | 0 | 0 | 110.6 | T133 I138 D139 S143 L144 | T133-Y141 HydrophobicContact CG2-CE2 3.9Å; T133-Y141 PolarHBondContact OG1-OH 3.48Å; I138-Y141 PolarHBondContact O-N 2.87Å; D139-Y141 PolarHBondContact O-N 3.12Å; Y141-S143 PolarHBondContact O-N 2.87Å; Y141-L144 WeakPolarHBondContact O-CB 3.46Å; Y141-L144 PolarHBondContact O-N 2.9Å | ||
| 142 | I | 55.2 | Low | 67.9 | Low | 109 Ų | 109 | 90.6 Ų | 90.6 | 56% | 0.559 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -50 | -34.3 | -179.1 | -60.6 | 171.8 | 0 | 0 | 0 | 112.6 | K140 L144 L145 H146 | K140-I142 PolarHBondContact O-N 2.75Å; K140-I142 VanDerWaalsContact O-N 3.17Å; I142-L144 PolarHBondContact O-N 2.92Å; I142-L145 PolarHBondContact O-N 3Å; I142-H146 PolarHBondContact O-N 2.74Å |
| 143 | S | 63.2 | Low | 65.5 | Low | 90 Ų | 90 | 96.3 Ų | 96.3 | 63% | 0.629 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -61.6 | -22 | 178.7 | 60.3 | 0 | 0 | 0 | 0 | 113.9 | Y141 | Y141-S143 PolarHBondContact O-N 2.87Å |
| 144 | L | 60.3 | Low | 63.3 | Low | 33 Ų | 33 | 102 Ų | 102 | 17% | 0.173 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -90.5 | -32.8 | 178 | -61.6 | -179.8 | 0 | 0 | 0 | 112.5 | I138 Y141 I142 I161 I168 | I138-L144 HydrophobicContact CG2-CD1 3.47Å; I138-L144 VanDerWaalsContact CG2-CD1 3.47Å; Y141-L144 WeakPolarHBondContact O-CB 3.46Å; Y141-L144 PolarHBondContact O-N 2.9Å; I142-L144 PolarHBondContact O-N 2.92Å; L144-I161 HydrophobicContact CB-CD1 4.13Å; L144-I161 HydrophobicContact CD2-CD1 4.33Å; L144-I168 HydrophobicContact CD1-CD1 4.2Å |
| 145 | L | 56.2 | Low | 61.7 | Low | 79 Ų | 79 | 110.5 Ų | 110.5 | 41% | 0.414 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -76.2 | -41.7 | 178.2 | -71.7 | 175.6 | 0 | 0 | 0 | 112.5 | D139 I142 P147 | D139-L145 WeakPolarHBondContact O-CD1 3.43Å; I142-L145 PolarHBondContact O-N 3Å; L145-P147 WeakPolarHBondContact O-CD 3.2Å |
| 146 | H | 54.4 | Low | 60.4 | Low | 118 Ų | 118 | 119.7 Ų | 119.7 | 55% | 0.546 | 56% | 0.56 | S | S | . | * | S | Bend | trans | -119.6 | 92.1 | 177.1 | -68.3 | -61.6 | 0 | 0 | 0 | 108.8 | I142 R148 | I142-H146 PolarHBondContact O-N 2.74Å; H146-R148 HydrophobicContact CB-CG 4.36Å; H146-R148 PolarHBondContact O-N 2.95Å |
| 147 | P | 54.8 | Low | 59.4 | Low | 47 Ų | 47 | 118.4 Ų | 118.4 | 31% | 0.305 | 55% | 0.549 | S | S | . | . | trans | -66 | 78.3 | 173.7 | 25.5 | -31.6 | 0 | 0 | 0 | 109.2 | L145 H149 Y150 | L145-P147 WeakPolarHBondContact O-CD 3.2Å; P147-H149 PolarHBondContact O-N 3.5Å; P147-Y150 HydrophobicContact CB-CD2 3.52Å; P147-Y150 HydrophobicContact CB-CE2 4.38Å; P147-Y150 HydrophobicContact CB-CG 4.22Å; P147-Y150 PolarHBondContact O-N 2.98Å | ||
| 148 | R | 45.4 | Very low | 58.5 | Low | 205 Ų | 205 | 118.2 Ų | 118.2 | 77% | 0.774 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | 1.7 | -177.9 | -75.6 | -173.6 | -174.9 | 153.2 | 2.5 | 113.3 | H146 | H146-R148 HydrophobicContact CB-CG 4.36Å; H146-R148 PolarHBondContact O-N 2.95Å |
| 149 | H | 43.1 | Very low | 58.3 | Low | 180 Ų | 180 | 121.8 Ų | 121.8 | 83% | 0.833 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -145 | 12.6 | -174.4 | -98.3 | -100.1 | 0 | 0 | 0 | 115.5 | P147 W151 | P147-H149 PolarHBondContact O-N 3.5Å; H149-W151 PolarHBondContact O-N 3.03Å |
| 150 | Y | 44.1 | Very low | 58.3 | Low | 180 Ų | 180 | 121 Ų | 121 | 71% | 0.706 | 57% | 0.573 | S | S | * | * | trans | -89.9 | 99.2 | 170 | -77.2 | -91.1 | 0 | 0 | 0 | 109.2 | P147 L152 | P147-Y150 HydrophobicContact CB-CD2 3.52Å; P147-Y150 HydrophobicContact CB-CE2 4.38Å; P147-Y150 HydrophobicContact CB-CG 4.22Å; P147-Y150 PolarHBondContact O-N 2.98Å; Y150-L152 PolarHBondContact O-N 3.3Å | ||
| 151 | W | 47.9 | Very low | 58.2 | Low | 213 Ų | 213 | 114.9 Ų | 114.9 | 81% | 0.807 | 55% | 0.546 | S | S | * | . | trans | -62.1 | -10.7 | -177.8 | 93.5 | 56.3 | 0 | 0 | 0 | 113.7 | H149 | H149-W151 PolarHBondContact O-N 3.03Š| ||
| 152 | L | 42.2 | Very low | 58.3 | Low | 126 Ų | 126 | 115.8 Ų | 115.8 | 66% | 0.66 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -89.4 | 122.1 | 176.7 | -74.8 | 148.9 | 0 | 0 | 0 | 109.2 | Y150 N154 | Y150-L152 PolarHBondContact O-N 3.3Å; L152-N154 PolarHBondContact O-N 2.81Å |
| 153 | N | 44.1 | Very low | 59.5 | Low | 162 Ų | 162 | 116 Ų | 116 | 87% | 0.866 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -21.1 | 6.2 | 169.3 | -80.5 | -6.7 | 0 | 0 | 0 | 122 | K155 | N153-K155 PolarHBondContact O-N 3.38Š|
| 154 | N | 48 | Very low | 60.4 | Low | 126 Ų | 126 | 116.1 Ų | 116.1 | 67% | 0.674 | 55% | 0.548 | S | S | * | . | trans | -78.6 | 88.1 | 175.2 | -73.2 | -4.3 | 0 | 0 | 0 | 109.4 | L152 R156 | L152-N154 PolarHBondContact O-N 2.81Å; N154-R156 PolarHBondContact O-N 3.47Å | ||
| 155 | K | 59.1 | Low | 61.6 | Low | 212 Ų | 212 | 119.8 Ų | 119.8 | 92% | 0.922 | 56% | 0.56 | S | S | * | * | trans | -59.4 | -1.5 | 161.5 | -67.5 | -172.3 | 176.8 | -175.3 | 0 | 113 | N153 | N153-K155 PolarHBondContact O-N 3.38Š| ||
| 156 | R | 64.4 | Low | 63.2 | Low | 207 Ų | 207 | 117.4 Ų | 117.4 | 78% | 0.781 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -114.4 | 134.5 | -174.5 | -62.9 | -175.7 | 179.7 | 174.7 | -0.4 | 110 | N154 | N154-R156 PolarHBondContact O-N 3.47Š|
| 157 | P | 68.8 | Low | 65.1 | Low | 48 Ų | 48 | 111.8 Ų | 111.8 | 31% | 0.312 | 52% | 0.519 | S | S | . | . | trans | -60.8 | 153.3 | 173 | 26.8 | -33.5 | 0 | 0 | 0 | 110.5 | ||||
| 158 | P | 70.6 | Confident | 66.9 | Low | 67 Ų | 67 | 110.1 Ų | 110.1 | 44% | 0.435 | 51% | 0.508 | S | S | . | . | trans | -45.9 | 140.6 | 169.2 | -28 | 29.6 | 0 | 0 | 0 | 112.8 | W160 I161 T162 | P158-W160 HydrophobicContact CB-CG 4.47Å; P158-W160 PolarHBondContact O-N 3.06Å; P158-W160 VanDerWaalsContact O-N 3.15Å; P158-I161 HydrophobicContact CB-CD1 4.19Å; P158-I161 HydrophobicContact CG-CD1 3.98Å; P158-I161 WeakPolarHBondContact O-CB 3.35Å; P158-I161 PolarHBondContact O-N 3.14Å; P158-I161 VanDerWaalsContact O-N 3.08Å; P158-T162 PolarHBondContact O-N 3.43Å | ||
| 159 | S | 77 | Confident | 69.3 | Low | 80 Ų | 80 | 100.4 Ų | 100.4 | 56% | 0.559 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -55.8 | -37.4 | -175.1 | 55.6 | 0 | 0 | 0 | 0 | 113.3 | I161 T162 Q163 | S159-I161 VanDerWaalsContact C-N 3.28Å; S159-I161 PolarHBondContact O-N 3.32Å; S159-T162 PolarHBondContact O-N 3.14Å; S159-T162 VanDerWaalsContact O-N 3.13Å; S159-Q163 WeakPolarHBondContact O-CB 3.34Å; S159-Q163 WeakPolarHBondContact O-CG 3.48Å; S159-Q163 PolarHBondContact O-N 2.71Å |
| 160 | W | 74.7 | Confident | 71.8 | Confident | 42 Ų | 42 | 94 Ų | 94 | 16% | 0.159 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -65 | -29.1 | -178.5 | 67.9 | -93.4 | 0 | 0 | 0 | 113.9 | I138 P158 K164 R165 W166 L204 | I138-W160 HydrophobicContact CD1-CZ3 4.09Å; P158-W160 HydrophobicContact CB-CG 4.47Å; P158-W160 PolarHBondContact O-N 3.06Å; P158-W160 VanDerWaalsContact O-N 3.15Å; W160-K164 PolarHBondContact O-N 3.13Å; W160-K164 VanDerWaalsContact O-N 3.14Å; W160-R165 PolarHBondContact O-N 3.44Å; W160-W166 HydrophobicContact CB-CE3 3.54Å; W160-W166 HydrophobicContact CB-CH2 4.4Å; W160-W166 HydrophobicContact CB-CZ3 3.44Å; W160-W166 VanDerWaalsContact CB-CZ3 3.44Å; W160-W166 HydrophobicContact CD2-CE3 4.11Å; W160-W166 HydrophobicContact CD2-CZ3 4.47Å; W160-W166 HydrophobicContact CE3-CE3 4.2Å; W160-W166 AromaticContact CG-CE3 3.87Å; W160-W166 HydrophobicContact CG-CE3 3.87Å; W160-W166 AromaticContact CG-CZ3 3.82Å; W160-W166 HydrophobicContact CG-CZ3 3.82Å; W160-L204 HydrophobicContact CD2-CD1 4.38Å; W160-L204 HydrophobicContact CE3-CD2 4.21Å; W160-L204 HydrophobicContact CH2-CD2 3.62Å; W160-L204 HydrophobicContact CZ2-CD1 4.4Å; W160-L204 HydrophobicContact CZ2-CD2 4.13Å; W160-L204 HydrophobicContact CZ3-CD2 3.65Å |
| 161 | I | 75.6 | Confident | 74.3 | Confident | 10 Ų | 10 | 85.5 Ų | 85.5 | 5% | 0.051 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -69.9 | -47.1 | 173.4 | -65.8 | 166.6 | 0 | 0 | 0 | 108.7 | L144 P158 S159 Q163 K164 | L144-I161 HydrophobicContact CB-CD1 4.13Å; L144-I161 HydrophobicContact CD2-CD1 4.33Å; P158-I161 HydrophobicContact CB-CD1 4.19Å; P158-I161 HydrophobicContact CG-CD1 3.98Å; P158-I161 WeakPolarHBondContact O-CB 3.35Å; P158-I161 PolarHBondContact O-N 3.14Å; P158-I161 VanDerWaalsContact O-N 3.08Å; S159-I161 VanDerWaalsContact C-N 3.28Å; S159-I161 PolarHBondContact O-N 3.32Å; I161-Q163 VanDerWaalsContact C-N 3.29Å; I161-Q163 PolarHBondContact O-N 3.38Å; I161-K164 WeakPolarHBondContact O-CG 3.33Å; I161-K164 PolarHBondContact O-N 3.08Å; I161-K164 VanDerWaalsContact O-N 3.14Å |
| 162 | T | 75.7 | Confident | 76.6 | Confident | 98 Ų | 98 | 75.3 Ų | 75.3 | 60% | 0.601 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -63.8 | -38.3 | 179.8 | -45.2 | 0 | 0 | 0 | 0 | 111.2 | P158 S159 K164 | P158-T162 PolarHBondContact O-N 3.43Å; S159-T162 PolarHBondContact O-N 3.14Å; S159-T162 VanDerWaalsContact O-N 3.13Å; T162-K164 VanDerWaalsContact C-N 3.29Å; T162-K164 PolarHBondContact O-N 3.03Å |
| 163 | Q | 81 | Confident | 79.1 | Confident | 112 Ų | 112 | 69.3 Ų | 69.3 | 52% | 0.523 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -6.8 | 179.5 | -66.3 | 172.3 | -13.7 | 0 | 0 | 113.4 | S159 I161 R165 | S159-Q163 WeakPolarHBondContact O-CB 3.34Å; S159-Q163 WeakPolarHBondContact O-CG 3.48Å; S159-Q163 PolarHBondContact O-N 2.71Å; I161-Q163 VanDerWaalsContact C-N 3.29Å; I161-Q163 PolarHBondContact O-N 3.38Å; Q163-R165 HydrophobicContact CB-CG 3.7Å; Q163-R165 PolarHBondContact O-N 2.97Å |
| 164 | K | 81.9 | Confident | 81.4 | Confident | 93 Ų | 93 | 64.1 Ų | 64.1 | 40% | 0.404 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 44.9 | 40.3 | -177 | -63.1 | -167 | 174.5 | -163.9 | 0 | 113.8 | P135 D139 W160 I161 T162 | P135-K164 HydrophobicContact CB-CB 3.95Å; P135-K164 WeakPolarHBondContact CB-O 3.48Å; D139-K164 VanDerWaalsContact OD2-CE 3.3Å; D139-K164 WeakPolarHBondContact OD2-CE 3.32Å; D139-K164 IonicContact OD2-NZ 3.55Å; D139-K164 PolarHBondContact OD2-NZ 3.17Å; W160-K164 PolarHBondContact O-N 3.13Å; W160-K164 VanDerWaalsContact O-N 3.14Å; I161-K164 WeakPolarHBondContact O-CG 3.33Å; I161-K164 PolarHBondContact O-N 3.08Å; I161-K164 VanDerWaalsContact O-N 3.14Å; T162-K164 VanDerWaalsContact C-N 3.29Å; T162-K164 PolarHBondContact O-N 3.03Å |
| 165 | R | 85.4 | Confident | 83.3 | Confident | 111 Ų | 111 | 60.3 Ų | 60.3 | 42% | 0.419 | 29% | 0.292 | S | S | . | . | trans | -78.7 | -32.1 | -174.2 | -71.1 | -177.6 | 71.9 | -170.6 | 3.4 | 114 | W160 Q163 | W160-R165 PolarHBondContact O-N 3.44Å; Q163-R165 HydrophobicContact CB-CG 3.7Å; Q163-R165 PolarHBondContact O-N 2.97Å | ||
| 166 | W | 89.9 | Confident | 84.6 | Confident | 29 Ų | 29 | 50.8 Ų | 50.8 | 11% | 0.11 | 25% | 0.253 | C | S | . | . | trans | -130.2 | 138.3 | -171.6 | -56.6 | -46.9 | 0 | 0 | 0 | 109.8 | I138 W160 L204 V205 | I138-W166 WeakPolarHBondContact CD1-O 3.35Å; W160-W166 HydrophobicContact CB-CE3 3.54Å; W160-W166 HydrophobicContact CB-CH2 4.4Å; W160-W166 HydrophobicContact CB-CZ3 3.44Å; W160-W166 VanDerWaalsContact CB-CZ3 3.44Å; W160-W166 HydrophobicContact CD2-CE3 4.11Å; W160-W166 HydrophobicContact CD2-CZ3 4.47Å; W160-W166 HydrophobicContact CE3-CE3 4.2Å; W160-W166 AromaticContact CG-CE3 3.87Å; W160-W166 HydrophobicContact CG-CE3 3.87Å; W160-W166 AromaticContact CG-CZ3 3.82Å; W160-W166 HydrophobicContact CG-CZ3 3.82Å; W166-L204 HydrophobicContact CB-CB 4.17Å; W166-L204 HydrophobicContact CE3-CB 4.38Å; W166-L204 HydrophobicContact CE3-CD1 3.85Å; W166-L204 HydrophobicContact CG-CB 4.47Å; W166-L204 HydrophobicContact CZ3-CD1 4.21Å; W166-V205 CarbonylContact C-O 3.14Å; W166-V205 WeakPolarHBondContact CA-O 3.32Å | ||
| 167 | G | 92.8 | Very high | 85.5 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 179.2 | 163.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | T133 L204 V205 | T133-G167 CarbonylContact O-C 3.55Å; T133-G167 WeakPolarHBondContact O-CA 3.5Å; G167-L204 WeakPolarHBondContact O-CA 3.02Å; G167-V205 WeakPolarHBondContact CA-O 3.39Å; G167-V205 PolarHBondContact N-O 2.95Å; G167-V205 PolarHBondContact O-N 3.16Å |
| 168 | I | 93.7 | Very high | 86.3 | Confident | 12 Ų | 12 | 45.4 Ų | 45.4 | 6% | 0.062 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 115.7 | 176.2 | -64 | 172.2 | 0 | 0 | 0 | 108.6 | Y132 T133 I138 L144 R202 F203 L204 | Y132-I168 CarbonylContact C-O 3.54Å; T133-I168 PolarHBondContact N-O 2.84Å; T133-I168 PolarHBondContact O-N 3.39Å; I138-I168 HydrophobicContact CD1-CD1 4.26Å; I138-I168 HydrophobicContact CD1-CG1 4.08Å; I138-I168 HydrophobicContact CG1-CD1 4.27Å; I138-I168 HydrophobicContact CG1-CG1 4.44Å; I138-I168 HydrophobicContact CG2-CD1 4.35Å; L144-I168 HydrophobicContact CD1-CD1 4.2Å; I168-R202 HydrophobicContact CG2-CB 3.71Å; I168-F203 WeakPolarHBondContact CA-O 3.28Å; I168-L204 HydrophobicContact CG1-CD2 4.29Å |
| 169 | Q | 95 | Very high | 86.8 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 124.2 | 168.4 | -168.2 | 71.2 | 36.8 | 0 | 0 | 109.3 | C97 R131 Y132 V171 R202 F203 V205 L211 | C97-Q169 HydrophobicContact CB-CG 4.5Å; R131-Q169 PolarHBondContact O-NE2 3.44Å; Y132-Q169 VanDerWaalsContact CD2-OE1 3.27Å; Q169-V171 HydrophobicContact CG-CG2 4.23Å; Q169-R202 CarbonylContact O-C 3.56Å; Q169-R202 WeakPolarHBondContact O-CA 3.27Å; Q169-F203 PolarHBondContact N-O 3.33Å; Q169-F203 PolarHBondContact O-N 2.79Å; Q169-V205 HydrophobicContact CB-CB 4.15Å; Q169-V205 HydrophobicContact CB-CG2 3.53Å; Q169-L211 PolarHBondContact NE2-O 2.74Å |
| 170 | L | 96.2 | Very high | 87.2 | Confident | 47 Ų | 47 | 46.7 Ų | 46.7 | 25% | 0.246 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 122.7 | 175.2 | -159.7 | 126.1 | 0 | 0 | 0 | 108.3 | I130 R131 I200 | I130-L170 HydrophobicContact CB-CD2 3.68Å; I130-L170 HydrophobicContact CD1-CD2 3.59Å; I130-L170 HydrophobicContact CG1-CD2 4.26Å; I130-L170 HydrophobicContact CG2-CD2 3.74Å; I130-L170 PolarHBondContact N-O 2.81Å; R131-L170 HydrophobicContact CB-CB 4.25Å; R131-L170 PolarHBondContact N-O 2.89Å; R131-L170 WeakPolarHBondContact O-CB 3.46Å; R131-L170 PolarHBondContact O-N 2.89Å; L170-I200 HydrophobicContact CD1-CG2 3.99Å; L170-I200 HydrophobicContact CD2-CD1 4.31Å; L170-I200 HydrophobicContact CD2-CG2 3.37Å; L170-I200 HydrophobicContact CG-CG2 3.47Å; L170-I200 VanDerWaalsContact CG-CG2 3.47Å |
| 171 | V | 96.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 136.6 | -178.2 | 175.7 | 0 | 0 | 0 | 0 | 109 | C97 I100 H128 Q169 I200 S201 F203 L217 | C97-V171 WeakPolarHBondContact SG-CG2 3.42Å; I100-V171 HydrophobicContact CD1-CB 4.4Å; I100-V171 HydrophobicContact CD1-CG1 4.17Å; I100-V171 WeakPolarHBondContact CD1-O 3.26Å; I100-V171 HydrophobicContact CG1-CG1 4.35Å; H128-V171 WeakPolarHBondContact O-CA 3.43Å; Q169-V171 HydrophobicContact CG-CG2 4.23Å; V171-I200 WeakPolarHBondContact O-CA 3.44Å; V171-S201 PolarHBondContact N-O 2.88Å; V171-S201 PolarHBondContact O-N 3.28Å; V171-F203 HydrophobicContact CB-CD2 4.09Å; V171-F203 HydrophobicContact CB-CE2 3.95Å; V171-F203 HydrophobicContact CG1-CE2 4.46Å; V171-F203 HydrophobicContact CG2-CD2 3.74Å; V171-F203 HydrophobicContact CG2-CE2 4.02Å; V171-L217 HydrophobicContact CG1-CD1 3.96Å; V171-L217 HydrophobicContact CG2-CD1 4.09Å |
| 172 | G | 96.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 147 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | N127 H128 I130 K199 | N127-G172 CarbonylContact C-O 3.53Å; N127-G172 VanDerWaalsContact CA-O 3.26Å; N127-G172 WeakPolarHBondContact CA-O 3.36Å; H128-G172 PolarHBondContact N-O 3.46Å; H128-G172 PolarHBondContact O-N 2.92Å; I130-G172 VanDerWaalsContact CD1-CA 3.47Å; I130-G172 VanDerWaalsContact CD1-N 3.27Å; G172-K199 CarbonylContact C-O 3.53Å; G172-K199 VanDerWaalsContact CA-O 3.32Å; G172-K199 WeakPolarHBondContact CA-O 3.2Å |
| 173 | A | 94.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 148.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111 | I100 P125 D126 N127 R198 K199 | I100-A173 HydrophobicContact CB-CB 3.6Å; I100-A173 HydrophobicContact CD1-CB 3.89Å; I100-A173 HydrophobicContact CG1-CB 4.31Å; I100-A173 HydrophobicContact CG2-CB 3.55Å; P125-A173 HydrophobicContact CG-CB 3.95Å; D126-A173 WeakPolarHBondContact O-CA 3.36Å; N127-A173 WeakPolarHBondContact OD1-CA 3.3Å; N127-A173 WeakPolarHBondContact OD1-CB 3.44Å; A173-R198 PolarHBondContact O-N 2.92Å; A173-K199 PolarHBondContact N-O 3.38Å; A173-K199 PolarHBondContact O-N 3.25Å |
| 174 | F | 92.3 | Very high | 89.9 | Confident | 53 Ų | 53 | 53.1 Ų | 53.1 | 23% | 0.232 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 63 | 113.5 | -172.8 | -74.2 | -92.9 | 0 | 0 | 0 | 112.7 | I102 P125 D126 A176 K197 R198 Y319 | I102-F174 HydrophobicContact CB-CE2 4.44Å; I102-F174 HydrophobicContact CB-CZ 4.29Å; I102-F174 HydrophobicContact CD1-CD2 4.28Å; I102-F174 HydrophobicContact CD1-CE1 3.87Å; I102-F174 HydrophobicContact CD1-CE2 3.22Å; I102-F174 HydrophobicContact CD1-CZ 2.99Å; I102-F174 HydrophobicContact CG1-CE2 3.45Å; I102-F174 VanDerWaalsContact CG1-CE2 3.45Å; I102-F174 HydrophobicContact CG1-CZ 3.58Å; P125-F174 HydrophobicContact CB-CD1 4.22Å; P125-F174 HydrophobicContact CB-CD2 3.7Å; P125-F174 HydrophobicContact CB-CE1 3.93Å; P125-F174 HydrophobicContact CB-CE2 3.35Å; P125-F174 HydrophobicContact CB-CG 4.08Å; P125-F174 HydrophobicContact CB-CZ 3.42Å; P125-F174 VanDerWaalsContact CB-CZ 3.42Å; P125-F174 HydrophobicContact CG-CD2 3.62Å; P125-F174 HydrophobicContact CG-CE2 3.28Å; P125-F174 HydrophobicContact CG-CG 4.44Å; P125-F174 HydrophobicContact CG-CZ 3.88Å; D126-F174 PolarHBondContact O-N 2.92Å; F174-A176 PolarHBondContact O-N 3.24Å; F174-K197 CarbonylContact O-C 3.58Å; F174-K197 WeakPolarHBondContact O-CA 3.43Å; F174-K197 WeakPolarHBondContact O-CB 3.49Å; F174-K197 WeakPolarHBondContact O-CD 3.05Å; F174-R198 HydrophobicContact CB-CB 3.91Å; F174-R198 PolarHBondContact O-N 2.81Å; F174-Y319 HydrophobicContact CD2-CD1 4.47Å; F174-Y319 AromaticContact CD2-CE1 3.68Å; F174-Y319 HydrophobicContact CD2-CE1 3.68Å; F174-Y319 HydrophobicContact CE2-CD1 4.37Å; F174-Y319 AromaticContact CE2-CE1 3.82Å; F174-Y319 HydrophobicContact CE2-CE1 3.82Å |
| 175 | S | 88.3 | Confident | 90.4 | Very high | 45 Ų | 45 | 52.2 Ų | 52.2 | 32% | 0.315 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 134 | 164.6 | -61.2 | 0 | 0 | 0 | 0 | 109.3 | D126 K197 | D126-S175 PolarHBondContact OD2-OG 2.85Å; S175-K197 PolarHBondContact OG-NZ 2.83Å |
| 176 | A | 87 | Confident | 90.7 | Very high | 12 Ų | 12 | 48 Ų | 48 | 10% | 0.099 | 26% | 0.256 | C | S | . | . | trans | -134 | 157.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | F174 F181 P196 R198 | F174-A176 PolarHBondContact O-N 3.24Å; A176-F181 HydrophobicContact CB-CD2 4.22Å; A176-F181 HydrophobicContact CB-CE2 3.43Å; A176-F181 VanDerWaalsContact CB-CE2 3.43Å; A176-F181 HydrophobicContact CB-CZ 4.17Å; A176-P196 PolarHBondContact N-O 3.36Å; A176-P196 WeakPolarHBondContact O-CG 3.12Å; A176-R198 HydrophobicContact CB-CB 4.01Å | ||
| 177 | D | 83.2 | Confident | 90.8 | Very high | 81 Ų | 81 | 48 Ų | 48 | 43% | 0.433 | 27% | 0.265 | S | S | . | . | trans | -75.6 | 132.6 | -178 | -65.1 | -25.9 | 0 | 0 | 0 | 110.2 | I179 E180 F181 | D177-I179 PolarHBondContact O-N 3.16Å; D177-E180 HydrophobicContact CB-CG 4.34Å; D177-E180 PolarHBondContact O-N 2.74Å; D177-E180 VanDerWaalsContact O-N 3.11Å; D177-F181 WeakPolarHBondContact O-CD2 3.44Å | ||
| 178 | P | 84.2 | Confident | 90.8 | Very high | 62 Ų | 62 | 52 Ų | 52 | 40% | 0.403 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -19.9 | -179.3 | -24.2 | 31 | 0 | 0 | 0 | 115 | C186 P196 | P178-C186 PolarHBondContact O-SG 2.64Å; P178-P196 HydrophobicContact CB-CG 4.05Å; P178-P196 HydrophobicContact CG-CG 3.74Å |
| 179 | I | 82.6 | Confident | 90.7 | Very high | 70 Ų | 70 | 51.4 Ų | 51.4 | 36% | 0.359 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -30 | -177.6 | -61.2 | 171.5 | 0 | 0 | 0 | 111.7 | D177 F181 | D177-I179 PolarHBondContact O-N 3.16Å; I179-F181 PolarHBondContact O-N 3.05Å |
| 180 | E | 84.3 | Confident | 90.3 | Very high | 103 Ų | 103 | 59.2 Ų | 59.2 | 48% | 0.481 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -66.9 | -20.1 | 178.2 | -66.2 | -169.1 | 159.3 | 0 | 0 | 112.1 | D177 R198 | D177-E180 HydrophobicContact CB-CG 4.34Å; D177-E180 PolarHBondContact O-N 2.74Å; D177-E180 VanDerWaalsContact O-N 3.11Å; E180-R198 IonicContact OE2-NH1 2.8Å; E180-R198 PolarHBondContact OE2-NH1 2.78Å |
| 181 | F | 88.7 | Confident | 89.9 | Confident | 52 Ų | 52 | 64.7 Ų | 64.7 | 23% | 0.228 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -117.6 | 160.9 | -169.8 | -63.6 | -82.4 | 0 | 0 | 0 | 113.2 | A176 D177 I179 W185 R198 | A176-F181 HydrophobicContact CB-CD2 4.22Å; A176-F181 HydrophobicContact CB-CE2 3.43Å; A176-F181 VanDerWaalsContact CB-CE2 3.43Å; A176-F181 HydrophobicContact CB-CZ 4.17Å; D177-F181 WeakPolarHBondContact O-CD2 3.44Å; I179-F181 PolarHBondContact O-N 3.05Å; F181-W185 HydrophobicContact CB-CB 4.12Å; F181-W185 HydrophobicContact CB-CG 4.1Å; F181-W185 AromaticContact CD1-CD1 3.51Å; F181-W185 HydrophobicContact CD1-CD2 4.45Å; F181-W185 HydrophobicContact CD1-CG 4Å; F181-W185 AromaticContact CD1-NE1 3.69Å; F181-W185 AromaticContact CG-CD1 3.53Å; F181-W185 HydrophobicContact CG-CG 4.26Å; F181-R198 HydrophobicContact CZ-CB 4.4Å; F181-R198 HydrophobicContact CZ-CG 4.1Å |
| 182 | T | 91.4 | Very high | 89.5 | Confident | 84 Ų | 84 | 65.3 Ų | 65.3 | 52% | 0.515 | 35% | 0.346 | S | S | . | . | trans | -69.6 | 154 | 175 | 59.1 | 0 | 0 | 0 | 0 | 111.1 | E184 W185 C186 | T182-E184 PolarHBondContact O-N 3.32Å; T182-W185 WeakPolarHBondContact O-CB 2.91Å; T182-W185 PolarHBondContact O-N 3.22Å; T182-W185 PolarHBondContact OG1-N 2.99Å; T182-C186 PolarHBondContact O-N 2.96Å | ||
| 183 | S | 89 | Confident | 89 | Confident | 102 Ų | 102 | 68.3 Ų | 68.3 | 71% | 0.713 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -55.9 | -36.5 | 175.4 | 57 | 0 | 0 | 0 | 0 | 112.6 | C186 G187 | S183-C186 PolarHBondContact O-N 3.22Å; S183-G187 PolarHBondContact O-N 3Å |
| 184 | E | 94.3 | Very high | 88.7 | Confident | 160 Ų | 160 | 69.1 Ų | 69.1 | 75% | 0.748 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -62.3 | -44.8 | 175.1 | -63.1 | -179.2 | 169.5 | 0 | 0 | 112.2 | T182 G187 L188 | T182-E184 PolarHBondContact O-N 3.32Å; E184-G187 PolarHBondContact O-N 2.84Å; E184-L188 PolarHBondContact O-N 3.48Å |
| 185 | W | 93.5 | Very high | 88.5 | Confident | 74 Ų | 74 | 68 Ų | 68 | 28% | 0.28 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.3 | -46.8 | 177.1 | -175.4 | -94.6 | 0 | 0 | 0 | 110.9 | F181 T182 G187 L188 F189 K197 I200 | F181-W185 HydrophobicContact CB-CB 4.12Å; F181-W185 HydrophobicContact CB-CG 4.1Å; F181-W185 AromaticContact CD1-CD1 3.51Å; F181-W185 HydrophobicContact CD1-CD2 4.45Å; F181-W185 HydrophobicContact CD1-CG 4Å; F181-W185 AromaticContact CD1-NE1 3.69Å; F181-W185 AromaticContact CG-CD1 3.53Å; F181-W185 HydrophobicContact CG-CG 4.26Å; T182-W185 WeakPolarHBondContact O-CB 2.91Å; T182-W185 PolarHBondContact O-N 3.22Å; T182-W185 PolarHBondContact OG1-N 2.99Å; W185-G187 PolarHBondContact O-N 3.15Å; W185-L188 HydrophobicContact CE3-CD1 4.2Å; W185-L188 WeakPolarHBondContact O-CB 3.34Å; W185-L188 PolarHBondContact O-N 2.73Å; W185-F189 AromaticContact CD1-CE2 3.83Å; W185-F189 HydrophobicContact CG-CE2 4.47Å; W185-F189 AromaticContact NE1-CE2 3.64Å; W185-F189 AromaticContact NE1-CZ 3.97Å; W185-F189 VanDerWaalsContact O-CD2 3.22Å; W185-F189 WeakPolarHBondContact O-CD2 3.28Å; W185-F189 VanDerWaalsContact O-CE2 3.24Å; W185-F189 WeakPolarHBondContact O-CE2 3.37Å; W185-K197 PolarHBondContact NE1-O 3.33Å; W185-I200 HydrophobicContact CH2-CB 4.28Å; W185-I200 HydrophobicContact CH2-CD1 3.67Å; W185-I200 HydrophobicContact CH2-CG1 3.96Å; W185-I200 HydrophobicContact CZ2-CD1 3.63Å; W185-I200 HydrophobicContact CZ2-CG1 3.79Å; W185-I200 HydrophobicContact CZ3-CD1 4.26Å |
| 186 | C | 90.7 | Very high | 88.6 | Confident | 21 Ų | 21 | 66.4 Ų | 66.4 | 14% | 0.142 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.7 | -33.7 | 175.4 | -66.4 | 0 | 0 | 0 | 0 | 112.1 | P178 T182 S183 L188 F189 | P178-C186 PolarHBondContact O-SG 2.64Å; T182-C186 PolarHBondContact O-N 2.96Å; S183-C186 PolarHBondContact O-N 3.22Å; C186-L188 PolarHBondContact O-N 3.11Å; C186-F189 PolarHBondContact O-N 2.84Å |
| 187 | G | 92 | Very high | 88.9 | Confident | 29 Ų | 29 | 65.9 Ų | 65.9 | 30% | 0.299 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -57.4 | -32.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | S183 E184 W185 F189 K190 | S183-G187 PolarHBondContact O-N 3Å; E184-G187 PolarHBondContact O-N 2.84Å; W185-G187 PolarHBondContact O-N 3.15Å; G187-F189 PolarHBondContact O-N 3.41Å; G187-F189 VanDerWaalsContact O-N 3.16Å; G187-K190 PolarHBondContact O-N 2.53Å |
| 188 | L | 92.5 | Very high | 89.4 | Confident | 84 Ų | 84 | 67.9 Ų | 67.9 | 44% | 0.44 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.5 | -24.4 | -179.9 | -63.3 | 175 | 0 | 0 | 0 | 113.8 | I130 E184 W185 C186 I200 | I130-L188 WeakPolarHBondContact CG2-O 3.46Å; E184-L188 PolarHBondContact O-N 3.48Å; W185-L188 HydrophobicContact CE3-CD1 4.2Å; W185-L188 WeakPolarHBondContact O-CB 3.34Å; W185-L188 PolarHBondContact O-N 2.73Å; C186-L188 PolarHBondContact O-N 3.11Å; L188-I200 HydrophobicContact CD1-CD1 3.99Å |
| 189 | F | 91.7 | Very high | 89.9 | Confident | 1 Ų | 1 | 68.4 Ų | 68.4 | 0% | 0.004 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -100.3 | -13.9 | -174.4 | -54.5 | -90.2 | 0 | 0 | 0 | 113.1 | I130 W185 C186 G187 E191 A192 G193 I194 P196 K197 I200 | I130-F189 HydrophobicContact CD1-CD1 3.88Å; I130-F189 HydrophobicContact CD1-CE1 3.39Å; I130-F189 HydrophobicContact CD1-CZ 4.29Å; I130-F189 HydrophobicContact CG1-CD1 3.99Å; I130-F189 HydrophobicContact CG1-CE1 4.01Å; I130-F189 HydrophobicContact CG2-CD1 4.45Å; W185-F189 AromaticContact CD1-CE2 3.83Å; W185-F189 HydrophobicContact CG-CE2 4.47Å; W185-F189 AromaticContact NE1-CE2 3.64Å; W185-F189 AromaticContact NE1-CZ 3.97Å; W185-F189 VanDerWaalsContact O-CD2 3.22Å; W185-F189 WeakPolarHBondContact O-CD2 3.28Å; W185-F189 VanDerWaalsContact O-CE2 3.24Å; W185-F189 WeakPolarHBondContact O-CE2 3.37Å; C186-F189 PolarHBondContact O-N 2.84Å; G187-F189 PolarHBondContact O-N 3.41Å; G187-F189 VanDerWaalsContact O-N 3.16Å; F189-E191 PolarHBondContact O-N 2.48Å; F189-A192 PolarHBondContact O-N 3.48Å; F189-A192 VanDerWaalsContact O-N 3.14Å; F189-G193 PolarHBondContact O-N 3Å; F189-G193 VanDerWaalsContact O-N 3.09Å; F189-I194 WeakPolarHBondContact CB-O 3.47Å; F189-I194 PolarHBondContact O-N 3.22Å; F189-P196 HydrophobicContact CD2-CB 3.89Å; F189-P196 HydrophobicContact CE2-CB 4.04Å; F189-K197 HydrophobicContact CD1-CB 4.46Å; F189-K197 HydrophobicContact CD1-CG 4.12Å; F189-K197 HydrophobicContact CE1-CB 3.49Å; F189-K197 VanDerWaalsContact CE1-CB 3.49Å; F189-K197 HydrophobicContact CE1-CG 3.56Å; F189-K197 VanDerWaalsContact CE1-N 3.31Å; F189-K197 HydrophobicContact CZ-CB 3.77Å; F189-K197 HydrophobicContact CZ-CG 4.32Å; F189-I200 HydrophobicContact CE1-CD1 4.17Å; F189-I200 HydrophobicContact CE1-CG1 4.31Å; F189-I200 HydrophobicContact CE2-CD1 4.23Å; F189-I200 HydrophobicContact CZ-CD1 3.55Å; F189-I200 HydrophobicContact CZ-CG1 3.89Å |
| 190 | K | 88 | Confident | 90.6 | Very high | 163 Ų | 163 | 66.3 Ų | 66.3 | 71% | 0.709 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -60.6 | -43.6 | -177.1 | -70.1 | -176 | 179.5 | -179 | 0 | 112.3 | G187 A192 G193 | G187-K190 PolarHBondContact O-N 2.53Å; K190-A192 PolarHBondContact O-N 2.91Å; K190-G193 PolarHBondContact O-N 3.21Å; K190-G193 VanDerWaalsContact O-N 3.1Å |
| 191 | E | 87 | Confident | 91.1 | Very high | 162 Ų | 162 | 62.4 Ų | 62.4 | 76% | 0.757 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -32.7 | 178.1 | -69.3 | -179.5 | 179.6 | 0 | 0 | 112.3 | F189 | F189-E191 PolarHBondContact O-N 2.48Š|
| 192 | A | 87.8 | Confident | 91.4 | Very high | 13 Ų | 13 | 66.3 Ų | 66.3 | 11% | 0.107 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -11.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | F189 K190 I194 P213 | F189-A192 PolarHBondContact O-N 3.48Å; F189-A192 VanDerWaalsContact O-N 3.14Å; K190-A192 PolarHBondContact O-N 2.91Å; A192-I194 VanDerWaalsContact C-N 3.29Å; A192-I194 HydrophobicContact CB-CD1 3.61Å; A192-I194 HydrophobicContact CB-CG1 4.01Å; A192-I194 PolarHBondContact O-N 2.81Å; A192-P213 HydrophobicContact CB-CB 3.9Å |
| 193 | G | 86.9 | Confident | 91.6 | Very high | 64 Ų | 64 | 63 Ų | 63 | 66% | 0.66 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.8 | 23.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | F189 K190 | F189-G193 PolarHBondContact O-N 3Å; F189-G193 VanDerWaalsContact O-N 3.09Å; K190-G193 PolarHBondContact O-N 3.21Å; K190-G193 VanDerWaalsContact O-N 3.1Å |
| 194 | I | 86.8 | Confident | 91.8 | Very high | 17 Ų | 17 | 59.2 Ų | 59.2 | 9% | 0.087 | 30% | 0.298 | C | S | . | . | trans | -106.3 | 147.8 | -177.2 | -52.2 | 155.9 | 0 | 0 | 0 | 109.3 | H128 F189 A192 K197 | H128-I194 HydrophobicContact CB-CD1 3.48Å; H128-I194 VanDerWaalsContact CB-CD1 3.48Å; H128-I194 HydrophobicContact CB-CG1 4.36Å; H128-I194 HydrophobicContact CB-CG2 4.25Å; F189-I194 WeakPolarHBondContact CB-O 3.47Å; F189-I194 PolarHBondContact O-N 3.22Å; A192-I194 VanDerWaalsContact C-N 3.29Å; A192-I194 HydrophobicContact CB-CD1 3.61Å; A192-I194 HydrophobicContact CB-CG1 4.01Å; A192-I194 PolarHBondContact O-N 2.81Å; I194-K197 VanDerWaalsContact CG2-CE 3.43Å | ||
| 195 | P | 87.6 | Confident | 91.8 | Very high | 30 Ų | 30 | 51.6 Ų | 51.6 | 20% | 0.195 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -54.7 | 151.8 | 165.1 | 24.8 | -38.1 | 0 | 0 | 0 | 112.4 | L72 K197 | L72-P195 HydrophobicContact CD2-CB 3.84Å; L72-P195 HydrophobicContact CD2-CG 3.72Å; P195-K197 PolarHBondContact O-N 3.48Å |
| 196 | P | 90.9 | Very high | 91.9 | Very high | 11 Ų | 11 | 48.1 Ų | 48.1 | 7% | 0.071 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -62.3 | 139 | -179.8 | 23.9 | -28.6 | 0 | 0 | 0 | 110.9 | A176 P178 F189 | A176-P196 PolarHBondContact N-O 3.36Å; A176-P196 WeakPolarHBondContact O-CG 3.12Å; P178-P196 HydrophobicContact CB-CG 4.05Å; P178-P196 HydrophobicContact CG-CG 3.74Å; F189-P196 HydrophobicContact CD2-CB 3.89Å; F189-P196 HydrophobicContact CE2-CB 4.04Å |
| 197 | K | 92.9 | Very high | 92 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 142.1 | -179.9 | -55.2 | -68.8 | 179.6 | 173.3 | 0 | 111.5 | D126 H128 F174 S175 W185 F189 I194 P195 | D126-K197 IonicContact OD1-NZ 2.73Å; D126-K197 PolarHBondContact OD1-NZ 3.44Å; D126-K197 VanDerWaalsContact OD1-NZ 3.12Å; D126-K197 IonicContact OD2-NZ 3.12Å; D126-K197 PolarHBondContact OD2-NZ 2.77Å; H128-K197 PolarHBondContact ND1-NZ 3.36Å; F174-K197 CarbonylContact O-C 3.58Å; F174-K197 WeakPolarHBondContact O-CA 3.43Å; F174-K197 WeakPolarHBondContact O-CB 3.49Å; F174-K197 WeakPolarHBondContact O-CD 3.05Å; S175-K197 PolarHBondContact OG-NZ 2.83Å; W185-K197 PolarHBondContact NE1-O 3.33Å; F189-K197 HydrophobicContact CD1-CB 4.46Å; F189-K197 HydrophobicContact CD1-CG 4.12Å; F189-K197 HydrophobicContact CE1-CB 3.49Å; F189-K197 VanDerWaalsContact CE1-CB 3.49Å; F189-K197 HydrophobicContact CE1-CG 3.56Å; F189-K197 VanDerWaalsContact CE1-N 3.31Å; F189-K197 HydrophobicContact CZ-CB 3.77Å; F189-K197 HydrophobicContact CZ-CG 4.32Å; I194-K197 VanDerWaalsContact CG2-CE 3.43Å; P195-K197 PolarHBondContact O-N 3.48Å |
| 198 | R | 94.2 | Very high | 92 | Very high | 124 Ų | 124 | 50.8 Ų | 50.8 | 47% | 0.468 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | -37.5 | -179.7 | -170 | 165.5 | -175.6 | 109.5 | -4 | 112.1 | A173 F174 A176 E180 F181 Y319 | A173-R198 PolarHBondContact O-N 2.92Å; F174-R198 HydrophobicContact CB-CB 3.91Å; F174-R198 PolarHBondContact O-N 2.81Å; A176-R198 HydrophobicContact CB-CB 4.01Å; E180-R198 IonicContact OE2-NH1 2.8Å; E180-R198 PolarHBondContact OE2-NH1 2.78Å; F181-R198 HydrophobicContact CZ-CB 4.4Å; F181-R198 HydrophobicContact CZ-CG 4.1Å; R198-Y319 WeakPolarHBondContact CD-OH 3.41Å |
| 199 | K | 95.6 | Very high | 92.1 | Very high | 72 Ų | 72 | 46.8 Ų | 46.8 | 31% | 0.313 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 127.1 | -177.5 | -174.9 | 63.7 | -174.1 | 164.9 | 0 | 111.6 | I100 G172 A173 Y319 | I100-K199 HydrophobicContact CG2-CG 4.32Å; G172-K199 CarbonylContact C-O 3.53Å; G172-K199 VanDerWaalsContact CA-O 3.32Å; G172-K199 WeakPolarHBondContact CA-O 3.2Å; A173-K199 PolarHBondContact N-O 3.38Å; A173-K199 PolarHBondContact O-N 3.25Å; K199-Y319 HydrophobicContact CB-CD1 4.14Å; K199-Y319 HydrophobicContact CB-CD2 4.4Å; K199-Y319 HydrophobicContact CB-CE1 3.99Å; K199-Y319 HydrophobicContact CB-CE2 4.24Å; K199-Y319 HydrophobicContact CB-CG 4.35Å; K199-Y319 HydrophobicContact CD-CD2 3.98Å; K199-Y319 HydrophobicContact CD-CE2 4.31Å; K199-Y319 HydrophobicContact CD-CG 4.3Å; K199-Y319 HydrophobicContact CG-CD1 4.12Å; K199-Y319 HydrophobicContact CG-CD2 4.05Å; K199-Y319 HydrophobicContact CG-CE1 4.45Å; K199-Y319 HydrophobicContact CG-CE2 4.37Å; K199-Y319 HydrophobicContact CG-CG 3.92Å |
| 200 | I | 96.1 | Very high | 92.2 | Very high | 26 Ų | 26 | 47.1 Ų | 47.1 | 13% | 0.133 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 144 | 169.9 | -59.4 | 175.1 | 0 | 0 | 0 | 109.3 | I130 L170 V171 W185 L188 F189 | I130-I200 HydrophobicContact CD1-CD1 4.22Å; I130-I200 HydrophobicContact CD1-CG1 4.01Å; I130-I200 HydrophobicContact CD1-CG2 4.43Å; L170-I200 HydrophobicContact CD1-CG2 3.99Å; L170-I200 HydrophobicContact CD2-CD1 4.31Å; L170-I200 HydrophobicContact CD2-CG2 3.37Å; L170-I200 HydrophobicContact CG-CG2 3.47Å; L170-I200 VanDerWaalsContact CG-CG2 3.47Å; V171-I200 WeakPolarHBondContact O-CA 3.44Å; W185-I200 HydrophobicContact CH2-CB 4.28Å; W185-I200 HydrophobicContact CH2-CD1 3.67Å; W185-I200 HydrophobicContact CH2-CG1 3.96Å; W185-I200 HydrophobicContact CZ2-CD1 3.63Å; W185-I200 HydrophobicContact CZ2-CG1 3.79Å; W185-I200 HydrophobicContact CZ3-CD1 4.26Å; L188-I200 HydrophobicContact CD1-CD1 3.99Å; F189-I200 HydrophobicContact CE1-CD1 4.17Å; F189-I200 HydrophobicContact CE1-CG1 4.31Å; F189-I200 HydrophobicContact CE2-CD1 4.23Å; F189-I200 HydrophobicContact CZ-CD1 3.55Å; F189-I200 HydrophobicContact CZ-CG1 3.89Å |
| 201 | S | 95.9 | Very high | 92.4 | Very high | 22 Ų | 22 | 39.5 Ų | 39.5 | 15% | 0.154 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 165.2 | 165.1 | -163.1 | 0 | 0 | 0 | 0 | 111.1 | V171 L321 | V171-S201 PolarHBondContact N-O 2.88Å; V171-S201 PolarHBondContact O-N 3.28Å; S201-L321 WeakPolarHBondContact OG-CD1 3.24Å; S201-L321 WeakPolarHBondContact OG-CD2 3.09Å |
| 202 | R | 94.4 | Very high | 92.5 | Very high | 134 Ų | 134 | 33.9 Ų | 33.9 | 51% | 0.506 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 138.2 | 176.5 | 58.8 | 171 | -178.7 | 76.8 | 0.2 | 111 | I168 Q169 | I168-R202 HydrophobicContact CG2-CB 3.71Å; Q169-R202 CarbonylContact O-C 3.56Å; Q169-R202 WeakPolarHBondContact O-CA 3.27Å |
| 203 | F | 95.7 | Very high | 92.7 | Very high | 13 Ų | 13 | 35.1 Ų | 35.1 | 6% | 0.057 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 144.8 | 171.9 | -65.2 | -80.4 | 0 | 0 | 0 | 109.6 | G98 L99 I100 I168 Q169 V171 V205 L321 N323 | G98-F203 WeakPolarHBondContact O-CE2 3.18Å; L99-F203 WeakPolarHBondContact O-CZ 3.38Å; I100-F203 HydrophobicContact CG1-CE2 4.16Å; I100-F203 HydrophobicContact CG1-CZ 4.27Å; I168-F203 WeakPolarHBondContact CA-O 3.28Å; Q169-F203 PolarHBondContact N-O 3.33Å; Q169-F203 PolarHBondContact O-N 2.79Å; V171-F203 HydrophobicContact CB-CD2 4.09Å; V171-F203 HydrophobicContact CB-CE2 3.95Å; V171-F203 HydrophobicContact CG1-CE2 4.46Å; V171-F203 HydrophobicContact CG2-CD2 3.74Å; V171-F203 HydrophobicContact CG2-CE2 4.02Å; F203-V205 HydrophobicContact CB-CG2 4.12Å; F203-L321 HydrophobicContact CE1-CB 4.24Å; F203-L321 HydrophobicContact CZ-CB 4.35Å; F203-L321 HydrophobicContact CZ-CD2 4.02Å; F203-N323 HydrophobicContact CD1-CB 4.45Å; F203-N323 HydrophobicContact CE1-CB 4.45Å |
| 204 | L | 94 | Very high | 92.8 | Very high | 23 Ų | 23 | 32.1 Ų | 32.1 | 12% | 0.12 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 122.2 | 170.7 | -62.7 | 178.4 | 0 | 0 | 0 | 107.1 | Q95 W160 W166 G167 I168 W326 | Q95-L204 WeakPolarHBondContact CG-O 3.42Å; W160-L204 HydrophobicContact CD2-CD1 4.38Å; W160-L204 HydrophobicContact CE3-CD2 4.21Å; W160-L204 HydrophobicContact CH2-CD2 3.62Å; W160-L204 HydrophobicContact CZ2-CD1 4.4Å; W160-L204 HydrophobicContact CZ2-CD2 4.13Å; W160-L204 HydrophobicContact CZ3-CD2 3.65Å; W166-L204 HydrophobicContact CB-CB 4.17Å; W166-L204 HydrophobicContact CE3-CB 4.38Å; W166-L204 HydrophobicContact CE3-CD1 3.85Å; W166-L204 HydrophobicContact CG-CB 4.47Å; W166-L204 HydrophobicContact CZ3-CD1 4.21Å; G167-L204 WeakPolarHBondContact O-CA 3.02Å; I168-L204 HydrophobicContact CG1-CD2 4.29Å; L204-W326 HydrophobicContact CD1-CH2 3.9Å; L204-W326 HydrophobicContact CD1-CZ2 4.03Å |
| 205 | V | 94.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 138.2 | -172.6 | 177.9 | 0 | 0 | 0 | 0 | 108.6 | Q95 C97 W166 G167 Q169 F203 A209 | Q95-V205 CarbonylContact O-C 3.51Å; Q95-V205 VanDerWaalsContact O-CA 3.28Å; Q95-V205 WeakPolarHBondContact O-CA 3.17Å; Q95-V205 WeakPolarHBondContact O-CG1 3.49Å; C97-V205 HydrophobicContact CB-CG2 3.93Å; W166-V205 CarbonylContact C-O 3.14Å; W166-V205 WeakPolarHBondContact CA-O 3.32Å; G167-V205 WeakPolarHBondContact CA-O 3.39Å; G167-V205 PolarHBondContact N-O 2.95Å; G167-V205 PolarHBondContact O-N 3.16Å; Q169-V205 HydrophobicContact CB-CB 4.15Å; Q169-V205 HydrophobicContact CB-CG2 3.53Å; F203-V205 HydrophobicContact CB-CG2 4.12Å; V205-A209 HydrophobicContact CG1-CB 4.09Å; V205-A209 WeakPolarHBondContact CG1-O 3.47Å |
| 206 | S | 93.8 | Very high | 93 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.007 | 16% | 0.159 | C | C | . | . | trans | -76.7 | 150.9 | 174.9 | 57.3 | 0 | 0 | 0 | 0 | 110.5 | T94 Q95 D208 A209 A210 | T94-S206 WeakPolarHBondContact CA-OG 3.43Å; Q95-S206 PolarHBondContact N-OG 3.11Å; Q95-S206 PolarHBondContact O-N 2.89Å; Q95-S206 PolarHBondContact O-OG 3.33Å; S206-D208 VanDerWaalsContact C-OD1 3.29Å; S206-D208 WeakPolarHBondContact CB-OD1 3.5Å; S206-D208 PolarHBondContact O-N 2.9Å; S206-D208 VanDerWaalsContact O-N 3.17Å; S206-D208 PolarHBondContact OG-OD1 3.36Å; S206-A209 PolarHBondContact O-N 3Å; S206-A210 PolarHBondContact O-N 3.03Å | ||
| 207 | P | 92.9 | Very high | 93.1 | Very high | 74 Ų | 74 | 32.1 Ų | 32.1 | 48% | 0.481 | 16% | 0.158 | S | C | . | . | G | 310 helix | trans | -59.3 | -30 | -173 | -25.2 | 34.7 | 0 | 0 | 0 | 115.6 | Y132 P135 A209 A210 | Y132-P207 WeakPolarHBondContact OH-CA 3.49Å; P135-P207 HydrophobicContact CG-CG 3.78Å; P207-A209 VanDerWaalsContact C-N 3.31Å; P207-A210 WeakPolarHBondContact O-CB 3.45Å |
| 208 | D | 92.4 | Very high | 93.1 | Very high | 32 Ų | 32 | 34.5 Ų | 34.5 | 17% | 0.171 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -68.2 | -25 | 174.6 | 57.4 | -33.3 | 0 | 0 | 0 | 113.7 | V87 T90 T94 S206 | V87-D208 HydrophobicContact CB-CB 4.07Å; V87-D208 HydrophobicContact CG1-CB 4.09Å; V87-D208 HydrophobicContact CG2-CB 4.38Å; T90-D208 PolarHBondContact OG1-OD2 3.41Å; T94-D208 VanDerWaalsContact CB-OD2 3.3Å; T94-D208 WeakPolarHBondContact CB-OD2 3.41Å; T94-D208 WeakPolarHBondContact CG2-OD2 3.26Å; T94-D208 PolarHBondContact OG1-OD2 3.4Å; S206-D208 VanDerWaalsContact C-OD1 3.29Å; S206-D208 WeakPolarHBondContact CB-OD1 3.5Å; S206-D208 PolarHBondContact O-N 2.9Å; S206-D208 VanDerWaalsContact O-N 3.17Å; S206-D208 PolarHBondContact OG-OD1 3.36Å |
| 209 | A | 94 | Very high | 93.1 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -108.6 | 18.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | T94 R96 V205 S206 P207 V341 | T94-A209 HydrophobicContact CG2-CB 4.03Å; R96-A209 HydrophobicContact CB-CB 4.19Å; V205-A209 HydrophobicContact CG1-CB 4.09Å; V205-A209 WeakPolarHBondContact CG1-O 3.47Å; S206-A209 PolarHBondContact O-N 3Å; P207-A209 VanDerWaalsContact C-N 3.31Å; A209-V341 HydrophobicContact CB-CG1 4.19Å |
| 210 | A | 93.7 | Very high | 93 | Very high | 9 Ų | 9 | 27.2 Ų | 27.2 | 7% | 0.074 | 15% | 0.148 | C | C | . | . | trans | -67.8 | 143.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | W84 Y132 S206 P207 | W84-A210 HydrophobicContact CE3-CB 4.19Å; W84-A210 HydrophobicContact CZ3-CB 3.67Å; Y132-A210 HydrophobicContact CD1-CB 3.8Å; Y132-A210 HydrophobicContact CD2-CB 3.88Å; Y132-A210 HydrophobicContact CE1-CB 3.62Å; Y132-A210 HydrophobicContact CE2-CB 3.72Å; Y132-A210 HydrophobicContact CG-CB 3.92Å; S206-A210 PolarHBondContact O-N 3.03Å; P207-A210 WeakPolarHBondContact O-CB 3.45Å | ||
| 211 | L | 92.5 | Very high | 93 | Very high | 3 Ų | 3 | 26 Ų | 26 | 2% | 0.016 | 14% | 0.142 | C | C | . | . | trans | -109.3 | 139.6 | -178.8 | -71.3 | 160 | 0 | 0 | 0 | 110.9 | W84 C97 A129 Q169 T215 L217 P342 T343 | W84-L211 VanDerWaalsContact CZ3-C 3.46Å; C97-L211 HydrophobicContact CB-CD1 3.78Å; A129-L211 HydrophobicContact CB-CB 3.87Å; A129-L211 HydrophobicContact CB-CD1 4.4Å; Q169-L211 PolarHBondContact NE2-O 2.74Å; L211-T215 HydrophobicContact CD2-CG2 4.12Å; L211-L217 HydrophobicContact CD1-CD2 3.87Å; L211-P342 HydrophobicContact CD2-CB 3.77Å; L211-P342 HydrophobicContact CD2-CG 3.77Å; L211-P342 HydrophobicContact CG-CB 4.24Å; L211-T343 HydrophobicContact CD1-CG2 3.6Å; L211-T343 HydrophobicContact CD2-CG2 3.55Å; L211-T343 HydrophobicContact CG-CG2 4.08Å | ||
| 212 | K | 90.6 | Very high | 93 | Very high | 43 Ų | 43 | 25 Ų | 25 | 19% | 0.187 | 14% | 0.135 | C | C | . | . | trans | -62.5 | 140.2 | 172.6 | -162.9 | 173 | -174.6 | 172.1 | 0 | 109.2 | I80 E82 A129 G214 T215 | I80-K212 HydrophobicContact CB-CD 4.02Å; I80-K212 HydrophobicContact CD1-CD 3.64Å; I80-K212 HydrophobicContact CD1-CG 3.9Å; I80-K212 HydrophobicContact CG1-CD 4.44Å; I80-K212 HydrophobicContact CG2-CD 4.08Å; E82-K212 VanDerWaalsContact O-CD 3.31Å; E82-K212 WeakPolarHBondContact O-CD 3.22Å; E82-K212 PolarHBondContact O-NZ 3.49Å; A129-K212 WeakPolarHBondContact CB-O 3.41Å; K212-G214 PolarHBondContact O-N 3.21Å; K212-T215 PolarHBondContact O-N 2.8Å; K212-T215 PolarHBondContact O-OG1 2.72Å | ||
| 213 | P | 90.6 | Very high | 93 | Very high | 39 Ų | 39 | 22 Ų | 22 | 25% | 0.253 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 139.3 | 169.3 | 28 | -38.5 | 0 | 0 | 0 | 109.4 | I80 A129 I130 A192 | I80-P213 WeakPolarHBondContact CD1-O 3.5Å; A129-P213 CarbonylContact O-C 3.58Å; A129-P213 WeakPolarHBondContact O-CA 3.46Å; I130-P213 WeakPolarHBondContact O-CB 3.1Å; A192-P213 HydrophobicContact CB-CB 3.9Å |
| 214 | G | 88.6 | Confident | 93.1 | Very high | 2 Ų | 2 | 23 Ų | 23 | 2% | 0.021 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 99.2 | -18 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | H128 A129 K212 P216 | H128-G214 PolarHBondContact CD2-O 3.08Å; A129-G214 PolarHBondContact O-N 2.93Å; K212-G214 PolarHBondContact O-N 3.21Å; G214-P216 WeakPolarHBondContact O-CD 3.38Å |
| 215 | T | 89.6 | Confident | 93.2 | Very high | 13 Ų | 13 | 22.9 Ų | 22.9 | 8% | 0.08 | 14% | 0.136 | C | C | . | . | trans | -69.4 | 125.7 | -174.6 | -55.3 | 0 | 0 | 0 | 0 | 112.1 | H128 A129 L211 K212 F345 | H128-T215 WeakPolarHBondContact CA-O 3.4Å; A129-T215 PolarHBondContact N-O 2.93Å; L211-T215 HydrophobicContact CD2-CG2 4.12Å; K212-T215 PolarHBondContact O-N 2.8Å; K212-T215 PolarHBondContact O-OG1 2.72Å; T215-F345 HydrophobicContact CG2-CE1 3.78Å; T215-F345 HydrophobicContact CG2-CZ 4.33Å | ||
| 216 | P | 90.2 | Very high | 93.2 | Very high | 36 Ų | 36 | 23.7 Ų | 23.7 | 23% | 0.234 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 147.5 | 174.9 | 32.5 | -37.2 | 0 | 0 | 0 | 111.1 | G214 | G214-P216 WeakPolarHBondContact O-CD 3.38Å |
| 217 | L | 92.9 | Very high | 93.4 | Very high | 9 Ų | 9 | 25.9 Ų | 25.9 | 5% | 0.047 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 112 | 179.8 | -61.2 | 176.4 | 0 | 0 | 0 | 110.6 | L99 N127 V171 L211 T343 | L99-L217 HydrophobicContact CD2-CB 3.52Å; L99-L217 HydrophobicContact CD2-CD1 3.79Å; L99-L217 HydrophobicContact CD2-CG 4.17Å; N127-L217 HydrophobicContact CB-CB 3.86Å; N127-L217 PolarHBondContact O-N 2.78Å; V171-L217 HydrophobicContact CG1-CD1 3.96Å; V171-L217 HydrophobicContact CG2-CD1 4.09Å; L211-L217 HydrophobicContact CD1-CD2 3.87Å; L217-T343 HydrophobicContact CD2-CG2 3.29Å |
| 218 | S | 92.4 | Very high | 93.6 | Very high | 49 Ų | 49 | 22.4 Ų | 22.4 | 34% | 0.343 | 13% | 0.126 | S | C | . | . | trans | -94.2 | 173.6 | 178.9 | 66.3 | 0 | 0 | 0 | 0 | 112.6 | N220 H221 | S218-N220 PolarHBondContact O-N 2.82Å; S218-H221 VanDerWaalsContact O-CB 3.27Å; S218-H221 WeakPolarHBondContact O-CB 3.45Å; S218-H221 PolarHBondContact O-N 3.33Å | ||
| 219 | V | 94.7 | Very high | 93.8 | Very high | 5 Ų | 5 | 21 Ų | 21 | 3% | 0.03 | 12% | 0.119 | C | C | . | . | G | 310 helix | trans | -59.9 | -37 | 175.6 | -173.4 | 0 | 0 | 0 | 0 | 112.8 | I124 H221 F222 I299 G304 I306 | I124-V219 HydrophobicContact CB-CG2 4.01Å; I124-V219 HydrophobicContact CD1-CB 4.03Å; I124-V219 HydrophobicContact CD1-CG1 3.98Å; I124-V219 HydrophobicContact CD1-CG2 3.79Å; I124-V219 HydrophobicContact CG1-CG2 4.38Å; V219-H221 PolarHBondContact O-N 2.92Å; V219-F222 PolarHBondContact O-N 3.21Å; V219-I299 HydrophobicContact CB-CG2 4.4Å; V219-I299 HydrophobicContact CG1-CB 4.41Å; V219-I299 HydrophobicContact CG1-CD1 4.43Å; V219-I299 HydrophobicContact CG1-CG1 4.29Å; V219-I299 HydrophobicContact CG1-CG2 3.47Å; V219-I299 VanDerWaalsContact CG1-CG2 3.47Å; V219-G304 WeakPolarHBondContact CG2-O 3.29Å; V219-I306 HydrophobicContact CG1-CD1 3.94Å; V219-I306 HydrophobicContact CG1-CG1 3.49Å; V219-I306 VanDerWaalsContact CG1-CG1 3.49Å |
| 220 | N | 93.7 | Very high | 94 | Very high | 38 Ų | 38 | 21 Ų | 21 | 20% | 0.203 | 12% | 0.119 | C | C | . | . | G | 310 helix | trans | -63.5 | -6.8 | -178.2 | -65.8 | -8.7 | 0 | 0 | 0 | 113 | S218 F222 Y344 | S218-N220 PolarHBondContact O-N 2.82Å; N220-F222 CarbonylContact C-O 3.46Å; N220-F222 PolarHBondContact O-N 2.91Å; N220-Y344 HydrophobicContact CB-CD1 3.34Å; N220-Y344 HydrophobicContact CB-CD2 4.05Å; N220-Y344 HydrophobicContact CB-CE1 3.67Å; N220-Y344 HydrophobicContact CB-CE2 4.35Å; N220-Y344 HydrophobicContact CB-CG 3.53Å; N220-Y344 WeakPolarHBondContact ND2-CE1 3.4Å; N220-Y344 VanDerWaalsContact O-CB 3.28Å; N220-Y344 WeakPolarHBondContact O-CB 3.48Å |
| 221 | H | 94.9 | Very high | 94.2 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | -51.1 | -40.9 | 162.6 | -173.9 | 66.1 | 0 | 0 | 0 | 111.2 | R96 C97 L99 S218 V219 P342 T343 | R96-H221 PolarHBondContact NH1-O 2.64Å; C97-H221 PolarHBondContact O-NE2 3.38Å; L99-H221 HydrophobicContact CD1-CB 4.07Å; L99-H221 HydrophobicContact CD2-CB 4.46Å; S218-H221 VanDerWaalsContact O-CB 3.27Å; S218-H221 WeakPolarHBondContact O-CB 3.45Å; S218-H221 PolarHBondContact O-N 3.33Å; V219-H221 PolarHBondContact O-N 2.92Å; H221-P342 PolarHBondContact CE1-O 2.94Å; H221-T343 WeakPolarHBondContact ND1-CA 3.4Å; H221-T343 WeakPolarHBondContact ND1-CG2 3.16Å |
| 222 | F | 96.5 | Very high | 94.5 | Very high | 2 Ų | 2 | 21.7 Ų | 21.7 | 1% | 0.009 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -98.2 | 153.2 | 172.4 | -58.6 | -64.9 | 0 | 0 | 0 | 111.4 | L99 V219 N220 L228 I296 I299 I306 L322 D324 | L99-F222 HydrophobicContact CB-CE2 3.99Å; L99-F222 HydrophobicContact CD1-CD2 3.8Å; L99-F222 HydrophobicContact CD1-CE2 3.54Å; L99-F222 HydrophobicContact CG-CD2 4.34Å; L99-F222 HydrophobicContact CG-CE2 3.6Å; L99-F222 HydrophobicContact CG-CZ 4.19Å; V219-F222 PolarHBondContact O-N 3.21Å; N220-F222 CarbonylContact C-O 3.46Å; N220-F222 PolarHBondContact O-N 2.91Å; F222-L228 HydrophobicContact CD1-CD2 3.48Å; F222-L228 VanDerWaalsContact CD1-CD2 3.48Å; F222-L228 HydrophobicContact CD2-CD2 4.39Å; F222-L228 HydrophobicContact CE1-CD2 3.33Å; F222-L228 HydrophobicContact CE2-CD2 4.24Å; F222-L228 HydrophobicContact CG-CD2 4.03Å; F222-L228 HydrophobicContact CZ-CD2 3.73Å; F222-I296 HydrophobicContact CB-CD1 3.42Å; F222-I296 VanDerWaalsContact CB-CD1 3.42Å; F222-I296 HydrophobicContact CG-CD1 3.99Å; F222-I299 VanDerWaalsContact O-CD1 3.31Å; F222-I299 WeakPolarHBondContact O-CD1 3.35Å; F222-I306 HydrophobicContact CB-CD1 4.47Å; F222-I306 HydrophobicContact CD2-CD1 3.67Å; F222-I306 HydrophobicContact CE2-CD1 4.43Å; F222-I306 HydrophobicContact CG-CD1 4.49Å; F222-L322 HydrophobicContact CE2-CB 3.96Å; F222-L322 HydrophobicContact CZ-CB 4.14Å; F222-D324 WeakPolarHBondContact CE1-OD1 3.44Å |
| 223 | R | 95.6 | Very high | 94.7 | Very high | 69 Ų | 69 | 26 Ų | 26 | 26% | 0.26 | 14% | 0.137 | S | C | . | . | trans | -111.5 | 153.8 | 174.1 | -60.6 | 172.5 | -62.9 | 172.4 | 10.2 | 110.2 | G225 D226 N337 P338 P339 | R223-G225 PolarHBondContact O-N 3.38Å; R223-D226 PolarHBondContact N-OD2 2.82Å; R223-D226 IonicContact NE-OD1 3.02Å; R223-D226 IonicContact NE-OD2 3.79Å; R223-D226 IonicContact NH2-OD1 3.69Å; R223-D226 PolarHBondContact NH2-OD1 2.79Å; R223-D226 VanDerWaalsContact O-CB 3.29Å; R223-D226 WeakPolarHBondContact O-CB 3.4Å; R223-D226 PolarHBondContact O-N 3.14Å; R223-D226 VanDerWaalsContact O-N 3.11Å; R223-N337 PolarHBondContact NH1-OD1 2.77Å; R223-N337 PolarHBondContact NH2-O 3.11Å; R223-P338 PolarHBondContact NH1-O 2.83Å; R223-P338 VanDerWaalsContact NH2-C 3.34Å; R223-P338 PolarHBondContact NH2-O 2.93Å; R223-P339 VanDerWaalsContact NH2-N 3.19Å | ||
| 224 | V | 96.6 | Very high | 95.1 | Very high | 34 Ų | 34 | 25.9 Ų | 25.9 | 21% | 0.206 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | 135.3 | 171.6 | 178.2 | 0 | 0 | 0 | 0 | 109.3 | I299 I374 H376 | V224-I299 HydrophobicContact CG2-CB 3.9Å; V224-I299 HydrophobicContact CG2-CD1 3.9Å; V224-I299 HydrophobicContact CG2-CG1 3.84Å; V224-I374 HydrophobicContact CB-CG2 4.28Å; V224-I374 HydrophobicContact CG2-CB 3.9Å; V224-I374 HydrophobicContact CG2-CG2 3.63Å; V224-I374 WeakPolarHBondContact CG2-O 3.46Å; V224-H376 VanDerWaalsContact CG1-CA 3.43Å; V224-H376 HydrophobicContact CG1-CB 3.52Å; V224-H376 VanDerWaalsContact CG1-N 3.34Å |
| 225 | G | 96 | Very high | 95.5 | Very high | 22 Ų | 22 | 30.5 Ų | 30.5 | 23% | 0.227 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90.6 | -16.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115 | R223 I296 | R223-G225 PolarHBondContact O-N 3.38Å; G225-I296 PolarHBondContact N-O 3.04Å |
| 226 | D | 96 | Very high | 95.8 | Very high | 16 Ų | 16 | 34.4 Ų | 34.4 | 9% | 0.086 | 18% | 0.179 | C | C | . | . | trans | -65.8 | 152.9 | 173.8 | -72.7 | -19.4 | 0 | 0 | 0 | 110.7 | R96 R223 M295 I296 | R96-D226 IonicContact NH2-OD2 2.67Å; R223-D226 PolarHBondContact N-OD2 2.82Å; R223-D226 IonicContact NE-OD1 3.02Å; R223-D226 IonicContact NE-OD2 3.79Å; R223-D226 IonicContact NH2-OD1 3.69Å; R223-D226 PolarHBondContact NH2-OD1 2.79Å; R223-D226 VanDerWaalsContact O-CB 3.29Å; R223-D226 WeakPolarHBondContact O-CB 3.4Å; R223-D226 PolarHBondContact O-N 3.14Å; R223-D226 VanDerWaalsContact O-N 3.11Å; D226-M295 CarbonylContact O-C 3.5Å; D226-M295 WeakPolarHBondContact O-CA 3.22Å; D226-I296 HydrophobicContact CB-CD1 4.31Å; D226-I296 PolarHBondContact O-N 2.84Å | ||
| 227 | Y | 97.3 | Very high | 96.1 | Very high | 48 Ų | 48 | 39.3 Ų | 39.3 | 19% | 0.188 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 129.2 | 178.7 | -70.7 | -93.5 | 0 | 0 | 0 | 112 | G293 V294 M295 S325 R330 | Y227-G293 WeakPolarHBondContact CD1-O 3.29Å; Y227-V294 CarbonylContact C-O 3.5Å; Y227-V294 WeakPolarHBondContact CA-O 3.5Å; Y227-M295 HydrophobicContact CD1-CB 3.99Å; Y227-M295 HydrophobicContact CE1-CB 3.73Å; Y227-M295 HydrophobicContact CE1-CG 4.26Å; Y227-S325 WeakPolarHBondContact O-CB 3.12Å; Y227-S325 PolarHBondContact O-N 3.26Å; Y227-R330 HydrophobicContact CD1-CG 4.17Å; Y227-R330 HydrophobicContact CD2-CG 4.43Å; Y227-R330 VanDerWaalsContact CE1-NE 3.31Å; Y227-R330 HydrophobicContact CG-CB 4.28Å; Y227-R330 HydrophobicContact CG-CG 3.97Å; Y227-R330 PolarHBondContact OH-NH1 2.81Å |
| 228 | L | 97 | Very high | 96.3 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 148.2 | -178.9 | -59 | -178.2 | 0 | 0 | 0 | 112.7 | F222 I230 G293 V294 I296 L322 N323 | F222-L228 HydrophobicContact CD1-CD2 3.48Å; F222-L228 VanDerWaalsContact CD1-CD2 3.48Å; F222-L228 HydrophobicContact CD2-CD2 4.39Å; F222-L228 HydrophobicContact CE1-CD2 3.33Å; F222-L228 HydrophobicContact CE2-CD2 4.24Å; F222-L228 HydrophobicContact CG-CD2 4.03Å; F222-L228 HydrophobicContact CZ-CD2 3.73Å; L228-I230 HydrophobicContact CB-CG1 4.32Å; L228-G293 PolarHBondContact O-N 3.39Å; L228-V294 PolarHBondContact N-O 2.95Å; L228-V294 PolarHBondContact O-N 3.06Å; L228-I296 HydrophobicContact CD1-CD1 3.6Å; L228-I296 HydrophobicContact CD1-CG1 3.61Å; L228-I296 HydrophobicContact CD2-CD1 4.11Å; L228-I296 HydrophobicContact CG-CD1 3.79Å; L228-I296 HydrophobicContact CG-CG1 3.81Å; L228-L322 HydrophobicContact CD1-CB 4.38Å; L228-L322 HydrophobicContact CD1-CD1 4.4Å; L228-L322 HydrophobicContact CD1-CD2 4.41Å; L228-N323 CarbonylContact C-O 3.57Å; L228-N323 VanDerWaalsContact CA-O 3.29Å; L228-N323 WeakPolarHBondContact CA-O 3.48Å |
| 229 | D | 97.6 | Very high | 96.6 | Very high | 4 Ų | 4 | 45.3 Ų | 45.3 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 129.2 | 155.9 | -70.9 | 0.8 | 0 | 0 | 0 | 107.8 | L291 R292 G293 N323 S325 W326 | D229-L291 CarbonylContact C-O 3.55Å; D229-L291 WeakPolarHBondContact CA-O 3.29Å; D229-R292 HydrophobicContact CB-CG 4.28Å; D229-R292 WeakPolarHBondContact OD1-CA 3.39Å; D229-R292 VanDerWaalsContact OD1-CB 3.26Å; D229-R292 WeakPolarHBondContact OD1-CB 3.31Å; D229-R292 IonicContact OD2-CZ 3Å; D229-R292 IonicContact OD2-NE 2.74Å; D229-R292 PolarHBondContact OD2-NE 2.92Å; D229-R292 IonicContact OD2-NH2 3.69Å; D229-G293 PolarHBondContact OD1-N 2.8Å; D229-N323 PolarHBondContact N-O 2.97Å; D229-N323 PolarHBondContact O-N 3.22Å; D229-N323 VanDerWaalsContact O-N 3.08Å; D229-N323 PolarHBondContact O-OD1 3.28Å; D229-S325 VanDerWaalsContact OD1-CA 3.29Å; D229-S325 WeakPolarHBondContact OD1-CA 3.38Å; D229-S325 VanDerWaalsContact OD1-CB 3.25Å; D229-S325 WeakPolarHBondContact OD1-CB 3Å; D229-S325 PolarHBondContact OD1-OG 2.8Å; D229-W326 PolarHBondContact OD2-N 2.74Å; D229-W326 VanDerWaalsContact OD2-N 3.08Å |
| 230 | I | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 114.4 | -174.5 | -56.2 | -177.8 | 0 | 0 | 0 | 108.4 | F122 L228 S290 L291 V308 T312 C320 L321 L322 | F122-I230 HydrophobicContact CE1-CG2 4.46Å; F122-I230 HydrophobicContact CE2-CD1 3.6Å; F122-I230 HydrophobicContact CZ-CD1 3.94Å; F122-I230 HydrophobicContact CZ-CG2 3.85Å; L228-I230 HydrophobicContact CB-CG1 4.32Å; I230-S290 CarbonylContact O-C 3.58Å; I230-S290 VanDerWaalsContact O-CA 3.23Å; I230-S290 WeakPolarHBondContact O-CA 3.41Å; I230-L291 HydrophobicContact CB-CB 4.46Å; I230-L291 HydrophobicContact CD1-CD2 4.48Å; I230-L291 PolarHBondContact N-O 3.5Å; I230-L291 PolarHBondContact O-N 3.41Å; I230-V308 HydrophobicContact CD1-CB 4.34Å; I230-V308 HydrophobicContact CD1-CG1 3.81Å; I230-V308 HydrophobicContact CD1-CG2 4.26Å; I230-T312 HydrophobicContact CD1-CG2 3.86Å; I230-T312 HydrophobicContact CG2-CG2 4.39Å; I230-C320 HydrophobicContact CG2-CB 4.29Å; I230-L321 CarbonylContact C-O 3.59Å; I230-L321 WeakPolarHBondContact CA-O 3.42Å; I230-L322 HydrophobicContact CB-CD2 4.22Å; I230-L322 HydrophobicContact CD1-CD2 4.06Å; I230-L322 HydrophobicContact CG1-CD2 3.66Å; I230-L322 HydrophobicContact CG2-CD2 3.94Å |
| 231 | T | 97.7 | Very high | 96.9 | Very high | 25 Ų | 25 | 47.2 Ų | 47.2 | 15% | 0.153 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 124.4 | -178.9 | -54.6 | 0 | 0 | 0 | 0 | 111.2 | F288 R289 S290 L321 | T231-F288 HydrophobicContact CG2-CB 4.41Å; T231-F288 HydrophobicContact CG2-CD1 4.24Å; T231-R289 WeakPolarHBondContact CA-O 3.27Å; T231-S290 WeakPolarHBondContact CG2-OG 3.39Å; T231-S290 WeakPolarHBondContact OG1-CB 3.45Å; T231-S290 PolarHBondContact OG1-OG 2.89Å; T231-L321 PolarHBondContact N-O 3.2Å; T231-L321 PolarHBondContact O-N 3.03Å |
| 232 | A | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 167.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | F288 R289 P313 C320 | A232-F288 WeakPolarHBondContact O-CA 3.23Å; A232-R289 PolarHBondContact N-O 3.23Å; A232-R289 PolarHBondContact O-N 3.03Å; A232-P313 HydrophobicContact CB-CB 4.22Å; A232-P313 HydrophobicContact CB-CG 3.97Å; A232-P313 VanDerWaalsContact CB-O 3.27Å; A232-P313 WeakPolarHBondContact CB-O 3.27Å; A232-C320 HydrophobicContact CB-CB 4.23Å; A232-C320 VanDerWaalsContact CB-SG 3.56Å |
| 233 | R | 96.3 | Very high | 97 | Very high | 133 Ų | 133 | 48.9 Ų | 48.9 | 50% | 0.502 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 127.1 | 171.2 | -74.1 | -170.6 | 173.2 | 179.6 | -1.4 | 109.7 | R287 F288 G314 | R233-R287 WeakPolarHBondContact CA-O 3.43Å; R233-F288 HydrophobicContact CG-CD1 3.86Å; R233-F288 HydrophobicContact CG-CD2 4.21Å; R233-F288 HydrophobicContact CG-CE1 3.62Å; R233-F288 HydrophobicContact CG-CE2 3.99Å; R233-F288 HydrophobicContact CG-CG 4.16Å; R233-F288 HydrophobicContact CG-CZ 3.69Å; R233-G314 WeakPolarHBondContact O-CA 3.5Å |
| 234 | T | 97.2 | Very high | 97.1 | Very high | 38 Ų | 38 | 50 Ų | 50 | 23% | 0.233 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 154.8 | 174.7 | 54.8 | 0 | 0 | 0 | 0 | 112 | N236 G285 N286 R287 R289 P313 | T234-N236 PolarHBondContact O-N 2.66Å; T234-G285 WeakPolarHBondContact OG1-CA 3.13Å; T234-N286 WeakPolarHBondContact O-CA 3.29Å; T234-N286 PolarHBondContact O-N 2.76Å; T234-N286 PolarHBondContact OG1-N 2.96Å; T234-R287 PolarHBondContact N-O 3.09Å; T234-R287 PolarHBondContact OG1-N 3.11Å; T234-R287 PolarHBondContact OG1-O 2.75Å; T234-R289 HydrophobicContact CG2-CB 3.78Å; T234-R289 HydrophobicContact CG2-CG 3.55Å; T234-P313 HydrophobicContact CG2-CB 4.22Å |
| 235 | I | 97.3 | Very high | 97.2 | Very high | 98 Ų | 98 | 51 Ų | 51 | 50% | 0.503 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -52.4 | 129.4 | 176.3 | -60.2 | 171.3 | 0 | 0 | 0 | 109.4 | R237 G285 P315 | I235-R237 PolarHBondContact O-N 3.09Å; I235-G285 VanDerWaalsContact O-CA 3.22Å; I235-G285 WeakPolarHBondContact O-CA 3.25Å; I235-P315 HydrophobicContact CG1-CB 4.2Å |
| 236 | N | 96 | Very high | 97.2 | Very high | 96 Ų | 96 | 54.5 Ų | 54.5 | 51% | 0.513 | 26% | 0.261 | S | S | . | . | P | Polyproline II helix | trans | -74.9 | 121.4 | 176.6 | -173.3 | 13 | 0 | 0 | 0 | 109.7 | T234 G238 N286 | T234-N236 PolarHBondContact O-N 2.66Å; N236-G238 PolarHBondContact OD1-N 3.32Å; N236-N286 HydrophobicContact CB-CB 3.94Å |
| 237 | R | 96.7 | Very high | 97.2 | Very high | 139 Ų | 139 | 56.7 Ų | 56.7 | 53% | 0.525 | 29% | 0.288 | S | S | . | . | trans | -105.2 | 1.4 | 174.7 | -64.2 | -172.7 | 179.3 | -173.6 | -2.9 | 112.9 | I235 E240 M284 | I235-R237 PolarHBondContact O-N 3.09Å; R237-E240 HydrophobicContact CB-CG 4Å; R237-M284 HydrophobicContact CB-CB 4.37Å; R237-M284 PolarHBondContact N-O 3.03Å | ||
| 238 | G | 97.3 | Very high | 97.2 | Very high | 28 Ų | 28 | 57 Ų | 57 | 29% | 0.289 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 72.2 | -153.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | N236 E240 V283 M284 | N236-G238 PolarHBondContact OD1-N 3.32Å; G238-E240 PolarHBondContact O-N 3.27Å; G238-V283 CarbonylContact O-C 3.51Å; G238-V283 VanDerWaalsContact O-CA 3.26Å; G238-V283 WeakPolarHBondContact O-CA 3.26Å; G238-M284 PolarHBondContact O-N 2.8Å |
| 239 | F | 98 | Very high | 97.2 | Very high | 156 Ų | 156 | 67 Ų | 67 | 68% | 0.684 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 111.9 | 179.1 | -172.9 | -79.2 | 0 | 0 | 0 | 110.1 | A281 | F239-A281 HydrophobicContact CE1-CB 3.94Å; F239-A281 HydrophobicContact CZ-CB 4.03Å |
| 240 | E | 98 | Very high | 97 | Very high | 48 Ų | 48 | 68.2 Ų | 68.2 | 22% | 0.224 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 149 | -174.7 | -74.6 | -66.4 | -179.5 | 0 | 0 | 113.2 | R237 G238 R245 A281 G282 M284 | R237-E240 HydrophobicContact CB-CG 4Å; G238-E240 PolarHBondContact O-N 3.27Å; E240-R245 HydrophobicContact CB-CB 4.16Å; E240-A281 WeakPolarHBondContact O-CA 3.47Å; E240-A281 WeakPolarHBondContact O-CB 3.26Å; E240-G282 PolarHBondContact N-O 2.78Å; E240-G282 PolarHBondContact O-N 2.84Å; E240-M284 HydrophobicContact CB-CB 3.89Å; E240-M284 HydrophobicContact CB-SD 4.34Å; E240-M284 HydrophobicContact CG-CB 3.72Å; E240-M284 HydrophobicContact CG-CG 4.47Å; E240-M284 HydrophobicContact CG-SD 4.07Å |
| 241 | G | 97.2 | Very high | 96.8 | Very high | 35 Ų | 35 | 69 Ų | 69 | 36% | 0.361 | 36% | 0.357 | S | S | . | . | trans | -69.5 | 168.5 | 173 | 0 | 0 | 0 | 0 | 0 | 112.7 | I243 R245 | G241-I243 VanDerWaalsContact C-N 3.26Å; G241-I243 PolarHBondContact O-N 2.72Å; G241-R245 WeakPolarHBondContact O-CB 3.31Å; G241-R245 PolarHBondContact O-N 2.82Å | ||
| 242 | V | 97.3 | Very high | 96.7 | Very high | 8 Ų | 8 | 71.7 Ų | 71.7 | 5% | 0.048 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -66.7 | -25.6 | -177 | -69.7 | 0 | 0 | 0 | 0 | 114.5 | W246 M248 M264 A281 | V242-W246 WeakPolarHBondContact O-CB 3.36Å; V242-W246 PolarHBondContact O-N 3.34Å; V242-W246 VanDerWaalsContact O-N 3.11Å; V242-M248 HydrophobicContact CB-CB 4.5Å; V242-M248 HydrophobicContact CB-CE 4.47Å; V242-M248 HydrophobicContact CB-CG 4.31Å; V242-M248 HydrophobicContact CB-SD 3.63Å; V242-M248 HydrophobicContact CG1-SD 4.19Å; V242-M248 HydrophobicContact CG2-CB 4.44Å; V242-M248 HydrophobicContact CG2-SD 3.95Å; V242-M264 HydrophobicContact CG1-CB 3.99Å; V242-M264 HydrophobicContact CG2-CB 4.09Å; V242-A281 HydrophobicContact CG1-CB 4.35Å |
| 243 | I | 97.3 | Very high | 96.6 | Very high | 30 Ų | 30 | 76.3 Ų | 76.3 | 15% | 0.154 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -68.5 | -60.2 | 177.1 | -60.8 | -169.9 | 0 | 0 | 0 | 109.7 | G241 R245 G247 M248 R262 | G241-I243 VanDerWaalsContact C-N 3.26Å; G241-I243 PolarHBondContact O-N 2.72Å; I243-R245 VanDerWaalsContact C-N 3.35Å; I243-R245 PolarHBondContact O-N 2.82Å; I243-G247 WeakPolarHBondContact O-CA 3.49Å; I243-G247 PolarHBondContact O-N 2.9Å; I243-M248 WeakPolarHBondContact CG1-O 3.21Å; I243-R262 HydrophobicContact CD1-CB 3.84Å; I243-R262 HydrophobicContact CD1-CG 3.83Å |
| 244 | E | 97.4 | Very high | 96.4 | Very high | 91 Ų | 91 | 72.7 Ų | 72.7 | 43% | 0.425 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.6 | -38.7 | -179.2 | -60 | -50.6 | 139.3 | 0 | 0 | 112.7 | R262 | E244-R262 IonicContact OE1-NH2 3.42Å; E244-R262 PolarHBondContact OE1-NH2 2.95Å |
| 245 | R | 97.1 | Very high | 96.2 | Very high | 56 Ų | 56 | 79.9 Ų | 79.9 | 21% | 0.211 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -74.6 | -36.3 | -175.2 | -169.1 | 177.4 | -170.6 | -160.3 | 12.1 | 113.8 | E240 G241 I243 M280 A281 G282 V283 M284 | E240-R245 HydrophobicContact CB-CB 4.16Å; G241-R245 WeakPolarHBondContact O-CB 3.31Å; G241-R245 PolarHBondContact O-N 2.82Å; I243-R245 VanDerWaalsContact C-N 3.35Å; I243-R245 PolarHBondContact O-N 2.82Å; R245-M280 PolarHBondContact NH1-O 3.34Å; R245-A281 VanDerWaalsContact NH1-C 3.27Å; R245-A281 PolarHBondContact NH1-O 2.99Å; R245-A281 VanDerWaalsContact NH1-O 3.09Å; R245-G282 WeakPolarHBondContact CD-O 3.29Å; R245-G282 PolarHBondContact NE-O 3Å; R245-G282 VanDerWaalsContact NH1-CA 3.33Å; R245-V283 PolarHBondContact NE-O 2.71Å; R245-V283 PolarHBondContact NH2-O 2.82Å; R245-M284 HydrophobicContact CB-SD 4.41Å; R245-M284 HydrophobicContact CG-CB 4.32Å |
| 246 | W | 96.9 | Very high | 96 | Very high | 95 Ų | 95 | 78.6 Ų | 78.6 | 36% | 0.36 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -128.1 | -1.7 | -170.1 | -57.2 | 115.2 | 0 | 0 | 0 | 114.9 | V242 M248 R279 M280 | V242-W246 WeakPolarHBondContact O-CB 3.36Å; V242-W246 PolarHBondContact O-N 3.34Å; V242-W246 VanDerWaalsContact O-N 3.11Å; W246-M248 VanDerWaalsContact C-N 3.33Å; W246-M248 HydrophobicContact CB-CE 4.48Å; W246-M248 HydrophobicContact CB-CG 4.29Å; W246-R279 HydrophobicContact CB-CB 4.48Å; W246-R279 HydrophobicContact CD2-CB 3.76Å; W246-R279 HydrophobicContact CD2-CG 3.73Å; W246-R279 HydrophobicContact CE3-CB 4.4Å; W246-R279 HydrophobicContact CE3-CG 3.85Å; W246-R279 HydrophobicContact CG-CB 3.78Å; W246-R279 HydrophobicContact CG-CG 4.17Å; W246-R279 HydrophobicContact CH2-CG 4.42Å; W246-R279 HydrophobicContact CZ2-CB 4.41Å; W246-R279 HydrophobicContact CZ2-CG 4.33Å; W246-R279 HydrophobicContact CZ3-CG 4.19Å; W246-M280 PolarHBondContact NE1-O 2.9Å |
| 247 | G | 96.6 | Very high | 95.9 | Very high | 63 Ų | 63 | 75.2 Ų | 75.2 | 65% | 0.649 | 44% | 0.436 | S | S | * | . | trans | 67.8 | 28.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | I243 | I243-G247 WeakPolarHBondContact O-CA 3.49Å; I243-G247 PolarHBondContact O-N 2.9Å | ||
| 248 | M | 96.8 | Very high | 95.7 | Very high | 54 Ų | 54 | 74.1 Ų | 74.1 | 27% | 0.266 | 45% | 0.445 | S | S | . | . | trans | -68 | 143.8 | 175.5 | -68.2 | -171.2 | -176.9 | 0 | 0 | 110.7 | V242 I243 W246 G250 R279 | V242-M248 HydrophobicContact CB-CB 4.5Å; V242-M248 HydrophobicContact CB-CE 4.47Å; V242-M248 HydrophobicContact CB-CG 4.31Å; V242-M248 HydrophobicContact CB-SD 3.63Å; V242-M248 HydrophobicContact CG1-SD 4.19Å; V242-M248 HydrophobicContact CG2-CB 4.44Å; V242-M248 HydrophobicContact CG2-SD 3.95Å; I243-M248 WeakPolarHBondContact CG1-O 3.21Å; W246-M248 VanDerWaalsContact C-N 3.33Å; W246-M248 HydrophobicContact CB-CE 4.48Å; W246-M248 HydrophobicContact CB-CG 4.29Å; M248-G250 VanDerWaalsContact C-N 3.34Å; M248-G250 PolarHBondContact O-N 2.78Å; M248-R279 HydrophobicContact CE-CB 3.83Å | ||
| 249 | K | 96 | Very high | 95.5 | Very high | 211 Ų | 211 | 80.9 Ų | 80.9 | 92% | 0.917 | 47% | 0.467 | S | S | * | . | trans | -68.8 | -27.2 | -177.4 | -66.6 | -174 | 176.7 | -175.3 | 0 | 114.2 | ||||
| 250 | G | 94.3 | Very high | 95.3 | Very high | 29 Ų | 29 | 77.2 Ų | 77.2 | 30% | 0.299 | 45% | 0.451 | S | S | . | . | trans | 77 | -167 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | M248 H261 | M248-G250 VanDerWaalsContact C-N 3.34Å; M248-G250 PolarHBondContact O-N 2.78Å; G250-H261 CarbonylContact C-O 3.5Å; G250-H261 WeakPolarHBondContact CA-O 3.41Å | ||
| 251 | G | 94.4 | Very high | 95.1 | Very high | 17 Ų | 17 | 78.8 Ų | 78.8 | 18% | 0.175 | 46% | 0.458 | C | S | . | . | trans | -94.6 | 164.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | H261 | G251-H261 PolarHBondContact N-O 2.94Š| ||
| 252 | P | 95.9 | Very high | 95 | Very high | 81 Ų | 81 | 84.3 Ų | 84.3 | 53% | 0.526 | 47% | 0.467 | S | S | . | . | trans | -62.3 | 151.9 | 177.7 | 24.5 | -30.6 | 0 | 0 | 0 | 111.7 | S257 H261 | P252-S257 WeakPolarHBondContact O-CB 3.37Å; P252-S257 PolarHBondContact O-OG 3.28Å; P252-H261 PolarHBondContact O-ND1 3.21Å | ||
| 253 | A | 94.6 | Very high | 94.9 | Very high | 96 Ų | 96 | 91.1 Ų | 91.1 | 79% | 0.793 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -77.3 | -36.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 254 | A | 92.4 | Very high | 94.8 | Very high | 57 Ų | 57 | 93 Ų | 93 | 47% | 0.471 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -115.9 | -167.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 255 | H | 93.7 | Very high | 94.6 | Very high | 190 Ų | 190 | 90.3 Ų | 90.3 | 88% | 0.88 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.9 | 49.8 | 178 | -54.8 | -73.9 | 0 | 0 | 0 | 114.8 | S257 | H255-S257 VanDerWaalsContact C-N 3.28Å; H255-S257 PolarHBondContact O-N 3.15Å |
| 256 | G | 93 | Very high | 94.4 | Very high | 70 Ų | 70 | 92.3 Ų | 92.3 | 72% | 0.722 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.1 | 6.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | T258 | G256-T258 PolarHBondContact O-N 3.47Å; G256-T258 PolarHBondContact O-OG1 3.34Å; G256-T258 VanDerWaalsContact O-OG1 3.13Å |
| 257 | S | 93.3 | Very high | 94.1 | Very high | 26 Ų | 26 | 89.2 Ų | 89.2 | 18% | 0.182 | 52% | 0.516 | C | S | . | . | trans | -62.5 | 106.7 | 175.6 | -172.5 | 0 | 0 | 0 | 0 | 111.1 | P252 H255 H261 | P252-S257 WeakPolarHBondContact O-CB 3.37Å; P252-S257 PolarHBondContact O-OG 3.28Å; H255-S257 VanDerWaalsContact C-N 3.28Å; H255-S257 PolarHBondContact O-N 3.15Å; S257-H261 PolarHBondContact O-CE1 3.36Å; S257-H261 VanDerWaalsContact O-CE1 3.25Å; S257-H261 PolarHBondContact OG-ND1 3.29Å | ||
| 258 | T | 92.8 | Very high | 93.8 | Very high | 116 Ų | 116 | 88.3 Ų | 88.3 | 71% | 0.712 | 50% | 0.502 | S | S | * | . | trans | -102.7 | 111.8 | -176.7 | -50.3 | 0 | 0 | 0 | 0 | 110.3 | G256 F260 | G256-T258 PolarHBondContact O-N 3.47Å; G256-T258 PolarHBondContact O-OG1 3.34Å; G256-T258 VanDerWaalsContact O-OG1 3.13Å; T258-F260 PolarHBondContact O-N 3.43Å | ||
| 259 | K | 93 | Very high | 93.3 | Very high | 170 Ų | 170 | 88.5 Ų | 88.5 | 74% | 0.739 | 52% | 0.517 | S | S | * | . | S | Bend | trans | 55.6 | 20.9 | 175 | -59.4 | 178.5 | -179.4 | 177.4 | 0 | 115.4 | R263 | K259-R263 PolarHBondContact O-NE 3.06Š|
| 260 | F | 92.8 | Very high | 92.9 | Very high | 79 Ų | 79 | 91 Ų | 91 | 35% | 0.346 | 52% | 0.521 | S | S | . | . | trans | -108.4 | -6 | -174.5 | -176 | -102.8 | 0 | 0 | 0 | 114.5 | T258 R262 R263 | T258-F260 PolarHBondContact O-N 3.43Å; F260-R262 VanDerWaalsContact C-N 3.3Å; F260-R262 PolarHBondContact O-N 3Å; F260-R263 HydrophobicContact CD2-CB 3.66Å; F260-R263 HydrophobicContact CD2-CG 4.2Å; F260-R263 HydrophobicContact CE2-CB 3.68Å; F260-R263 HydrophobicContact CG-CB 4.44Å; F260-R263 HydrophobicContact CZ-CB 4.49Å; F260-R263 PolarHBondContact O-N 3.38Å; F260-R263 VanDerWaalsContact O-N 3.1Å | ||
| 261 | H | 94.6 | Very high | 92.4 | Very high | 80 Ų | 80 | 93.6 Ų | 93.6 | 37% | 0.37 | 55% | 0.548 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | -39.9 | -168.5 | -45.6 | -64.8 | 0 | 0 | 0 | 115.6 | G250 G251 P252 S257 | G250-H261 CarbonylContact C-O 3.5Å; G250-H261 WeakPolarHBondContact CA-O 3.41Å; G251-H261 PolarHBondContact N-O 2.94Å; P252-H261 PolarHBondContact O-ND1 3.21Å; S257-H261 PolarHBondContact O-CE1 3.36Å; S257-H261 VanDerWaalsContact O-CE1 3.25Å; S257-H261 PolarHBondContact OG-ND1 3.29Å |
| 262 | R | 96 | Very high | 92.1 | Very high | 151 Ų | 151 | 94.5 Ų | 94.5 | 57% | 0.57 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.8 | 13.3 | -177.3 | -56.2 | -173.9 | 65.5 | 86 | -8.1 | 114.6 | I243 E244 F260 | I243-R262 HydrophobicContact CD1-CB 3.84Å; I243-R262 HydrophobicContact CD1-CG 3.83Å; E244-R262 IonicContact OE1-NH2 3.42Å; E244-R262 PolarHBondContact OE1-NH2 2.95Å; F260-R262 VanDerWaalsContact C-N 3.3Å; F260-R262 PolarHBondContact O-N 3Å |
| 263 | R | 94.4 | Very high | 91.9 | Very high | 151 Ų | 151 | 96.5 Ų | 96.5 | 57% | 0.57 | 57% | 0.57 | S | S | * | * | trans | -79.4 | 162 | -179.3 | -66.3 | -170.3 | -178.7 | -167.8 | -2.2 | 111.2 | K259 F260 | K259-R263 PolarHBondContact O-NE 3.06Å; F260-R263 HydrophobicContact CD2-CB 3.66Å; F260-R263 HydrophobicContact CD2-CG 4.2Å; F260-R263 HydrophobicContact CE2-CB 3.68Å; F260-R263 HydrophobicContact CG-CB 4.44Å; F260-R263 HydrophobicContact CZ-CB 4.49Å; F260-R263 PolarHBondContact O-N 3.38Å; F260-R263 VanDerWaalsContact O-N 3.1Å | ||
| 264 | M | 95.2 | Very high | 91.7 | Very high | 69 Ų | 69 | 96.3 Ų | 96.3 | 34% | 0.34 | 56% | 0.555 | S | S | . | * | trans | -73.9 | -20.3 | -179.4 | 61.9 | 172.6 | -86.3 | 0 | 0 | 115.1 | V242 A267 M280 | V242-M264 HydrophobicContact CG1-CB 3.99Å; V242-M264 HydrophobicContact CG2-CB 4.09Å; M264-A267 HydrophobicContact CE-CB 3.34Å; M264-M280 HydrophobicContact CE-CE 4.29Å | ||
| 265 | G | 93.6 | Very high | 91.7 | Very high | 35 Ų | 35 | 98.9 Ų | 98.9 | 36% | 0.361 | 57% | 0.565 | S | S | . | * | trans | 74 | -142.2 | -168 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 266 | S | 92 | Very high | 91.4 | Very high | 99 Ų | 99 | 101.7 Ų | 101.7 | 69% | 0.692 | 57% | 0.568 | S | S | * | * | trans | -72.8 | 134.9 | -176.4 | -178.8 | 0 | 0 | 0 | 0 | 112.9 | A268 | S266-A268 PolarHBondContact OG-O 2.98Š| ||
| 267 | A | 91.6 | Very high | 91.3 | Very high | 30 Ų | 30 | 101.8 Ų | 101.8 | 25% | 0.248 | 57% | 0.569 | C | S | . | * | trans | -88.9 | -46.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | M264 I274 K278 M280 | M264-A267 HydrophobicContact CE-CB 3.34Å; A267-I274 HydrophobicContact CB-CG1 4.38Å; A267-K278 WeakPolarHBondContact O-CE 3.48Å; A267-K278 PolarHBondContact O-NZ 3.4Å; A267-K278 VanDerWaalsContact O-NZ 3.07Å; A267-M280 HydrophobicContact CB-CE 4.29Å | ||
| 268 | A | 89 | Confident | 91.3 | Very high | 43 Ų | 43 | 105 Ų | 105 | 36% | 0.355 | 58% | 0.58 | S | S | . | * | trans | -145.7 | 162.5 | -170.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | S266 I274 | S266-A268 PolarHBondContact OG-O 2.98Å; A268-I274 HydrophobicContact CB-CG1 4.38Å | ||
| 269 | G | 87.6 | Confident | 91.5 | Very high | 58 Ų | 58 | 106.4 Ų | 106.4 | 60% | 0.598 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -104.5 | 154 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | G271 G272 | G269-G271 PolarHBondContact O-N 2.83Å; G269-G271 VanDerWaalsContact O-N 3.14Å; G269-G272 PolarHBondContact O-N 2.67Å |
| 270 | R | 86.5 | Confident | 91.6 | Very high | 263 Ų | 263 | 101.2 Ų | 101.2 | 99% | 0.992 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 59.4 | 25 | 166.4 | -145 | -178.8 | -116.4 | -100.3 | 3.3 | 115.7 | G272 | R270-G272 PolarHBondContact O-N 3.08Š|
| 271 | G | 83.7 | Confident | 91.9 | Very high | 84 Ų | 84 | 99.5 Ų | 99.5 | 87% | 0.866 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 70.5 | 8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115 | G269 | G269-G271 PolarHBondContact O-N 2.83Å; G269-G271 VanDerWaalsContact O-N 3.14Å |
| 272 | G | 88.8 | Confident | 92 | Very high | 36 Ų | 36 | 96 Ų | 96 | 37% | 0.371 | 54% | 0.537 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 167.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | G269 R270 | G269-G272 PolarHBondContact O-N 2.67Å; R270-G272 PolarHBondContact O-N 3.08Å |
| 273 | P | 91.9 | Very high | 92 | Very high | 123 Ų | 123 | 92.3 Ų | 92.3 | 80% | 0.799 | 53% | 0.531 | S | S | * | . | P | Polyproline II helix | trans | -62.6 | 151.2 | 175.2 | 27.9 | -34.8 | 0 | 0 | 0 | 111.4 | V275 | P273-V275 PolarHBondContact O-N 3.44Š|
| 274 | I | 90.5 | Very high | 92.1 | Very high | 92 Ų | 92 | 87.3 Ų | 87.3 | 47% | 0.472 | 52% | 0.515 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 125.3 | 175.8 | -65.7 | 152.7 | 0 | 0 | 0 | 109.4 | A267 A268 R276 K278 M280 | A267-I274 HydrophobicContact CB-CG1 4.38Å; A268-I274 HydrophobicContact CB-CG1 4.38Å; I274-R276 PolarHBondContact O-N 2.79Å; I274-K278 HydrophobicContact CG2-CB 3.71Å; I274-K278 HydrophobicContact CG2-CG 4.1Å; I274-M280 HydrophobicContact CD1-CE 3.85Å; I274-M280 HydrophobicContact CG1-CE 4.3Å; I274-M280 HydrophobicContact CG2-CE 3.78Å |
| 275 | V | 90.8 | Very high | 92.2 | Very high | 112 Ų | 112 | 84.8 Ų | 84.8 | 68% | 0.679 | 51% | 0.506 | S | S | * | . | P | Polyproline II helix | trans | -59 | 131.9 | 177.8 | -175.5 | 0 | 0 | 0 | 0 | 110.1 | P273 G277 K278 | P273-V275 PolarHBondContact O-N 3.44Å; V275-G277 PolarHBondContact O-N 3.43Å; V275-K278 VanDerWaalsContact O-CB 3.26Å; V275-K278 WeakPolarHBondContact O-CB 3.3Å; V275-K278 PolarHBondContact O-N 2.89Å |
| 276 | R | 89.2 | Confident | 92.3 | Very high | 248 Ų | 248 | 86.9 Ų | 86.9 | 94% | 0.936 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | 134.5 | 177.5 | -64.8 | -176.6 | -178.3 | -149.5 | 0.4 | 110.2 | I274 K278 | I274-R276 PolarHBondContact O-N 2.79Å; R276-K278 VanDerWaalsContact C-N 3.34Å |
| 277 | G | 90.7 | Very high | 92.5 | Very high | 72 Ų | 72 | 88 Ų | 88 | 74% | 0.742 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.6 | 6.2 | -176 | 0 | 0 | 0 | 0 | 0 | 114.8 | V275 R279 | V275-G277 PolarHBondContact O-N 3.43Å; G277-R279 PolarHBondContact O-N 3.46Å |
| 278 | K | 93.3 | Very high | 92.7 | Very high | 95 Ų | 95 | 91.8 Ų | 91.8 | 41% | 0.413 | 51% | 0.509 | S | S | . | . | trans | -53.3 | 133 | 169.6 | -175.5 | 72.8 | 179.7 | -160.2 | 0 | 110.5 | A267 I274 V275 R276 M280 | A267-K278 WeakPolarHBondContact O-CE 3.48Å; A267-K278 PolarHBondContact O-NZ 3.4Å; A267-K278 VanDerWaalsContact O-NZ 3.07Å; I274-K278 HydrophobicContact CG2-CB 3.71Å; I274-K278 HydrophobicContact CG2-CG 4.1Å; V275-K278 VanDerWaalsContact O-CB 3.26Å; V275-K278 WeakPolarHBondContact O-CB 3.3Å; V275-K278 PolarHBondContact O-N 2.89Å; R276-K278 VanDerWaalsContact C-N 3.34Å; K278-M280 HydrophobicContact CG-CE 4.29Å; K278-M280 HydrophobicContact CG-CG 4.46Å; K278-M280 PolarHBondContact O-N 3.36Å | ||
| 279 | R | 95.5 | Very high | 93 | Very high | 145 Ų | 145 | 97.6 Ų | 97.6 | 55% | 0.547 | 52% | 0.522 | S | S | . | . | trans | -68.1 | 114.2 | 178.7 | -66.2 | -177.3 | -174.9 | 178.4 | 2.6 | 110.5 | W246 M248 G277 | W246-R279 HydrophobicContact CB-CB 4.48Å; W246-R279 HydrophobicContact CD2-CB 3.76Å; W246-R279 HydrophobicContact CD2-CG 3.73Å; W246-R279 HydrophobicContact CE3-CB 4.4Å; W246-R279 HydrophobicContact CE3-CG 3.85Å; W246-R279 HydrophobicContact CG-CB 3.78Å; W246-R279 HydrophobicContact CG-CG 4.17Å; W246-R279 HydrophobicContact CH2-CG 4.42Å; W246-R279 HydrophobicContact CZ2-CB 4.41Å; W246-R279 HydrophobicContact CZ2-CG 4.33Å; W246-R279 HydrophobicContact CZ3-CG 4.19Å; M248-R279 HydrophobicContact CE-CB 3.83Å; G277-R279 PolarHBondContact O-N 3.46Å | ||
| 280 | M | 96.6 | Very high | 93.4 | Very high | 60 Ų | 60 | 98 Ų | 98 | 30% | 0.296 | 52% | 0.516 | S | S | . | . | trans | -136.2 | 167.8 | -179.2 | -70.2 | -175.6 | 162.6 | 0 | 0 | 111.4 | R245 W246 M264 A267 I274 K278 | R245-M280 PolarHBondContact NH1-O 3.34Å; W246-M280 PolarHBondContact NE1-O 2.9Å; M264-M280 HydrophobicContact CE-CE 4.29Å; A267-M280 HydrophobicContact CB-CE 4.29Å; I274-M280 HydrophobicContact CD1-CE 3.85Å; I274-M280 HydrophobicContact CG1-CE 4.3Å; I274-M280 HydrophobicContact CG2-CE 3.78Å; K278-M280 HydrophobicContact CG-CE 4.29Å; K278-M280 HydrophobicContact CG-CG 4.46Å; K278-M280 PolarHBondContact O-N 3.36Å | ||
| 281 | A | 97.5 | Very high | 93.9 | Very high | 43 Ų | 43 | 88.1 Ų | 88.1 | 36% | 0.355 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -57.4 | 155.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | F239 E240 V242 R245 | F239-A281 HydrophobicContact CE1-CB 3.94Å; F239-A281 HydrophobicContact CZ-CB 4.03Å; E240-A281 WeakPolarHBondContact O-CA 3.47Å; E240-A281 WeakPolarHBondContact O-CB 3.26Å; V242-A281 HydrophobicContact CG1-CB 4.35Å; R245-A281 VanDerWaalsContact NH1-C 3.27Å; R245-A281 PolarHBondContact NH1-O 2.99Å; R245-A281 VanDerWaalsContact NH1-O 3.09Å |
| 282 | G | 97.3 | Very high | 94.5 | Very high | 7 Ų | 7 | 89.8 Ų | 89.8 | 7% | 0.072 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 153.1 | -172.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114 | E240 R245 M284 | E240-G282 PolarHBondContact N-O 2.78Å; E240-G282 PolarHBondContact O-N 2.84Å; R245-G282 WeakPolarHBondContact CD-O 3.29Å; R245-G282 PolarHBondContact NE-O 3Å; R245-G282 VanDerWaalsContact NH1-CA 3.33Å; G282-M284 PolarHBondContact O-N 2.89Å |
| 283 | V | 97.1 | Very high | 94.8 | Very high | 74 Ų | 74 | 88.7 Ų | 88.7 | 45% | 0.448 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 126 | -173.6 | -175.9 | 0 | 0 | 0 | 0 | 111.9 | G238 R245 | G238-V283 CarbonylContact O-C 3.51Å; G238-V283 VanDerWaalsContact O-CA 3.26Å; G238-V283 WeakPolarHBondContact O-CA 3.26Å; R245-V283 PolarHBondContact NE-O 2.71Å; R245-V283 PolarHBondContact NH2-O 2.82Å |
| 284 | M | 96.8 | Very high | 95.1 | Very high | 46 Ų | 46 | 83.7 Ų | 83.7 | 23% | 0.227 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 139.1 | 176 | -177.4 | 179.1 | 177.7 | 0 | 0 | 110.4 | R237 G238 E240 R245 G282 | R237-M284 HydrophobicContact CB-CB 4.37Å; R237-M284 PolarHBondContact N-O 3.03Å; G238-M284 PolarHBondContact O-N 2.8Å; E240-M284 HydrophobicContact CB-CB 3.89Å; E240-M284 HydrophobicContact CB-SD 4.34Å; E240-M284 HydrophobicContact CG-CB 3.72Å; E240-M284 HydrophobicContact CG-CG 4.47Å; E240-M284 HydrophobicContact CG-SD 4.07Å; R245-M284 HydrophobicContact CB-SD 4.41Å; R245-M284 HydrophobicContact CG-CB 4.32Å; G282-M284 PolarHBondContact O-N 2.89Å |
| 285 | G | 96.1 | Very high | 95.4 | Very high | 15 Ų | 15 | 81.3 Ų | 81.3 | 16% | 0.155 | 41% | 0.406 | C | S | . | . | S | Bend | trans | 83.6 | -164.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | T234 I235 R287 | T234-G285 WeakPolarHBondContact OG1-CA 3.13Å; I235-G285 VanDerWaalsContact O-CA 3.22Å; I235-G285 WeakPolarHBondContact O-CA 3.25Å; G285-R287 WeakPolarHBondContact O-CG 3.41Å; G285-R287 PolarHBondContact O-N 3.44Å; G285-R287 VanDerWaalsContact O-N 3.14Å |
| 286 | N | 95.8 | Very high | 95.7 | Very high | 79 Ų | 79 | 76 Ų | 76 | 42% | 0.422 | 37% | 0.373 | S | S | . | . | trans | 50.9 | 34.5 | -177.8 | -163.8 | 21.2 | 0 | 0 | 0 | 114.1 | T234 N236 | T234-N286 WeakPolarHBondContact O-CA 3.29Å; T234-N286 PolarHBondContact O-N 2.76Å; T234-N286 PolarHBondContact OG1-N 2.96Å; N236-N286 HydrophobicContact CB-CB 3.94Å | ||
| 287 | R | 95.5 | Very high | 96.1 | Very high | 123 Ų | 123 | 64.1 Ų | 64.1 | 46% | 0.464 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -124.9 | 148.1 | 178.3 | -68.8 | 176.7 | -166.6 | -126.8 | 0.7 | 109.4 | R233 T234 G285 R289 | R233-R287 WeakPolarHBondContact CA-O 3.43Å; T234-R287 PolarHBondContact N-O 3.09Å; T234-R287 PolarHBondContact OG1-N 3.11Å; T234-R287 PolarHBondContact OG1-O 2.75Å; G285-R287 WeakPolarHBondContact O-CG 3.41Å; G285-R287 PolarHBondContact O-N 3.44Å; G285-R287 VanDerWaalsContact O-N 3.14Å; R287-R289 PolarHBondContact O-N 2.89Å |
| 288 | F | 95.7 | Very high | 96.4 | Very high | 110 Ų | 110 | 61.4 Ų | 61.4 | 48% | 0.482 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 127.9 | 172.9 | -72.9 | -78.3 | 0 | 0 | 0 | 110.3 | T231 A232 R233 | T231-F288 HydrophobicContact CG2-CB 4.41Å; T231-F288 HydrophobicContact CG2-CD1 4.24Å; A232-F288 WeakPolarHBondContact O-CA 3.23Å; R233-F288 HydrophobicContact CG-CD1 3.86Å; R233-F288 HydrophobicContact CG-CD2 4.21Å; R233-F288 HydrophobicContact CG-CE1 3.62Å; R233-F288 HydrophobicContact CG-CE2 3.99Å; R233-F288 HydrophobicContact CG-CG 4.16Å; R233-F288 HydrophobicContact CG-CZ 3.69Å |
| 289 | R | 96.4 | Very high | 96.6 | Very high | 164 Ų | 164 | 57 Ų | 57 | 62% | 0.619 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 147.2 | 171.1 | -69.5 | -62.3 | -171.8 | -178.1 | 1.9 | 108.9 | T231 A232 T234 R287 P313 | T231-R289 WeakPolarHBondContact CA-O 3.27Å; A232-R289 PolarHBondContact N-O 3.23Å; A232-R289 PolarHBondContact O-N 3.03Å; T234-R289 HydrophobicContact CG2-CB 3.78Å; T234-R289 HydrophobicContact CG2-CG 3.55Å; R287-R289 PolarHBondContact O-N 2.89Å; R289-P313 HydrophobicContact CB-CB 4.46Å; R289-P313 WeakPolarHBondContact O-CG 3.41Å |
| 290 | S | 96.1 | Very high | 96.6 | Very high | 67 Ų | 67 | 50.1 Ų | 50.1 | 47% | 0.469 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 126.2 | -179.6 | -51 | 0 | 0 | 0 | 0 | 109.6 | I230 T231 | I230-S290 CarbonylContact O-C 3.58Å; I230-S290 VanDerWaalsContact O-CA 3.23Å; I230-S290 WeakPolarHBondContact O-CA 3.41Å; T231-S290 WeakPolarHBondContact CG2-OG 3.39Å; T231-S290 WeakPolarHBondContact OG1-CB 3.45Å; T231-S290 PolarHBondContact OG1-OG 2.89Å |
| 291 | L | 96.7 | Very high | 96.5 | Very high | 56 Ų | 56 | 49.1 Ų | 49.1 | 29% | 0.293 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 121.2 | 166.9 | -179.8 | 91.4 | 0 | 0 | 0 | 106.5 | D229 I230 V294 T311 T312 | D229-L291 CarbonylContact C-O 3.55Å; D229-L291 WeakPolarHBondContact CA-O 3.29Å; I230-L291 HydrophobicContact CB-CB 4.46Å; I230-L291 HydrophobicContact CD1-CD2 4.48Å; I230-L291 PolarHBondContact N-O 3.5Å; I230-L291 PolarHBondContact O-N 3.41Å; L291-V294 HydrophobicContact CD2-CG2 3.41Å; L291-V294 VanDerWaalsContact CD2-CG2 3.41Å; L291-V294 HydrophobicContact CG-CG2 3.67Å; L291-T311 WeakPolarHBondContact CD2-O 3.45Å; L291-T312 HydrophobicContact CD2-CG2 3.83Å |
| 292 | R | 96.2 | Very high | 96.2 | Very high | 118 Ų | 118 | 51.5 Ų | 51.5 | 45% | 0.445 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 143.6 | -166.5 | -61.6 | -177.8 | 68.5 | -161.7 | -2.5 | 112.3 | D229 W326 L327 | D229-R292 HydrophobicContact CB-CG 4.28Å; D229-R292 WeakPolarHBondContact OD1-CA 3.39Å; D229-R292 VanDerWaalsContact OD1-CB 3.26Å; D229-R292 WeakPolarHBondContact OD1-CB 3.31Å; D229-R292 IonicContact OD2-CZ 3Å; D229-R292 IonicContact OD2-NE 2.74Å; D229-R292 PolarHBondContact OD2-NE 2.92Å; D229-R292 IonicContact OD2-NH2 3.69Å; R292-W326 PolarHBondContact NH2-O 3.37Å; R292-L327 HydrophobicContact CB-CD1 4.42Å; R292-L327 HydrophobicContact CB-CG 4.45Å |
| 293 | G | 96 | Very high | 96 | Very high | 14 Ų | 14 | 54 Ų | 54 | 14% | 0.144 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 71.7 | 42.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y227 L228 D229 S325 | Y227-G293 WeakPolarHBondContact CD1-O 3.29Å; L228-G293 PolarHBondContact O-N 3.39Å; D229-G293 PolarHBondContact OD1-N 2.8Å; G293-S325 WeakPolarHBondContact CA-OG 3.24Å; G293-S325 PolarHBondContact N-OG 3.14Å |
| 294 | V | 96.9 | Very high | 95.9 | Very high | 18 Ų | 18 | 50.9 Ų | 50.9 | 11% | 0.109 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 128.9 | -179.6 | -153 | 0 | 0 | 0 | 0 | 110.5 | Y227 L228 L291 V308 P309 | Y227-V294 CarbonylContact C-O 3.5Å; Y227-V294 WeakPolarHBondContact CA-O 3.5Å; L228-V294 PolarHBondContact N-O 2.95Å; L228-V294 PolarHBondContact O-N 3.06Å; L291-V294 HydrophobicContact CD2-CG2 3.41Å; L291-V294 VanDerWaalsContact CD2-CG2 3.41Å; L291-V294 HydrophobicContact CG-CG2 3.67Å; V294-V308 HydrophobicContact CB-CG1 3.6Å; V294-V308 HydrophobicContact CG1-CG1 3.15Å; V294-V308 HydrophobicContact CG2-CG1 4.5Å; V294-P309 HydrophobicContact CG1-CG 3.9Å; V294-P309 WeakPolarHBondContact CG1-O 3.26Å |
| 295 | M | 96.9 | Very high | 96 | Very high | 41 Ų | 41 | 49.3 Ų | 49.3 | 20% | 0.202 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 141.4 | -176.2 | -168.5 | 174.7 | 74.4 | 0 | 0 | 111.2 | D226 Y227 V297 P309 | D226-M295 CarbonylContact O-C 3.5Å; D226-M295 WeakPolarHBondContact O-CA 3.22Å; Y227-M295 HydrophobicContact CD1-CB 3.99Å; Y227-M295 HydrophobicContact CE1-CB 3.73Å; Y227-M295 HydrophobicContact CE1-CG 4.26Å; M295-V297 HydrophobicContact CE-CG1 4.35Å; M295-V297 HydrophobicContact CE-CG2 4.02Å; M295-P309 WeakPolarHBondContact O-CD 3.12Å |
| 296 | I | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -81.3 | 130.4 | 168 | -58.7 | 172.6 | 0 | 0 | 0 | 108.7 | F222 G225 D226 L228 I299 I306 | F222-I296 HydrophobicContact CB-CD1 3.42Å; F222-I296 VanDerWaalsContact CB-CD1 3.42Å; F222-I296 HydrophobicContact CG-CD1 3.99Å; G225-I296 PolarHBondContact N-O 3.04Å; D226-I296 HydrophobicContact CB-CD1 4.31Å; D226-I296 PolarHBondContact O-N 2.84Å; L228-I296 HydrophobicContact CD1-CD1 3.6Å; L228-I296 HydrophobicContact CD1-CG1 3.61Å; L228-I296 HydrophobicContact CD2-CD1 4.11Å; L228-I296 HydrophobicContact CG-CD1 3.79Å; L228-I296 HydrophobicContact CG-CG1 3.81Å; I296-I299 HydrophobicContact CG2-CD1 3.91Å; I296-I299 HydrophobicContact CG2-CG1 3.65Å; I296-I306 HydrophobicContact CB-CG2 4.48Å; I296-I306 HydrophobicContact CD1-CG2 4.27Å; I296-I306 HydrophobicContact CG1-CG2 4.05Å; I296-I306 HydrophobicContact CG2-CG2 3.76Å |
| 297 | V | 97.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -116.3 | -29.2 | -171 | -153.2 | 0 | 0 | 0 | 0 | 111.4 | M117 M295 Y307 P309 H376 I379 | M117-V297 HydrophobicContact CE-CB 4.27Å; M117-V297 HydrophobicContact CE-CG1 3.8Å; M117-V297 HydrophobicContact CE-CG2 3.98Å; M295-V297 HydrophobicContact CE-CG1 4.35Å; M295-V297 HydrophobicContact CE-CG2 4.02Å; V297-Y307 PolarHBondContact N-O 3.28Å; V297-P309 HydrophobicContact CG2-CG 3.97Å; V297-H376 HydrophobicContact CG1-CB 3.74Å; V297-H376 VanDerWaalsContact O-CB 3.24Å; V297-H376 WeakPolarHBondContact O-CB 3.44Å; V297-H376 PolarHBondContact O-N 2.91Å; V297-I379 HydrophobicContact CB-CD1 3.71Å; V297-I379 HydrophobicContact CB-CG1 4.35Å; V297-I379 HydrophobicContact CG1-CD1 3.14Å; V297-I379 HydrophobicContact CG1-CG1 3.27Å; V297-I379 WeakPolarHBondContact O-CD1 3.36Å | ||
| 298 | R | 97.1 | Very high | 96.3 | Very high | 15 Ų | 15 | 39.4 Ų | 39.4 | 6% | 0.057 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 144.9 | 172.2 | 170.2 | -172.7 | 178 | 171.8 | -2.2 | 110 | Y307 D373 I374 Y375 I379 | R298-Y307 HydrophobicContact CB-CD2 3.85Å; R298-Y307 HydrophobicContact CB-CG 3.95Å; R298-Y307 HydrophobicContact CG-CD2 3.68Å; R298-Y307 HydrophobicContact CG-CE2 4.04Å; R298-Y307 HydrophobicContact CG-CG 4.17Å; R298-Y307 WeakPolarHBondContact O-CD2 3.48Å; R298-Y307 PolarHBondContact O-N 2.88Å; R298-D373 IonicContact CZ-OD2 2.6Å; R298-D373 IonicContact NE-OD2 3.04Å; R298-D373 PolarHBondContact NE-OD2 3.31Å; R298-D373 IonicContact NH2-OD2 2.69Å; R298-D373 PolarHBondContact NH2-OD2 3.48Å; R298-I374 CarbonylContact C-O 3.58Å; R298-I374 VanDerWaalsContact CA-O 3.26Å; R298-I374 WeakPolarHBondContact CA-O 3.43Å; R298-Y375 HydrophobicContact CB-CD1 4.34Å; R298-Y375 HydrophobicContact CG-CD1 4.13Å; R298-Y375 HydrophobicContact CG-CE1 4.07Å; R298-Y375 PolarHBondContact NH1-OH 2.89Å; R298-Y375 PolarHBondContact NH2-OH 3.45Å; R298-I379 HydrophobicContact CB-CD1 4.07Å |
| 299 | I | 97.4 | Very high | 96.3 | Very high | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 134.3 | 174.6 | -74.9 | 178 | 0 | 0 | 0 | 108.6 | V219 F222 V224 I296 L305 I306 I374 | V219-I299 HydrophobicContact CB-CG2 4.4Å; V219-I299 HydrophobicContact CG1-CB 4.41Å; V219-I299 HydrophobicContact CG1-CD1 4.43Å; V219-I299 HydrophobicContact CG1-CG1 4.29Å; V219-I299 HydrophobicContact CG1-CG2 3.47Å; V219-I299 VanDerWaalsContact CG1-CG2 3.47Å; F222-I299 VanDerWaalsContact O-CD1 3.31Å; F222-I299 WeakPolarHBondContact O-CD1 3.35Å; V224-I299 HydrophobicContact CG2-CB 3.9Å; V224-I299 HydrophobicContact CG2-CD1 3.9Å; V224-I299 HydrophobicContact CG2-CG1 3.84Å; I296-I299 HydrophobicContact CG2-CD1 3.91Å; I296-I299 HydrophobicContact CG2-CG1 3.65Å; I299-L305 WeakPolarHBondContact CA-O 3.4Å; I299-I306 HydrophobicContact CG1-CG1 4.4Å; I299-I374 PolarHBondContact N-O 3.03Å; I299-I374 PolarHBondContact O-N 3.5Å |
| 300 | N | 95.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 110.3 | 167 | -179 | -47.5 | 0 | 0 | 0 | 108.4 | K302 L303 G304 L305 D369 D373 | N300-K302 PolarHBondContact OD1-N 2.86Å; N300-L303 PolarHBondContact OD1-N 2.89Å; N300-G304 CarbonylContact O-C 3.56Å; N300-G304 PolarHBondContact O-N 3.32Å; N300-L305 HydrophobicContact CB-CB 3.98Å; N300-L305 HydrophobicContact CB-CD1 4.5Å; N300-L305 HydrophobicContact CB-CG 4.41Å; N300-L305 PolarHBondContact N-O 3.48Å; N300-L305 PolarHBondContact O-N 2.94Å; N300-D369 PolarHBondContact ND2-O 3.33Å; N300-D373 WeakPolarHBondContact CA-OD1 3.26Å; N300-D373 WeakPolarHBondContact CB-OD1 3.44Å; N300-D373 PolarHBondContact ND2-OD1 2.82Å |
| 301 | P | 93.2 | Very high | 96.2 | Very high | 40 Ų | 40 | 31.7 Ų | 31.7 | 26% | 0.26 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -33.5 | -178.6 | 28.1 | -32.8 | 0 | 0 | 0 | 113.2 | Q372 | P301-Q372 VanDerWaalsContact CD-O 3.26Å; P301-Q372 WeakPolarHBondContact CD-O 3.39Å; P301-Q372 HydrophobicContact CG-CB 4.17Å |
| 302 | K | 92.1 | Very high | 96.1 | Very high | 93 Ų | 93 | 29.5 Ų | 29.5 | 40% | 0.404 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -51.7 | -176.5 | -171.3 | -174.6 | -175.9 | -169.2 | 0 | 112 | N300 D367 D369 | N300-K302 PolarHBondContact OD1-N 2.86Å; K302-D367 PolarHBondContact NZ-O 2.81Å; K302-D369 WeakPolarHBondContact CE-OD1 3.49Å; K302-D369 IonicContact NZ-OD1 3.87Å; K302-D369 PolarHBondContact NZ-OD1 3.41Å |
| 303 | L | 93.5 | Very high | 96.2 | Very high | 59 Ų | 59 | 24.8 Ų | 24.8 | 31% | 0.309 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -9.3 | -178.7 | -67 | -177.6 | 0 | 0 | 0 | 114.1 | N300 L305 D369 F370 | N300-L303 PolarHBondContact OD1-N 2.89Å; L303-L305 HydrophobicContact CB-CD1 4Å; L303-L305 HydrophobicContact CB-CG 3.83Å; L303-L305 HydrophobicContact CD1-CD1 4Å; L303-D369 HydrophobicContact CD1-CB 3.9Å; L303-D369 HydrophobicContact CD2-CB 4.22Å; L303-D369 HydrophobicContact CG-CB 4.09Å; L303-F370 HydrophobicContact CD1-CE1 3.81Å; L303-F370 HydrophobicContact CD1-CZ 3.94Å |
| 304 | G | 95.1 | Very high | 96.2 | Very high | 9 Ų | 9 | 24.4 Ų | 24.4 | 9% | 0.093 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.1 | 27.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q123 I124 V219 N300 | Q123-G304 CarbonylContact C-O 3.56Å; I124-G304 PolarHBondContact N-O 2.85Å; V219-G304 WeakPolarHBondContact CG2-O 3.29Å; N300-G304 CarbonylContact O-C 3.56Å; N300-G304 PolarHBondContact O-N 3.32Å |
| 305 | L | 97.4 | Very high | 96.2 | Very high | 12 Ų | 12 | 26.4 Ų | 26.4 | 6% | 0.063 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 142.3 | -167.9 | -50.4 | 175.8 | 0 | 0 | 0 | 114.3 | L104 I121 F122 Q123 I299 N300 L303 Y307 | L104-L305 HydrophobicContact CD1-CD2 3.72Å; I121-L305 HydrophobicContact CG2-CB 4.34Å; I121-L305 HydrophobicContact CG2-CD1 4.45Å; I121-L305 HydrophobicContact CG2-CD2 4.16Å; F122-L305 CarbonylContact O-C 3.56Å; F122-L305 VanDerWaalsContact O-CA 3.29Å; F122-L305 WeakPolarHBondContact O-CA 3.29Å; Q123-L305 HydrophobicContact CB-CD2 3.85Å; Q123-L305 HydrophobicContact CG-CD2 3.99Å; I299-L305 WeakPolarHBondContact CA-O 3.4Å; N300-L305 HydrophobicContact CB-CB 3.98Å; N300-L305 HydrophobicContact CB-CD1 4.5Å; N300-L305 HydrophobicContact CB-CG 4.41Å; N300-L305 PolarHBondContact N-O 3.48Å; N300-L305 PolarHBondContact O-N 2.94Å; L303-L305 HydrophobicContact CB-CD1 4Å; L303-L305 HydrophobicContact CB-CG 3.83Å; L303-L305 HydrophobicContact CD1-CD1 4Å; L305-Y307 HydrophobicContact CB-CE2 3.87Å; L305-Y307 HydrophobicContact CD1-CE2 4.42Å |
| 306 | I | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 132.9 | 170.1 | -59.6 | -173.4 | 0 | 0 | 0 | 109.6 | F122 I124 V219 F222 I296 I299 V308 L322 | F122-I306 HydrophobicContact CB-CB 4.34Å; F122-I306 PolarHBondContact N-O 2.82Å; F122-I306 PolarHBondContact O-N 2.86Å; I124-I306 HydrophobicContact CD1-CD1 3.32Å; I124-I306 HydrophobicContact CD1-CG1 3.76Å; I124-I306 HydrophobicContact CG1-CD1 4.38Å; V219-I306 HydrophobicContact CG1-CD1 3.94Å; V219-I306 HydrophobicContact CG1-CG1 3.49Å; V219-I306 VanDerWaalsContact CG1-CG1 3.49Å; F222-I306 HydrophobicContact CB-CD1 4.47Å; F222-I306 HydrophobicContact CD2-CD1 3.67Å; F222-I306 HydrophobicContact CE2-CD1 4.43Å; F222-I306 HydrophobicContact CG-CD1 4.49Å; I296-I306 HydrophobicContact CB-CG2 4.48Å; I296-I306 HydrophobicContact CD1-CG2 4.27Å; I296-I306 HydrophobicContact CG1-CG2 4.05Å; I296-I306 HydrophobicContact CG2-CG2 3.76Å; I299-I306 HydrophobicContact CG1-CG1 4.4Å; I306-V308 HydrophobicContact CG2-CG2 3.85Å; I306-L322 HydrophobicContact CD1-CD1 4.18Å |
| 307 | Y | 98 | Very high | 96.1 | Very high | 10 Ų | 10 | 34.2 Ų | 34.2 | 4% | 0.039 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 124.9 | 177 | -63.7 | -109.9 | 0 | 0 | 0 | 110.1 | Y107 L109 I121 V297 R298 L305 | Y107-Y307 HydrophobicContact CD1-CE1 4.34Å; L109-Y307 HydrophobicContact CD1-CD1 4.13Å; I121-Y307 HydrophobicContact CD1-CD1 4.22Å; I121-Y307 HydrophobicContact CD1-CE1 3.51Å; I121-Y307 HydrophobicContact CG1-CD1 3.72Å; I121-Y307 HydrophobicContact CG1-CE1 3.52Å; I121-Y307 HydrophobicContact CG2-CE1 4.42Å; V297-Y307 PolarHBondContact N-O 3.28Å; R298-Y307 HydrophobicContact CB-CD2 3.85Å; R298-Y307 HydrophobicContact CB-CG 3.95Å; R298-Y307 HydrophobicContact CG-CD2 3.68Å; R298-Y307 HydrophobicContact CG-CE2 4.04Å; R298-Y307 HydrophobicContact CG-CG 4.17Å; R298-Y307 WeakPolarHBondContact O-CD2 3.48Å; R298-Y307 PolarHBondContact O-N 2.88Å; L305-Y307 HydrophobicContact CB-CE2 3.87Å; L305-Y307 HydrophobicContact CD1-CE2 4.42Å |
| 308 | V | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 132.5 | -176.9 | 178.3 | 0 | 0 | 0 | 0 | 109.5 | C119 T120 F122 I230 V294 I306 | C119-V308 CarbonylContact C-O 3.4Å; C119-V308 VanDerWaalsContact CA-O 3.29Å; C119-V308 WeakPolarHBondContact CA-O 3.26Å; T120-V308 PolarHBondContact N-O 2.67Å; T120-V308 PolarHBondContact O-N 2.86Å; T120-V308 PolarHBondContact OG1-O 2.83Å; F122-V308 HydrophobicContact CD2-CB 4.47Å; F122-V308 HydrophobicContact CD2-CG2 4.1Å; F122-V308 HydrophobicContact CE2-CB 4.21Å; F122-V308 HydrophobicContact CE2-CG2 4.17Å; I230-V308 HydrophobicContact CD1-CB 4.34Å; I230-V308 HydrophobicContact CD1-CG1 3.81Å; I230-V308 HydrophobicContact CD1-CG2 4.26Å; V294-V308 HydrophobicContact CB-CG1 3.6Å; V294-V308 HydrophobicContact CG1-CG1 3.15Å; V294-V308 HydrophobicContact CG2-CG1 4.5Å; I306-V308 HydrophobicContact CG2-CG2 3.85Å |
| 309 | P | 96.9 | Very high | 96.1 | Very high | 29 Ų | 29 | 38 Ų | 38 | 19% | 0.188 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 149.1 | -175.5 | 30 | -34.1 | 0 | 0 | 0 | 111.6 | M117 V294 M295 V297 | M117-P309 HydrophobicContact CE-CB 4.06Å; M117-P309 HydrophobicContact CG-CB 4.16Å; M117-P309 HydrophobicContact SD-CB 4.01Å; V294-P309 HydrophobicContact CG1-CG 3.9Å; V294-P309 WeakPolarHBondContact CG1-O 3.26Å; M295-P309 WeakPolarHBondContact O-CD 3.12Å; V297-P309 HydrophobicContact CG2-CG 3.97Å |
| 310 | G | 94.8 | Very high | 96.1 | Very high | 36 Ų | 36 | 37.9 Ų | 37.9 | 37% | 0.371 | 22% | 0.217 | S | C | . | . | B | Isolated β-bridge | trans | 81.4 | -168.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | D118 T120 | D118-G310 PolarHBondContact O-N 3.38Å; T120-G310 WeakPolarHBondContact CG2-O 3.03Å |
| 311 | T | 94.6 | Very high | 96.2 | Very high | 113 Ų | 113 | 39.2 Ų | 39.2 | 69% | 0.693 | 22% | 0.224 | S | C | * | . | trans | -98.6 | 143.2 | -175.8 | 57.7 | 0 | 0 | 0 | 0 | 111.4 | L291 | L291-T311 WeakPolarHBondContact CD2-O 3.45Š| ||
| 312 | T | 96.5 | Very high | 96.4 | Very high | 10 Ų | 10 | 37.3 Ų | 37.3 | 6% | 0.061 | 21% | 0.211 | C | C | . | . | trans | -116.1 | 150.3 | -177.5 | 53.6 | 0 | 0 | 0 | 0 | 111.1 | K103 T120 F122 I230 L291 | K103-T312 WeakPolarHBondContact CD-OG1 3.5Å; K103-T312 VanDerWaalsContact CE-OG1 3.26Å; K103-T312 WeakPolarHBondContact CE-OG1 3.12Å; K103-T312 PolarHBondContact NZ-O 3.19Å; K103-T312 PolarHBondContact NZ-OG1 3.14Å; T120-T312 HydrophobicContact CG2-CG2 3.97Å; T120-T312 WeakPolarHBondContact CG2-OG1 3.39Å; T120-T312 VanDerWaalsContact OG1-CG2 3.24Å; T120-T312 WeakPolarHBondContact OG1-CG2 3.49Å; F122-T312 HydrophobicContact CE2-CG2 3.84Å; F122-T312 HydrophobicContact CZ-CG2 3.54Å; I230-T312 HydrophobicContact CD1-CG2 3.86Å; I230-T312 HydrophobicContact CG2-CG2 4.39Å; L291-T312 HydrophobicContact CD2-CG2 3.83Å | ||
| 313 | P | 97 | Very high | 96.6 | Very high | 19 Ų | 19 | 34 Ų | 34 | 12% | 0.123 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -62.7 | 142.2 | -179.1 | 23.4 | -30.7 | 0 | 0 | 0 | 111.3 | A232 T234 R289 | A232-P313 HydrophobicContact CB-CB 4.22Å; A232-P313 HydrophobicContact CB-CG 3.97Å; A232-P313 VanDerWaalsContact CB-O 3.27Å; A232-P313 WeakPolarHBondContact CB-O 3.27Å; T234-P313 HydrophobicContact CG2-CB 4.22Å; R289-P313 HydrophobicContact CB-CB 4.46Å; R289-P313 WeakPolarHBondContact O-CG 3.41Å |
| 314 | G | 96.1 | Very high | 96.8 | Very high | 6 Ų | 6 | 31.3 Ų | 31.3 | 6% | 0.062 | 18% | 0.184 | C | C | . | . | S | Bend | trans | 97.6 | 160.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | K103 R233 | K103-G314 PolarHBondContact NZ-O 3.45Å; R233-G314 WeakPolarHBondContact O-CA 3.5Å |
| 315 | P | 96.8 | Very high | 96.8 | Very high | 60 Ų | 60 | 31.1 Ų | 31.1 | 39% | 0.39 | 18% | 0.181 | S | C | . | . | trans | -71.3 | 170.1 | 177.7 | 31.1 | -33.7 | 0 | 0 | 0 | 111.4 | I235 S318 | I235-P315 HydrophobicContact CG1-CB 4.2Å; P315-S318 VanDerWaalsContact O-CB 3.31Å; P315-S318 WeakPolarHBondContact O-CB 3.4Å; P315-S318 PolarHBondContact O-N 2.89Å; P315-S318 PolarHBondContact O-OG 3.22Å | ||
| 316 | V | 96.9 | Very high | 96.5 | Very high | 77 Ų | 77 | 35.6 Ų | 35.6 | 47% | 0.467 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 146.9 | 168.7 | 179.5 | 0 | 0 | 0 | 0 | 109.7 | L104 S318 | L104-V316 WeakPolarHBondContact O-CG1 3.43Å; V316-S318 PolarHBondContact O-N 2.92Å |
| 317 | H | 96.8 | Very high | 96.4 | Very high | 129 Ų | 129 | 38.8 Ų | 38.8 | 60% | 0.597 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | 15 | -172 | -55 | -59.6 | 0 | 0 | 0 | 116 | K103 | K103-H317 WeakPolarHBondContact O-CA 3.46Å; K103-H317 PolarHBondContact O-N 3.1Å |
| 318 | S | 96.3 | Very high | 96.2 | Very high | 20 Ų | 20 | 46.7 Ų | 46.7 | 14% | 0.14 | 24% | 0.244 | C | C | . | . | trans | -83 | 148.7 | 173.4 | 65.6 | 0 | 0 | 0 | 0 | 112.6 | K103 P315 V316 | K103-S318 PolarHBondContact N-O 2.88Å; K103-S318 VanDerWaalsContact N-O 3.09Å; P315-S318 VanDerWaalsContact O-CB 3.31Å; P315-S318 WeakPolarHBondContact O-CB 3.4Å; P315-S318 PolarHBondContact O-N 2.89Å; P315-S318 PolarHBondContact O-OG 3.22Å; V316-S318 PolarHBondContact O-N 2.92Å | ||
| 319 | Y | 97.3 | Very high | 96.1 | Very high | 73 Ų | 73 | 51.7 Ų | 51.7 | 29% | 0.286 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 129.2 | 171.7 | -57.4 | -65.2 | 0 | 0 | 0 | 110.9 | I100 A101 I102 F174 R198 K199 | I100-Y319 HydrophobicContact CG2-CD1 4.48Å; A101-Y319 CarbonylContact O-C 3.57Å; A101-Y319 WeakPolarHBondContact O-CA 2.99Å; I102-Y319 HydrophobicContact CD1-CD1 4.28Å; I102-Y319 HydrophobicContact CD1-CE1 3.94Å; I102-Y319 HydrophobicContact CG1-CD1 3.89Å; I102-Y319 HydrophobicContact CG1-CE1 4.05Å; F174-Y319 HydrophobicContact CD2-CD1 4.47Å; F174-Y319 AromaticContact CD2-CE1 3.68Å; F174-Y319 HydrophobicContact CD2-CE1 3.68Å; F174-Y319 HydrophobicContact CE2-CD1 4.37Å; F174-Y319 AromaticContact CE2-CE1 3.82Å; F174-Y319 HydrophobicContact CE2-CE1 3.82Å; R198-Y319 WeakPolarHBondContact CD-OH 3.41Å; K199-Y319 HydrophobicContact CB-CD1 4.14Å; K199-Y319 HydrophobicContact CB-CD2 4.4Å; K199-Y319 HydrophobicContact CB-CE1 3.99Å; K199-Y319 HydrophobicContact CB-CE2 4.24Å; K199-Y319 HydrophobicContact CB-CG 4.35Å; K199-Y319 HydrophobicContact CD-CD2 3.98Å; K199-Y319 HydrophobicContact CD-CE2 4.31Å; K199-Y319 HydrophobicContact CD-CG 4.3Å; K199-Y319 HydrophobicContact CG-CD1 4.12Å; K199-Y319 HydrophobicContact CG-CD2 4.05Å; K199-Y319 HydrophobicContact CG-CE1 4.45Å; K199-Y319 HydrophobicContact CG-CE2 4.37Å; K199-Y319 HydrophobicContact CG-CG 3.92Å |
| 320 | C | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 143.8 | 175.2 | -59.7 | 0 | 0 | 0 | 0 | 109.6 | I100 A101 F122 I230 A232 | I100-C320 WeakPolarHBondContact CA-O 3.27Å; A101-C320 PolarHBondContact N-O 2.91Å; A101-C320 PolarHBondContact O-N 3.47Å; F122-C320 HydrophobicContact CD1-CB 4.24Å; F122-C320 HydrophobicContact CE1-CB 3.74Å; I230-C320 HydrophobicContact CG2-CB 4.29Å; A232-C320 HydrophobicContact CB-CB 4.23Å; A232-C320 VanDerWaalsContact CB-SG 3.56Å |
| 321 | L | 98 | Very high | 95.8 | Very high | 29 Ų | 29 | 53.8 Ų | 53.8 | 15% | 0.152 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 122.2 | 173.1 | -54.6 | 174 | 0 | 0 | 0 | 107.3 | I100 S201 F203 I230 T231 | I100-L321 HydrophobicContact CG1-CD2 3.9Å; S201-L321 WeakPolarHBondContact OG-CD1 3.24Å; S201-L321 WeakPolarHBondContact OG-CD2 3.09Å; F203-L321 HydrophobicContact CE1-CB 4.24Å; F203-L321 HydrophobicContact CZ-CB 4.35Å; F203-L321 HydrophobicContact CZ-CD2 4.02Å; I230-L321 CarbonylContact C-O 3.59Å; I230-L321 WeakPolarHBondContact CA-O 3.42Å; T231-L321 PolarHBondContact N-O 3.2Å; T231-L321 PolarHBondContact O-N 3.03Å |
| 322 | L | 98 | Very high | 95.7 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 125.6 | 175.8 | -56 | -177.7 | 0 | 0 | 0 | 108 | G98 L99 A101 F122 F222 L228 I230 I306 | G98-L322 CarbonylContact C-O 3.55Å; G98-L322 WeakPolarHBondContact CA-O 3.41Å; L99-L322 PolarHBondContact N-O 3.22Å; L99-L322 PolarHBondContact O-N 2.92Å; A101-L322 HydrophobicContact CB-CD1 3.7Å; A101-L322 HydrophobicContact CB-CG 4.05Å; F122-L322 HydrophobicContact CB-CD1 4.39Å; F122-L322 HydrophobicContact CD2-CD2 4.43Å; F122-L322 HydrophobicContact CE2-CD2 4.42Å; F122-L322 HydrophobicContact CG-CD1 4.46Å; F222-L322 HydrophobicContact CE2-CB 3.96Å; F222-L322 HydrophobicContact CZ-CB 4.14Å; L228-L322 HydrophobicContact CD1-CB 4.38Å; L228-L322 HydrophobicContact CD1-CD1 4.4Å; L228-L322 HydrophobicContact CD1-CD2 4.41Å; I230-L322 HydrophobicContact CB-CD2 4.22Å; I230-L322 HydrophobicContact CD1-CD2 4.06Å; I230-L322 HydrophobicContact CG1-CD2 3.66Å; I230-L322 HydrophobicContact CG2-CD2 3.94Å; I306-L322 HydrophobicContact CD1-CD1 4.18Å |
| 323 | N | 96.2 | Very high | 95.5 | Very high | 22 Ų | 22 | 56.8 Ų | 56.8 | 12% | 0.118 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 158.9 | 174.3 | 62.2 | -76.2 | 0 | 0 | 0 | 109.7 | F203 L228 D229 | F203-N323 HydrophobicContact CD1-CB 4.45Å; F203-N323 HydrophobicContact CE1-CB 4.45Å; L228-N323 CarbonylContact C-O 3.57Å; L228-N323 VanDerWaalsContact CA-O 3.29Å; L228-N323 WeakPolarHBondContact CA-O 3.48Å; D229-N323 PolarHBondContact N-O 2.97Å; D229-N323 PolarHBondContact O-N 3.22Å; D229-N323 VanDerWaalsContact O-N 3.08Å; D229-N323 PolarHBondContact O-OD1 3.28Å |
| 324 | D | 96.5 | Very high | 95.2 | Very high | 4 Ų | 4 | 56.7 Ų | 56.7 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.7 | 145.8 | 172.1 | -61.7 | -33 | 0 | 0 | 0 | 110.7 | R96 F222 W326 L334 | R96-D324 WeakPolarHBondContact CD-OD2 3.36Å; R96-D324 WeakPolarHBondContact CG-OD2 3.35Å; R96-D324 IonicContact CZ-OD1 3.79Å; R96-D324 IonicContact CZ-OD2 3.62Å; R96-D324 IonicContact NE-OD1 2.98Å; R96-D324 PolarHBondContact NE-OD1 3.39Å; R96-D324 IonicContact NE-OD2 2.71Å; R96-D324 PolarHBondContact NE-OD2 3.42Å; R96-D324 IonicContact NH2-OD1 3.46Å; R96-D324 PolarHBondContact NH2-OD1 3.41Å; R96-D324 IonicContact NH2-OD2 3.83Å; F222-D324 WeakPolarHBondContact CE1-OD1 3.44Å; D324-W326 PolarHBondContact O-N 3.31Å; D324-L334 HydrophobicContact CB-CD1 3.94Å |
| 325 | S | 95.7 | Very high | 95.1 | Very high | 5 Ų | 5 | 57.3 Ų | 57.3 | 4% | 0.035 | 27% | 0.265 | C | S | . | . | trans | -66.8 | 132.9 | -175.7 | -172.2 | 0 | 0 | 0 | 0 | 112.8 | Y227 D229 G293 L327 | Y227-S325 WeakPolarHBondContact O-CB 3.12Å; Y227-S325 PolarHBondContact O-N 3.26Å; D229-S325 VanDerWaalsContact OD1-CA 3.29Å; D229-S325 WeakPolarHBondContact OD1-CA 3.38Å; D229-S325 VanDerWaalsContact OD1-CB 3.25Å; D229-S325 WeakPolarHBondContact OD1-CB 3Å; D229-S325 PolarHBondContact OD1-OG 2.8Å; G293-S325 WeakPolarHBondContact CA-OG 3.24Å; G293-S325 PolarHBondContact N-OG 3.14Å; S325-L327 VanDerWaalsContact C-N 3.29Å; S325-L327 PolarHBondContact O-N 3.26Å; S325-L327 PolarHBondContact OG-N 2.84Å | ||
| 326 | W | 91.8 | Very high | 94.9 | Very high | 106 Ų | 106 | 60.9 Ų | 60.9 | 40% | 0.402 | 28% | 0.28 | S | S | . | . | trans | -84.1 | 1.7 | 173.1 | -87 | -17.9 | 0 | 0 | 0 | 114.2 | Q95 L204 D229 R292 D324 R328 | Q95-W326 VanDerWaalsContact OE1-NE1 3.15Å; L204-W326 HydrophobicContact CD1-CH2 3.9Å; L204-W326 HydrophobicContact CD1-CZ2 4.03Å; D229-W326 PolarHBondContact OD2-N 2.74Å; D229-W326 VanDerWaalsContact OD2-N 3.08Å; R292-W326 PolarHBondContact NH2-O 3.37Å; D324-W326 PolarHBondContact O-N 3.31Å; W326-R328 PolarHBondContact O-N 3.07Å | ||
| 327 | L | 95.4 | Very high | 94.7 | Very high | 66 Ų | 66 | 62 Ų | 62 | 35% | 0.346 | 28% | 0.284 | S | S | . | . | trans | -67.4 | 131.1 | 176.3 | -70.4 | 175.4 | 0 | 0 | 0 | 110.1 | R292 S325 N329 R330 R331 | R292-L327 HydrophobicContact CB-CD1 4.42Å; R292-L327 HydrophobicContact CB-CG 4.45Å; S325-L327 VanDerWaalsContact C-N 3.29Å; S325-L327 PolarHBondContact O-N 3.26Å; S325-L327 PolarHBondContact OG-N 2.84Å; L327-N329 VanDerWaalsContact C-N 3.27Å; L327-N329 PolarHBondContact O-N 2.75Å; L327-R330 HydrophobicContact CB-CB 4.21Å; L327-R330 HydrophobicContact CB-CG 3.89Å; L327-R330 HydrophobicContact CD1-CG 4.26Å; L327-R330 PolarHBondContact O-N 3Å; L327-R331 PolarHBondContact O-N 3.3Å | ||
| 328 | R | 93.6 | Very high | 94.5 | Very high | 177 Ų | 177 | 58.6 Ų | 58.6 | 67% | 0.668 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -53.5 | -42.6 | -176.4 | -174.7 | 179 | 179.3 | -141.6 | 5.9 | 112.9 | W326 R331 R332 | W326-R328 PolarHBondContact O-N 3.07Å; R328-R331 PolarHBondContact O-N 3.01Å; R328-R332 VanDerWaalsContact NH2-NH2 3.2Å; R328-R332 WeakPolarHBondContact O-CG 3.13Å; R328-R332 PolarHBondContact O-N 2.87Å |
| 329 | N | 94.5 | Very high | 94.3 | Very high | 105 Ų | 105 | 58 Ų | 58 | 56% | 0.561 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -67.9 | -38.3 | 179.9 | -64.6 | -3.9 | 0 | 0 | 0 | 112 | L327 R332 Q333 | L327-N329 VanDerWaalsContact C-N 3.27Å; L327-N329 PolarHBondContact O-N 2.75Å; N329-R332 PolarHBondContact O-N 2.83Å; N329-Q333 PolarHBondContact O-N 2.7Å |
| 330 | R | 93.9 | Very high | 94.1 | Very high | 73 Ų | 73 | 56.1 Ų | 56.1 | 28% | 0.275 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -71.7 | -35.4 | 178 | -56.8 | -49.8 | -178 | -161.6 | 0.2 | 111.9 | Y227 L327 R332 Q333 L334 | Y227-R330 HydrophobicContact CD1-CG 4.17Å; Y227-R330 HydrophobicContact CD2-CG 4.43Å; Y227-R330 VanDerWaalsContact CE1-NE 3.31Å; Y227-R330 HydrophobicContact CG-CB 4.28Å; Y227-R330 HydrophobicContact CG-CG 3.97Å; Y227-R330 PolarHBondContact OH-NH1 2.81Å; L327-R330 HydrophobicContact CB-CB 4.21Å; L327-R330 HydrophobicContact CB-CG 3.89Å; L327-R330 HydrophobicContact CD1-CG 4.26Å; L327-R330 PolarHBondContact O-N 3Å; R330-R332 VanDerWaalsContact C-N 3.29Å; R330-R332 PolarHBondContact O-N 2.96Å; R330-Q333 VanDerWaalsContact CD-OE1 3.31Å; R330-Q333 WeakPolarHBondContact O-CB 3.29Å; R330-Q333 PolarHBondContact O-N 2.94Å; R330-L334 WeakPolarHBondContact O-CB 3.29Å; R330-L334 PolarHBondContact O-N 2.93Å |
| 331 | R | 91.9 | Very high | 93.8 | Very high | 36 Ų | 36 | 57.1 Ų | 57.1 | 14% | 0.136 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.1 | -30.7 | 175.4 | -162.6 | 169.1 | -168.9 | 178.7 | 2 | 113 | Y92 T94 L327 R328 N335 | Y92-R331 PolarHBondContact O-NH2 2.77Å; Y92-R331 VanDerWaalsContact O-NH2 3.11Å; T94-R331 PolarHBondContact O-NH2 3.4Å; L327-R331 PolarHBondContact O-N 3.3Å; R328-R331 PolarHBondContact O-N 3.01Å; R331-N335 PolarHBondContact O-N 2.6Å; R331-N335 PolarHBondContact O-ND2 3.29Å |
| 332 | R | 92.2 | Very high | 93.4 | Very high | 100 Ų | 100 | 56.4 Ų | 56.4 | 38% | 0.377 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63 | -52.6 | 170.7 | -71.9 | 173.1 | 175.2 | -175.8 | -6.5 | 110.9 | Y92 R328 N329 R330 L334 N335 D336 | Y92-R332 HydrophobicContact CE1-CG 4.46Å; R328-R332 VanDerWaalsContact NH2-NH2 3.2Å; R328-R332 WeakPolarHBondContact O-CG 3.13Å; R328-R332 PolarHBondContact O-N 2.87Å; N329-R332 PolarHBondContact O-N 2.83Å; R330-R332 VanDerWaalsContact C-N 3.29Å; R330-R332 PolarHBondContact O-N 2.96Å; R332-L334 PolarHBondContact O-N 2.75Å; R332-N335 WeakPolarHBondContact O-CA 3.48Å; R332-N335 WeakPolarHBondContact O-CB 3.26Å; R332-N335 PolarHBondContact O-N 2.69Å; R332-D336 PolarHBondContact O-N 3.29Å |
| 333 | Q | 92.7 | Very high | 93.2 | Very high | 86 Ų | 86 | 56.7 Ų | 56.7 | 40% | 0.402 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -55.4 | -40.1 | 177.2 | -65.7 | 175.1 | -32 | 0 | 0 | 112.1 | N329 R330 D336 N337 | N329-Q333 PolarHBondContact O-N 2.7Å; R330-Q333 VanDerWaalsContact CD-OE1 3.31Å; R330-Q333 WeakPolarHBondContact O-CB 3.29Å; R330-Q333 PolarHBondContact O-N 2.94Å; Q333-D336 PolarHBondContact O-N 3.31Å; Q333-N337 PolarHBondContact O-N 3.29Å |
| 334 | L | 91.9 | Very high | 92.9 | Very high | 16 Ų | 16 | 59.4 Ų | 59.4 | 8% | 0.084 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -69.4 | -34.5 | 176.8 | -166.3 | 153.2 | 0 | 0 | 0 | 112.6 | W89 D324 R330 R332 N337 P338 P339 | W89-L334 HydrophobicContact CD2-CD2 4.5Å; W89-L334 HydrophobicContact CE3-CD2 4.39Å; W89-L334 HydrophobicContact CH2-CD2 3.09Å; W89-L334 HydrophobicContact CZ2-CD2 3.09Å; W89-L334 HydrophobicContact CZ3-CD2 3.76Å; D324-L334 HydrophobicContact CB-CD1 3.94Å; R330-L334 WeakPolarHBondContact O-CB 3.29Å; R330-L334 PolarHBondContact O-N 2.93Å; R332-L334 PolarHBondContact O-N 2.75Å; L334-N337 CarbonylContact O-C 3.39Å; L334-P338 VanDerWaalsContact O-CA 3.3Å; L334-P338 WeakPolarHBondContact O-CA 3.32Å; L334-P339 HydrophobicContact CD1-CG 4.46Å; L334-P339 VanDerWaalsContact CD2-CD 3.47Å; L334-P339 HydrophobicContact CD2-CG 3.85Å; L334-P339 HydrophobicContact CG-CG 4.16Å |
| 335 | N | 92.6 | Very high | 92.4 | Very high | 20 Ų | 20 | 61.4 Ų | 61.4 | 11% | 0.107 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -70.1 | -33.5 | 173.5 | -68.2 | -27.3 | 0 | 0 | 0 | 112.3 | W89 P91 Y92 R331 R332 | W89-N335 PolarHBondContact NE1-OD1 3.4Å; W89-N335 VanDerWaalsContact NE1-OD1 3.15Å; P91-N335 WeakPolarHBondContact CA-OD1 3.49Å; P91-N335 HydrophobicContact CB-CB 4.2Å; Y92-N335 WeakPolarHBondContact CD1-ND2 3.47Å; Y92-N335 VanDerWaalsContact CE1-ND2 3.29Å; Y92-N335 WeakPolarHBondContact CE1-ND2 3.43Å; Y92-N335 WeakPolarHBondContact CE2-ND2 3.31Å; Y92-N335 PolarHBondContact N-OD1 2.97Å; R331-N335 PolarHBondContact O-N 2.6Å; R331-N335 PolarHBondContact O-ND2 3.29Å; R332-N335 WeakPolarHBondContact O-CA 3.48Å; R332-N335 WeakPolarHBondContact O-CB 3.26Å; R332-N335 PolarHBondContact O-N 2.69Å |
| 336 | D | 93.1 | Very high | 91.6 | Very high | 134 Ų | 134 | 64.6 Ų | 64.6 | 72% | 0.717 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -68.3 | -36.6 | 179.6 | -58.6 | -29.5 | 0 | 0 | 0 | 111.1 | R332 Q333 | R332-D336 PolarHBondContact O-N 3.29Å; Q333-D336 PolarHBondContact O-N 3.31Å |
| 337 | N | 92.9 | Very high | 90.9 | Very high | 100 Ų | 100 | 64.5 Ų | 64.5 | 54% | 0.535 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -125.1 | 86.8 | 171.5 | -176.4 | -6.6 | 0 | 0 | 0 | 110.2 | R223 Q333 L334 | R223-N337 PolarHBondContact NH1-OD1 2.77Å; R223-N337 PolarHBondContact NH2-O 3.11Å; Q333-N337 PolarHBondContact O-N 3.29Å; L334-N337 CarbonylContact O-C 3.39Å |
| 338 | P | 92.8 | Very high | 89.4 | Confident | 58 Ų | 58 | 66 Ų | 66 | 38% | 0.377 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 136.8 | -173.3 | 26.4 | -34.3 | 0 | 0 | 0 | 111.8 | W89 R223 L334 | W89-P338 HydrophobicContact CB-CB 3.6Å; W89-P338 HydrophobicContact CD2-CB 4.05Å; W89-P338 HydrophobicContact CG-CB 3.48Å; W89-P338 VanDerWaalsContact CG-CB 3.48Å; R223-P338 PolarHBondContact NH1-O 2.83Å; R223-P338 VanDerWaalsContact NH2-C 3.34Å; R223-P338 PolarHBondContact NH2-O 2.93Å; L334-P338 VanDerWaalsContact O-CA 3.3Å; L334-P338 WeakPolarHBondContact O-CA 3.32Å |
| 339 | P | 92.7 | Very high | 87.3 | Confident | 7 Ų | 7 | 64.2 Ų | 64.2 | 5% | 0.045 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -80.8 | 170.2 | 177.1 | 36.5 | -38.5 | 0 | 0 | 0 | 112.8 | W89 R96 R223 L334 V341 | W89-P339 HydrophobicContact CE3-CG 4.02Å; W89-P339 HydrophobicContact CZ3-CG 3.81Å; R96-P339 VanDerWaalsContact CZ-CB 3.48Å; R96-P339 VanDerWaalsContact NH1-CB 3.33Å; R223-P339 VanDerWaalsContact NH2-N 3.19Å; L334-P339 HydrophobicContact CD1-CG 4.46Å; L334-P339 VanDerWaalsContact CD2-CD 3.47Å; L334-P339 HydrophobicContact CD2-CG 3.85Å; L334-P339 HydrophobicContact CG-CG 4.16Å; P339-V341 WeakPolarHBondContact O-CG2 3.35Å; P339-V341 PolarHBondContact O-N 2.91Å |
| 340 | P | 91.4 | Very high | 84.7 | Confident | 35 Ų | 35 | 64.3 Ų | 64.3 | 23% | 0.227 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -57.4 | 131.1 | 176.1 | 23.1 | -34.4 | 0 | 0 | 0 | 111.1 | R96 | R96-P340 PolarHBondContact NH1-O 3.3Š|
| 341 | V | 91.8 | Very high | 81.8 | Confident | 21 Ų | 21 | 68 Ų | 68 | 13% | 0.127 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -123.6 | 136.4 | 179.5 | -178.3 | 0 | 0 | 0 | 0 | 109.2 | W89 T94 A209 P339 T343 | W89-V341 HydrophobicContact CB-CG2 4.08Å; W89-V341 HydrophobicContact CD2-CG2 4.3Å; W89-V341 HydrophobicContact CE3-CG2 3.41Å; W89-V341 VanDerWaalsContact CE3-CG2 3.41Å; W89-V341 HydrophobicContact CZ3-CG2 4.19Å; T94-V341 HydrophobicContact CG2-CG1 4.3Å; T94-V341 HydrophobicContact CG2-CG2 4.37Å; A209-V341 HydrophobicContact CB-CG1 4.19Å; P339-V341 WeakPolarHBondContact O-CG2 3.35Å; P339-V341 PolarHBondContact O-N 2.91Å; V341-T343 VanDerWaalsContact C-N 3.34Å |
| 342 | P | 90.9 | Very high | 79 | Confident | 14 Ų | 14 | 73.1 Ų | 73.1 | 9% | 0.091 | 40% | 0.395 | C | S | . | . | S | Bend | cis | -68.3 | -31 | -7 | 27.4 | -35.1 | 0 | 0 | 0 | 112.8 | L211 H221 F345 | L211-P342 HydrophobicContact CD2-CB 3.77Å; L211-P342 HydrophobicContact CD2-CG 3.77Å; L211-P342 HydrophobicContact CG-CB 4.24Å; H221-P342 PolarHBondContact CE1-O 2.94Å; P342-F345 HydrophobicContact CG-CE2 4.14Å; P342-F345 HydrophobicContact CG-CZ 4.28Å |
| 343 | T | 92.4 | Very high | 76.1 | Confident | 5 Ų | 5 | 75.2 Ų | 75.2 | 3% | 0.031 | 42% | 0.419 | C | S | . | . | trans | -148.3 | 173.9 | 179.9 | 55.7 | 0 | 0 | 0 | 0 | 109.5 | L211 L217 H221 V341 F345 | L211-T343 HydrophobicContact CD1-CG2 3.6Å; L211-T343 HydrophobicContact CD2-CG2 3.55Å; L211-T343 HydrophobicContact CG-CG2 4.08Å; L217-T343 HydrophobicContact CD2-CG2 3.29Å; H221-T343 WeakPolarHBondContact ND1-CA 3.4Å; H221-T343 WeakPolarHBondContact ND1-CG2 3.16Å; V341-T343 VanDerWaalsContact C-N 3.34Å; T343-F345 WeakPolarHBondContact OG1-CZ 3.48Å | ||
| 344 | Y | 89.9 | Confident | 73.4 | Confident | 80 Ų | 80 | 75.4 Ų | 75.4 | 31% | 0.314 | 43% | 0.43 | S | S | . | . | trans | -74.3 | 130.7 | 168 | 175 | -94.5 | 0 | 0 | 0 | 110.7 | N220 P346 | N220-Y344 HydrophobicContact CB-CD1 3.34Å; N220-Y344 HydrophobicContact CB-CD2 4.05Å; N220-Y344 HydrophobicContact CB-CE1 3.67Å; N220-Y344 HydrophobicContact CB-CE2 4.35Å; N220-Y344 HydrophobicContact CB-CG 3.53Å; N220-Y344 WeakPolarHBondContact ND2-CE1 3.4Å; N220-Y344 VanDerWaalsContact O-CB 3.28Å; N220-Y344 WeakPolarHBondContact O-CB 3.48Å; Y344-P346 HydrophobicContact CE1-CB 4.34Å | ||
| 345 | F | 85.7 | Confident | 70.6 | Confident | 45 Ų | 45 | 79.5 Ų | 79.5 | 20% | 0.197 | 46% | 0.46 | C | S | . | . | trans | -110.7 | 130.4 | 168.2 | -64 | -73.5 | 0 | 0 | 0 | 108.5 | T215 P342 T343 | T215-F345 HydrophobicContact CG2-CE1 3.78Å; T215-F345 HydrophobicContact CG2-CZ 4.33Å; P342-F345 HydrophobicContact CG-CE2 4.14Å; P342-F345 HydrophobicContact CG-CZ 4.28Å; T343-F345 WeakPolarHBondContact OG1-CZ 3.48Å | ||
| 346 | P | 80.7 | Confident | 67.7 | Low | 73 Ų | 73 | 83.9 Ų | 83.9 | 47% | 0.474 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 142.6 | 171.5 | 27.9 | -32.7 | 0 | 0 | 0 | 108.7 | Y344 S348 | Y344-P346 HydrophobicContact CE1-CB 4.34Å; P346-S348 PolarHBondContact O-N 2.8Å |
| 347 | P | 76.5 | Confident | 65.1 | Low | 104 Ų | 104 | 86.2 Ų | 86.2 | 68% | 0.675 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -56.2 | 129.4 | 172.9 | 24 | -31.6 | 0 | 0 | 0 | 108.6 | I349 | P347-I349 PolarHBondContact O-N 3.1Å; P347-I349 VanDerWaalsContact O-N 3.16Å |
| 348 | S | 62.7 | Low | 62.4 | Low | 97 Ų | 97 | 87.6 Ų | 87.6 | 68% | 0.678 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -58.5 | 121 | 174.8 | 46.6 | 0 | 0 | 0 | 0 | 108.2 | P346 V350 | P346-S348 PolarHBondContact O-N 2.8Å; S348-V350 PolarHBondContact O-N 2.83Å |
| 349 | I | 50.3 | Low | 59.9 | Low | 139 Ų | 139 | 89.6 Ų | 89.6 | 71% | 0.713 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -61.8 | 86.1 | 174.3 | -55.1 | 163.9 | 0 | 0 | 0 | 107.3 | P347 E352 | P347-I349 PolarHBondContact O-N 3.1Å; P347-I349 VanDerWaalsContact O-N 3.16Å; I349-E352 HydrophobicContact CG2-CB 4.14Å; I349-E352 HydrophobicContact CG2-CG 4.38Å |
| 350 | V | 40.2 | Very low | 57.9 | Low | 108 Ų | 108 | 94.9 Ų | 94.9 | 66% | 0.655 | 54% | 0.543 | S | S | * | . | trans | -118.2 | -9.8 | 174.7 | -174.7 | 0 | 0 | 0 | 0 | 110.8 | S348 | S348-V350 PolarHBondContact O-N 2.83Š| ||
| 351 | D | 31.8 | Very low | 56.1 | Low | 150 Ų | 150 | 98.3 Ų | 98.3 | 80% | 0.802 | 57% | 0.568 | S | S | * | * | trans | -130.2 | 43.8 | 179.5 | -66.1 | -39 | 0 | 0 | 0 | 113.6 | ||||
| 352 | E | 33.3 | Very low | 53.8 | Low | 143 Ų | 143 | 102.7 Ų | 102.7 | 67% | 0.668 | 59% | 0.59 | S | S | * | * | trans | -109.7 | 61.5 | 163.1 | -71.3 | -172.8 | -175.8 | 0 | 0 | 110.5 | I349 S354 | I349-E352 HydrophobicContact CG2-CB 4.14Å; I349-E352 HydrophobicContact CG2-CG 4.38Å; E352-S354 PolarHBondContact O-N 3.39Å | ||
| 353 | T | 32.9 | Very low | 51.4 | Low | 144 Ų | 144 | 106.1 Ų | 106.1 | 88% | 0.883 | 61% | 0.613 | S | S | * | * | trans | -79.8 | 33.8 | 158.9 | 49.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 354 | S | 34.3 | Very low | 49.1 | Very low | 91 Ų | 91 | 113.8 Ų | 113.8 | 64% | 0.636 | 65% | 0.653 | S | S | * | * | trans | -136.6 | 53.1 | 168.3 | 61.3 | 0 | 0 | 0 | 0 | 109 | E352 T356 | E352-S354 PolarHBondContact O-N 3.39Å; S354-T356 PolarHBondContact O-N 3.38Å | ||
| 355 | S | 33.2 | Very low | 47 | Very low | 101 Ų | 101 | 114.4 Ų | 114.4 | 71% | 0.706 | 66% | 0.662 | S | S | * | * | trans | -65.3 | 84.9 | 151.3 | 60 | 0 | 0 | 0 | 0 | 106.7 | Q357 | S355-Q357 PolarHBondContact O-N 2.85Š| ||
| 356 | T | 32.9 | Very low | 45.5 | Very low | 113 Ų | 113 | 118.9 Ų | 118.9 | 69% | 0.693 | 69% | 0.693 | S | S | * | * | trans | -49.7 | 112.9 | 152.5 | -50 | 0 | 0 | 0 | 0 | 104.6 | S354 L358 | S354-T356 PolarHBondContact O-N 3.38Å; T356-L358 PolarHBondContact O-N 2.96Å | ||
| 357 | Q | 37.2 | Very low | 44.6 | Very low | 182 Ų | 182 | 120.5 Ų | 120.5 | 85% | 0.85 | 70% | 0.697 | S | S | * | * | trans | -58.7 | 96.7 | 169.2 | -71 | -176.6 | -17.8 | 0 | 0 | 105.7 | S355 D359 | S355-Q357 PolarHBondContact O-N 2.85Å; Q357-D359 PolarHBondContact O-N 3.04Å | ||
| 358 | L | 36.1 | Very low | 44.7 | Very low | 130 Ų | 130 | 120 Ų | 120 | 68% | 0.681 | 69% | 0.689 | S | S | * | * | trans | -70 | 119.4 | 167.8 | -73.3 | 168.5 | 0 | 0 | 0 | 105.6 | T356 | T356-L358 PolarHBondContact O-N 2.96Š| ||
| 359 | D | 40.4 | Very low | 45.6 | Very low | 100 Ų | 100 | 118.5 Ų | 118.5 | 54% | 0.535 | 67% | 0.673 | S | S | . | * | trans | -50.9 | 126.1 | 176.2 | -83.5 | -37.8 | 0 | 0 | 0 | 109.6 | Q357 S361 L362 | Q357-D359 PolarHBondContact O-N 3.04Å; D359-S361 PolarHBondContact O-N 3.25Å; D359-L362 PolarHBondContact O-N 2.68Å | ||
| 360 | P | 50.6 | Low | 47.2 | Very low | 118 Ų | 118 | 115.8 Ų | 115.8 | 77% | 0.766 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.4 | -12.4 | 176.9 | -24.3 | 32.4 | 0 | 0 | 0 | 114.3 | ||
| 361 | S | 54 | Low | 49.2 | Very low | 106 Ų | 106 | 118 Ų | 118 | 74% | 0.741 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | -7.2 | 176.5 | 53.5 | 0 | 0 | 0 | 0 | 114.8 | D359 | D359-S361 PolarHBondContact O-N 3.25Š|
| 362 | L | 43.1 | Very low | 51.7 | Low | 113 Ų | 113 | 116.9 Ų | 116.9 | 59% | 0.592 | 65% | 0.65 | S | S | * | * | trans | -95.8 | -0.2 | 174.3 | -74.4 | 174.1 | 0 | 0 | 0 | 113.8 | D359 L364 | D359-L362 PolarHBondContact O-N 2.68Å; L362-L364 PolarHBondContact O-N 3.07Å | ||
| 363 | C | 41.1 | Very low | 54.5 | Low | 87 Ų | 87 | 110.6 Ų | 110.6 | 59% | 0.588 | 62% | 0.621 | S | S | * | * | trans | -75.2 | 62.3 | 175.4 | -61.9 | 0 | 0 | 0 | 0 | 112.6 | D365 | C363-D365 VanDerWaalsContact C-N 3.29Š| ||
| 364 | L | 44.8 | Very low | 57.5 | Low | 165 Ų | 165 | 107.8 Ų | 107.8 | 86% | 0.864 | 60% | 0.599 | S | S | * | * | trans | -105.5 | 44.2 | 142.5 | -72.3 | 173.5 | 0 | 0 | 0 | 107.7 | L362 V366 | L362-L364 PolarHBondContact O-N 3.07Å; L364-V366 VanDerWaalsContact C-N 3.29Å; L364-V366 PolarHBondContact O-N 2.9Å | ||
| 365 | D | 45.4 | Very low | 60.4 | Low | 94 Ų | 94 | 105 Ų | 105 | 50% | 0.503 | 58% | 0.575 | S | S | . | * | trans | -72.7 | 93.7 | 174.4 | -60.2 | -45.6 | 0 | 0 | 0 | 107.1 | C363 D367 | C363-D365 VanDerWaalsContact C-N 3.29Å; D365-D367 PolarHBondContact O-N 2.81Å | ||
| 366 | V | 54.6 | Low | 63.5 | Low | 139 Ų | 139 | 102.4 Ų | 102.4 | 84% | 0.842 | 55% | 0.552 | S | S | * | * | trans | -65.4 | 71.6 | 153.8 | -175.4 | 0 | 0 | 0 | 0 | 105.5 | L364 D368 | L364-V366 VanDerWaalsContact C-N 3.29Å; L364-V366 PolarHBondContact O-N 2.9Å; V366-D368 VanDerWaalsContact C-N 3.34Å; V366-D368 PolarHBondContact O-N 2.87Å | ||
| 367 | D | 62.5 | Low | 66.4 | Low | 106 Ų | 106 | 104.9 Ų | 104.9 | 57% | 0.567 | 56% | 0.555 | S | S | * | * | trans | -62 | 99.9 | 174.2 | -77.2 | -35.4 | 0 | 0 | 0 | 106.6 | K302 D365 D369 | K302-D367 PolarHBondContact NZ-O 2.81Å; D365-D367 PolarHBondContact O-N 2.81Å; D367-D369 PolarHBondContact O-N 3.02Å | ||
| 368 | D | 78 | Confident | 69.2 | Low | 94 Ų | 94 | 98.3 Ų | 98.3 | 50% | 0.503 | 53% | 0.529 | S | S | . | . | trans | -58 | 110.7 | 179 | -173.6 | -9.8 | 0 | 0 | 0 | 108.1 | V366 F370 E371 | V366-D368 VanDerWaalsContact C-N 3.34Å; V366-D368 PolarHBondContact O-N 2.87Å; D368-F370 PolarHBondContact O-N 2.76Å; D368-F370 WeakPolarHBondContact OD1-CD2 3.35Å; D368-F370 PolarHBondContact OD1-N 3.29Å; D368-F370 VanDerWaalsContact OD1-N 3.1Å; D368-E371 HydrophobicContact CB-CB 4.43Å; D368-E371 PolarHBondContact O-N 2.98Å; D368-E371 VanDerWaalsContact O-N 3.14Å | ||
| 369 | D | 81 | Confident | 72.1 | Confident | 66 Ų | 66 | 92.1 Ų | 92.1 | 35% | 0.353 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -12.3 | -176.7 | -75.1 | -32.5 | 0 | 0 | 0 | 113.2 | N300 K302 L303 D367 | N300-D369 PolarHBondContact ND2-O 3.33Å; K302-D369 WeakPolarHBondContact CE-OD1 3.49Å; K302-D369 IonicContact NZ-OD1 3.87Å; K302-D369 PolarHBondContact NZ-OD1 3.41Å; L303-D369 HydrophobicContact CD1-CB 3.9Å; L303-D369 HydrophobicContact CD2-CB 4.22Å; L303-D369 HydrophobicContact CG-CB 4.09Å; D367-D369 PolarHBondContact O-N 3.02Å |
| 370 | F | 83.2 | Confident | 74.7 | Confident | 81 Ų | 81 | 89.1 Ų | 89.1 | 36% | 0.355 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | 2.6 | -175.4 | -55.5 | -76 | 0 | 0 | 0 | 114.7 | L303 D368 Q372 D373 | L303-F370 HydrophobicContact CD1-CE1 3.81Å; L303-F370 HydrophobicContact CD1-CZ 3.94Å; D368-F370 PolarHBondContact O-N 2.76Å; D368-F370 WeakPolarHBondContact OD1-CD2 3.35Å; D368-F370 PolarHBondContact OD1-N 3.29Å; D368-F370 VanDerWaalsContact OD1-N 3.1Å; F370-Q372 VanDerWaalsContact C-N 3.32Å; F370-Q372 PolarHBondContact O-N 2.95Å; F370-D373 WeakPolarHBondContact O-CB 3.48Å; F370-D373 PolarHBondContact O-N 2.9Å |
| 371 | E | 82 | Confident | 76.7 | Confident | 154 Ų | 154 | 84.3 Ų | 84.3 | 72% | 0.72 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -37 | -179.8 | -170.6 | 177.8 | -172.2 | 0 | 0 | 112.1 | D368 D373 | D368-E371 HydrophobicContact CB-CB 4.43Å; D368-E371 PolarHBondContact O-N 2.98Å; D368-E371 VanDerWaalsContact O-N 3.14Å; E371-D373 PolarHBondContact O-N 3.02Å |
| 372 | Q | 84.7 | Confident | 78.3 | Confident | 127 Ų | 127 | 83.6 Ų | 83.6 | 59% | 0.593 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | 16.7 | -178.1 | -60.8 | -178.6 | 0.4 | 0 | 0 | 113.8 | P301 F370 I374 | P301-Q372 VanDerWaalsContact CD-O 3.26Å; P301-Q372 WeakPolarHBondContact CD-O 3.39Å; P301-Q372 HydrophobicContact CG-CB 4.17Å; F370-Q372 VanDerWaalsContact C-N 3.32Å; F370-Q372 PolarHBondContact O-N 2.95Å; Q372-I374 PolarHBondContact O-N 3.02Å |
| 373 | D | 92.9 | Very high | 80.4 | Confident | 12 Ų | 12 | 86.4 Ų | 86.4 | 6% | 0.064 | 45% | 0.448 | C | S | . | . | trans | -74.2 | 130.4 | -176 | -80.5 | 19.4 | 0 | 0 | 0 | 112.2 | R298 N300 F370 E371 Y375 | R298-D373 IonicContact CZ-OD2 2.6Å; R298-D373 IonicContact NE-OD2 3.04Å; R298-D373 PolarHBondContact NE-OD2 3.31Å; R298-D373 IonicContact NH2-OD2 2.69Å; R298-D373 PolarHBondContact NH2-OD2 3.48Å; N300-D373 WeakPolarHBondContact CA-OD1 3.26Å; N300-D373 WeakPolarHBondContact CB-OD1 3.44Å; N300-D373 PolarHBondContact ND2-OD1 2.82Å; F370-D373 WeakPolarHBondContact O-CB 3.48Å; F370-D373 PolarHBondContact O-N 2.9Å; E371-D373 PolarHBondContact O-N 3.02Å; D373-Y375 HydrophobicContact CB-CD2 4.3Å; D373-Y375 HydrophobicContact CB-CE2 3.57Å; D373-Y375 VanDerWaalsContact O-CD2 3.31Å; D373-Y375 WeakPolarHBondContact O-CD2 3.2Å | ||
| 374 | I | 94.9 | Very high | 82.8 | Confident | 84 Ų | 84 | 83.8 Ų | 83.8 | 43% | 0.431 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 119.6 | 178.2 | -48.7 | 173.1 | 0 | 0 | 0 | 107.4 | V224 R298 I299 Q372 | V224-I374 HydrophobicContact CB-CG2 4.28Å; V224-I374 HydrophobicContact CG2-CB 3.9Å; V224-I374 HydrophobicContact CG2-CG2 3.63Å; V224-I374 WeakPolarHBondContact CG2-O 3.46Å; R298-I374 CarbonylContact C-O 3.58Å; R298-I374 VanDerWaalsContact CA-O 3.26Å; R298-I374 WeakPolarHBondContact CA-O 3.43Å; I299-I374 PolarHBondContact N-O 3.03Å; I299-I374 PolarHBondContact O-N 3.5Å; Q372-I374 PolarHBondContact O-N 3.02Å |
| 375 | Y | 96.5 | Very high | 85.2 | Confident | 33 Ų | 33 | 81.1 Ų | 81.1 | 13% | 0.129 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 146.1 | -179 | -66.5 | -92.4 | 0 | 0 | 0 | 111.7 | R298 D373 I379 P381 S382 Y383 | R298-Y375 HydrophobicContact CB-CD1 4.34Å; R298-Y375 HydrophobicContact CG-CD1 4.13Å; R298-Y375 HydrophobicContact CG-CE1 4.07Å; R298-Y375 PolarHBondContact NH1-OH 2.89Å; R298-Y375 PolarHBondContact NH2-OH 3.45Å; D373-Y375 HydrophobicContact CB-CD2 4.3Å; D373-Y375 HydrophobicContact CB-CE2 3.57Å; D373-Y375 VanDerWaalsContact O-CD2 3.31Å; D373-Y375 WeakPolarHBondContact O-CD2 3.2Å; Y375-I379 HydrophobicContact CD1-CB 4.27Å; Y375-I379 HydrophobicContact CD1-CD1 4.25Å; Y375-I379 HydrophobicContact CD1-CG2 3.69Å; Y375-I379 HydrophobicContact CE1-CG2 4.27Å; Y375-P381 HydrophobicContact CD2-CB 4.09Å; Y375-P381 HydrophobicContact CD2-CG 4.44Å; Y375-P381 HydrophobicContact CE2-CB 4.14Å; Y375-P381 HydrophobicContact CG-CB 4.29Å; Y375-P381 HydrophobicContact CG-CG 4.37Å; Y375-S382 PolarHBondContact OH-OG 2.8Å; Y375-Y383 HydrophobicContact CD2-CE1 4.4Å; Y375-Y383 HydrophobicContact CE2-CE1 4.06Å |
| 376 | H | 96.8 | Very high | 87.4 | Confident | 47 Ų | 47 | 81.8 Ų | 81.8 | 22% | 0.218 | 43% | 0.434 | C | S | . | . | trans | -71.9 | 147.8 | 168.7 | -173.5 | -100.6 | 0 | 0 | 0 | 109.1 | V224 V297 S378 I379 | V224-H376 VanDerWaalsContact CG1-CA 3.43Å; V224-H376 HydrophobicContact CG1-CB 3.52Å; V224-H376 VanDerWaalsContact CG1-N 3.34Å; V297-H376 HydrophobicContact CG1-CB 3.74Å; V297-H376 VanDerWaalsContact O-CB 3.24Å; V297-H376 WeakPolarHBondContact O-CB 3.44Å; V297-H376 PolarHBondContact O-N 2.91Å; H376-S378 WeakPolarHBondContact ND1-CB 3.06Å; H376-S378 PolarHBondContact ND1-N 3.09Å; H376-S378 PolarHBondContact ND1-OG 3.33Å; H376-S378 PolarHBondContact O-N 3.41Å; H376-I379 PolarHBondContact O-N 2.75Å | ||
| 377 | E | 95.5 | Very high | 89.2 | Confident | 164 Ų | 164 | 78 Ų | 78 | 77% | 0.766 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -27.4 | -176.8 | -62.9 | 175.1 | -176.8 | 0 | 0 | 113.9 | K112 | K112-E377 VanDerWaalsContact CD-O 3.28Å; K112-E377 WeakPolarHBondContact CD-O 3.28Å; K112-E377 WeakPolarHBondContact CE-O 3.31Å; K112-E377 PolarHBondContact NZ-O 3.41Å |
| 378 | S | 95.2 | Very high | 90.6 | Very high | 44 Ų | 44 | 78.1 Ų | 78.1 | 31% | 0.308 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -20.5 | 179.2 | 69.6 | 0 | 0 | 0 | 0 | 114.8 | T111 K112 H376 | T111-S378 CarbonylContact C-O 3.57Å; T111-S378 WeakPolarHBondContact CA-O 3.33Å; T111-S378 WeakPolarHBondContact CB-O 3.09Å; K112-S378 PolarHBondContact N-O 2.88Å; H376-S378 WeakPolarHBondContact ND1-CB 3.06Å; H376-S378 PolarHBondContact ND1-N 3.09Å; H376-S378 PolarHBondContact ND1-OG 3.33Å; H376-S378 PolarHBondContact O-N 3.41Å |
| 379 | I | 96.6 | Very high | 91.1 | Very high | 1 Ų | 1 | 79.5 Ų | 79.5 | 1% | 0.005 | 42% | 0.417 | C | S | . | . | B | Isolated β-bridge | trans | -79.6 | 143.9 | 178 | -66.7 | 174.6 | 0 | 0 | 0 | 109.3 | L109 K112 V297 R298 Y375 H376 P381 | L109-I379 HydrophobicContact CD1-CD1 3.95Å; K112-I379 VanDerWaalsContact CE-O 3.31Å; K112-I379 WeakPolarHBondContact CE-O 3.35Å; V297-I379 HydrophobicContact CB-CD1 3.71Å; V297-I379 HydrophobicContact CB-CG1 4.35Å; V297-I379 HydrophobicContact CG1-CD1 3.14Å; V297-I379 HydrophobicContact CG1-CG1 3.27Å; V297-I379 WeakPolarHBondContact O-CD1 3.36Å; R298-I379 HydrophobicContact CB-CD1 4.07Å; Y375-I379 HydrophobicContact CD1-CB 4.27Å; Y375-I379 HydrophobicContact CD1-CD1 4.25Å; Y375-I379 HydrophobicContact CD1-CG2 3.69Å; Y375-I379 HydrophobicContact CE1-CG2 4.27Å; H376-I379 PolarHBondContact O-N 2.75Å; I379-P381 WeakPolarHBondContact O-CD 3.28Å |
| 380 | H | 95.6 | Very high | 91.4 | Very high | 37 Ų | 37 | 79.4 Ų | 79.4 | 17% | 0.171 | 42% | 0.422 | C | S | . | . | trans | -81.3 | 113 | 163 | -176.6 | -91.3 | 0 | 0 | 0 | 110.4 | W110 K112 S384 P385 I387 | W110-H380 PolarHBondContact O-N 3.26Å; K112-H380 HydrophobicContact CG-CB 4.41Å; H380-S384 PolarHBondContact CD2-OG 2.88Å; H380-S384 VanDerWaalsContact CD2-OG 3.31Å; H380-S384 PolarHBondContact CE1-O 3.5Å; H380-S384 PolarHBondContact CE1-OG 3.3Å; H380-S384 PolarHBondContact NE2-OG 2.92Å; H380-P385 PolarHBondContact CE1-O 3.12Å; H380-P385 PolarHBondContact NE2-O 3.09Å; H380-I387 HydrophobicContact CB-CD1 4.21Å; H380-I387 WeakPolarHBondContact CD2-CG1 3.34Å | ||
| 381 | P | 93.3 | Very high | 91.3 | Very high | 16 Ų | 16 | 84.3 Ų | 84.3 | 10% | 0.104 | 45% | 0.446 | C | S | . | . | trans | -67.1 | 148.3 | 179.4 | -18.5 | 30.8 | 0 | 0 | 0 | 112.5 | Y375 I379 Y383 S384 | Y375-P381 HydrophobicContact CD2-CB 4.09Å; Y375-P381 HydrophobicContact CD2-CG 4.44Å; Y375-P381 HydrophobicContact CE2-CB 4.14Å; Y375-P381 HydrophobicContact CG-CB 4.29Å; Y375-P381 HydrophobicContact CG-CG 4.37Å; I379-P381 WeakPolarHBondContact O-CD 3.28Å; P381-Y383 VanDerWaalsContact C-N 3.27Å; P381-Y383 HydrophobicContact CB-CD1 3.9Å; P381-Y383 HydrophobicContact CB-CE1 3.47Å; P381-Y383 VanDerWaalsContact CB-CE1 3.47Å; P381-Y383 HydrophobicContact CB-CE2 4.2Å; P381-Y383 HydrophobicContact CB-CG 4.42Å; P381-Y383 HydrophobicContact CG-CE1 4.39Å; P381-Y383 PolarHBondContact O-N 3.25Å; P381-S384 WeakPolarHBondContact CD-OG 3.14Å; P381-S384 WeakPolarHBondContact O-CB 3.36Å; P381-S384 PolarHBondContact O-N 3.13Å; P381-S384 PolarHBondContact O-OG 3.03Å | ||
| 382 | S | 86.5 | Confident | 91.1 | Very high | 91 Ų | 91 | 86 Ų | 86 | 64% | 0.636 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -31.9 | -177.8 | 49.6 | 0 | 0 | 0 | 0 | 114.4 | Y375 S384 | Y375-S382 PolarHBondContact OH-OG 2.8Å; S382-S384 VanDerWaalsContact C-N 3.32Å |
| 383 | Y | 88.4 | Confident | 90.1 | Very high | 173 Ų | 173 | 83.7 Ų | 83.7 | 68% | 0.678 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -8.2 | 179.4 | 60.1 | -96.3 | 0 | 0 | 0 | 113.3 | Y375 P381 | Y375-Y383 HydrophobicContact CD2-CE1 4.4Å; Y375-Y383 HydrophobicContact CE2-CE1 4.06Å; P381-Y383 VanDerWaalsContact C-N 3.27Å; P381-Y383 HydrophobicContact CB-CD1 3.9Å; P381-Y383 HydrophobicContact CB-CE1 3.47Å; P381-Y383 VanDerWaalsContact CB-CE1 3.47Å; P381-Y383 HydrophobicContact CB-CE2 4.2Å; P381-Y383 HydrophobicContact CB-CG 4.42Å; P381-Y383 HydrophobicContact CG-CE1 4.39Å; P381-Y383 PolarHBondContact O-N 3.25Å |
| 384 | S | 91.4 | Very high | 88.1 | Confident | 31 Ų | 31 | 93 Ų | 93 | 22% | 0.217 | 50% | 0.497 | C | S | . | . | S | Bend | trans | -82 | 148.2 | -177.9 | 69.8 | 0 | 0 | 0 | 0 | 111.4 | H380 P381 S382 | H380-S384 PolarHBondContact CD2-OG 2.88Å; H380-S384 VanDerWaalsContact CD2-OG 3.31Å; H380-S384 PolarHBondContact CE1-O 3.5Å; H380-S384 PolarHBondContact CE1-OG 3.3Å; H380-S384 PolarHBondContact NE2-OG 2.92Å; P381-S384 WeakPolarHBondContact CD-OG 3.14Å; P381-S384 WeakPolarHBondContact O-CB 3.36Å; P381-S384 PolarHBondContact O-N 3.13Å; P381-S384 PolarHBondContact O-OG 3.03Å; S382-S384 VanDerWaalsContact C-N 3.32Å |
| 385 | P | 93.6 | Very high | 87.7 | Confident | 110 Ų | 110 | 93.5 Ų | 93.5 | 71% | 0.714 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -60.3 | 159.6 | -179.5 | 26.2 | -35.3 | 0 | 0 | 0 | 111.5 | H380 | H380-P385 PolarHBondContact CE1-O 3.12Å; H380-P385 PolarHBondContact NE2-O 3.09Å |
| 386 | S | 92.9 | Very high | 87.3 | Confident | 107 Ų | 107 | 96.6 Ų | 96.6 | 75% | 0.748 | 52% | 0.52 | S | S | * | . | P | Polyproline II helix | trans | -54.5 | 141.8 | 178.7 | 48 | 0 | 0 | 0 | 0 | 111.7 | S388 | S386-S388 PolarHBondContact O-N 3.23Š|
| 387 | I | 91.8 | Very high | 86.7 | Confident | 59 Ų | 59 | 99.4 Ų | 99.4 | 30% | 0.303 | 54% | 0.537 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 121.3 | -179.5 | -58.3 | 168.4 | 0 | 0 | 0 | 108.9 | H380 Y389 | H380-I387 HydrophobicContact CB-CD1 4.21Å; H380-I387 WeakPolarHBondContact CD2-CG1 3.34Å; I387-Y389 HydrophobicContact CG2-CE1 4.03Å; I387-Y389 HydrophobicContact CG2-CE2 3.91Å |
| 388 | S | 91.2 | Very high | 86.2 | Confident | 110 Ų | 110 | 95.6 Ų | 95.6 | 77% | 0.769 | 52% | 0.523 | S | S | * | . | trans | -111 | 128.6 | 170.9 | 57.6 | 0 | 0 | 0 | 0 | 109.8 | S386 | S386-S388 PolarHBondContact O-N 3.23Š| ||
| 389 | Y | 88.9 | Confident | 85.6 | Confident | 123 Ų | 123 | 98.8 Ų | 98.8 | 48% | 0.482 | 54% | 0.537 | S | S | . | . | trans | -95.4 | 114.3 | 172 | -56.6 | -82.5 | 0 | 0 | 0 | 108.1 | T113 G114 I387 | T113-Y389 PolarHBondContact O-OH 2.92Å; T113-Y389 VanDerWaalsContact O-OH 3.12Å; G114-Y389 VanDerWaalsContact CA-OH 3.28Å; G114-Y389 WeakPolarHBondContact CA-OH 3.3Å; G114-Y389 PolarHBondContact N-OH 2.94Å; I387-Y389 HydrophobicContact CG2-CE1 4.03Å; I387-Y389 HydrophobicContact CG2-CE2 3.91Å | ||
| 390 | S | 87.1 | Confident | 84.9 | Confident | 64 Ų | 64 | 105.3 Ų | 105.3 | 45% | 0.448 | 57% | 0.572 | S | S | . | * | trans | -74.1 | 144.3 | 168.6 | 52.2 | 0 | 0 | 0 | 0 | 109.2 | E392 S393 | S390-E392 PolarHBondContact O-N 2.72Å; S390-E392 VanDerWaalsContact O-N 3.11Å; S390-S393 PolarHBondContact O-N 3.22Å; S390-S393 PolarHBondContact O-OG 3.11Å | ||
| 391 | E | 81.8 | Confident | 84.2 | Confident | 183 Ų | 183 | 110.2 Ų | 110.2 | 86% | 0.855 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -56.4 | -27.4 | 176.9 | -65.9 | -175.9 | 170.8 | 0 | 0 | 112.1 | S393 | E391-S393 PolarHBondContact O-N 2.95Š|
| 392 | E | 76.4 | Confident | 83.5 | Confident | 191 Ų | 191 | 117.5 Ų | 117.5 | 89% | 0.893 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -67 | -13.7 | 176.1 | -61 | -179.9 | 171.8 | 0 | 0 | 114.4 | S390 | S390-E392 PolarHBondContact O-N 2.72Å; S390-E392 VanDerWaalsContact O-N 3.11Å |
| 393 | S | 63.9 | Low | 83.2 | Confident | 78 Ų | 78 | 119.7 Ų | 119.7 | 55% | 0.545 | 64% | 0.639 | S | S | . | * | G | 310 helix | trans | -105.2 | -1.7 | -175.9 | 67.6 | 0 | 0 | 0 | 0 | 114.9 | S390 E391 | S390-S393 PolarHBondContact O-N 3.22Å; S390-S393 PolarHBondContact O-OG 3.11Å; E391-S393 PolarHBondContact O-N 2.95Å |
| 394 | M | 50.9 | Low | 82.7 | Confident | 207 Ų | 207 | 114.8 Ų | 114.8 | 100% | 1.02 | 64% | 0.636 | S | S | * | * | trans | -94 | 0 | 170.9 | -68.7 | -166.1 | -168.8 | 0 | 0 | 110.7 |
Retrieved 394 of 394 residues in 122 ms
(Link to these results)