| 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 | 35.9 | Very low | 41.4 | Very low | 244 Ų | 244 | 160.5 Ų | 160.5 | 100% | 1.202 | 84% | 0.844 | S | S | * | * | 0 | 134 | 0 | -75.4 | 169.2 | 166.9 | 0 | 0 | 107.4 | |||||
| 2 | A | 40 | Very low | 41.4 | Very low | 90 Ų | 90 | 160.8 Ų | 160.8 | 74% | 0.744 | 84% | 0.844 | S | S | * | * | trans | 19.1 | 97.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 3 | T | 39.6 | Very low | 41.5 | Very low | 139 Ų | 139 | 162.2 Ų | 162.2 | 85% | 0.853 | 84% | 0.843 | S | S | * | * | 71 | 113.6 | 78.5 | 61.4 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 4 | D | 36.7 | Very low | 41.3 | Very low | 146 Ų | 146 | 160.7 Ų | 160.7 | 78% | 0.781 | 84% | 0.844 | S | S | * | * | trans | -52.7 | 161.2 | 169.5 | -85.3 | -67.2 | 0 | 0 | 0 | 115.8 | ||||
| 5 | N | 46.7 | Very low | 42.1 | Very low | 157 Ų | 157 | 157.4 Ų | 157.4 | 84% | 0.84 | 84% | 0.84 | S | S | * | * | trans | -150.6 | 91.6 | 134.9 | -115.4 | -52.9 | 0 | 0 | 0 | 111.8 | ||||
| 6 | F | 42.7 | Very low | 42.5 | Very low | 173 Ų | 173 | 158.5 Ų | 158.5 | 76% | 0.759 | 84% | 0.838 | S | S | * | * | trans | -86.5 | 126 | 165.2 | -171.9 | -85.6 | 0 | 0 | 0 | 108.2 | ||||
| 7 | K | 44.4 | Very low | 42.8 | Very low | 196 Ų | 196 | 156.3 Ų | 156.3 | 85% | 0.852 | 84% | 0.835 | S | S | * | * | trans | -132.4 | 119.9 | 160.6 | -93.4 | -166.7 | 174.5 | -172.7 | 0 | 111.8 | ||||
| 8 | S | 47.3 | Very low | 43 | Very low | 84 Ų | 84 | 154.8 Ų | 154.8 | 59% | 0.587 | 83% | 0.833 | S | S | * | * | trans | -67.9 | 157.5 | -175 | 41.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 9 | N | 40.4 | Very low | 42.9 | Very low | 168 Ų | 168 | 159.4 Ų | 159.4 | 90% | 0.898 | 84% | 0.837 | S | S | * | * | trans | -52.3 | 136.9 | 153.8 | -64.6 | -36.2 | 0 | 0 | 0 | 109.9 | ||||
| 10 | E | 43.6 | Very low | 43 | Very low | 182 Ų | 182 | 157.6 Ų | 157.6 | 85% | 0.85 | 83% | 0.827 | S | S | * | * | trans | -115.7 | 121.9 | 169 | -156.7 | 166.5 | 151.7 | 0 | 0 | 108.5 | ||||
| 11 | M | 38.3 | Very low | 43.2 | Very low | 187 Ų | 187 | 160.4 Ų | 160.4 | 92% | 0.921 | 83% | 0.826 | S | S | * | * | trans | -74.9 | 132.6 | 177.1 | -73.6 | 174.9 | 166.8 | 0 | 0 | 109.3 | E13 | M11-E13 PolarHBondContact O-N 3.4Š| ||
| 12 | I | 41.1 | Very low | 43.8 | Very low | 164 Ų | 164 | 157.5 Ų | 157.5 | 84% | 0.841 | 82% | 0.815 | S | S | * | * | trans | -83.9 | 111.1 | 171.4 | -59.1 | 176.9 | 0 | 0 | 0 | 108.4 | ||||
| 13 | E | 42.4 | Very low | 43.8 | Very low | 179 Ų | 179 | 158 Ų | 158 | 84% | 0.836 | 81% | 0.809 | S | S | * | * | trans | -72.5 | 133.1 | 175.7 | -171.5 | 174 | -179.6 | 0 | 0 | 110.9 | M11 S15 | M11-E13 PolarHBondContact O-N 3.4Å; E13-S15 PolarHBondContact O-N 3.49Å | ||
| 14 | V | 39 | Very low | 43.6 | Very low | 141 Ų | 141 | 156.9 Ų | 156.9 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | trans | -93.2 | 100.3 | -178.9 | -174.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 15 | S | 53 | Low | 43.8 | Very low | 111 Ų | 111 | 155.9 Ų | 155.9 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 139.5 | 179.4 | 50.9 | 0 | 0 | 0 | 0 | 113.1 | E13 | E13-S15 PolarHBondContact O-N 3.49Š|
| 16 | E | 49.5 | Very low | 43.6 | Very low | 175 Ų | 175 | 155.6 Ų | 155.6 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -72 | 156 | -170.5 | -69.1 | -169.5 | 141.7 | 0 | 0 | 115 | V18 | E16-V18 PolarHBondContact O-N 3.35Š|
| 17 | P | 46.8 | Very low | 43.4 | Very low | 121 Ų | 121 | 152.6 Ų | 152.6 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 120.3 | 179.8 | 28.2 | -35.6 | 0 | 0 | 0 | 113.5 | R19 | P17-R19 PolarHBondContact O-N 2.95Š|
| 18 | V | 47 | Very low | 43.1 | Very low | 130 Ų | 130 | 152.2 Ų | 152.2 | 79% | 0.788 | 78% | 0.781 | S | S | * | * | trans | -71.8 | 115.8 | 175.1 | -179.4 | 0 | 0 | 0 | 0 | 111 | E16 I20 | E16-V18 PolarHBondContact O-N 3.35Å; V18-I20 HydrophobicContact CG1-CD1 4.42Å; V18-I20 HydrophobicContact CG1-CG1 4.2Å | ||
| 19 | R | 41 | Very low | 42.5 | Very low | 241 Ų | 241 | 156.6 Ų | 156.6 | 91% | 0.909 | 79% | 0.79 | S | S | * | * | trans | -87.3 | 129.1 | 171 | -66.4 | -169.9 | -169.9 | -168.7 | 5.8 | 111.6 | P17 | P17-R19 PolarHBondContact O-N 2.95Š| ||
| 20 | I | 44.9 | Very low | 42.4 | Very low | 124 Ų | 124 | 154.8 Ų | 154.8 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | trans | -132.4 | 117.2 | 165 | -58.5 | 177.2 | 0 | 0 | 0 | 108.8 | V18 | V18-I20 HydrophobicContact CG1-CD1 4.42Å; V18-I20 HydrophobicContact CG1-CG1 4.2Å | ||
| 21 | R | 47.1 | Very low | 42 | Very low | 217 Ų | 217 | 153.8 Ų | 153.8 | 82% | 0.819 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 49.2 | 76.6 | 167.1 | -62.2 | 178.1 | -178.3 | 157.3 | 1.3 | 116 | T23 | R21-T23 PolarHBondContact O-N 3.44Å; R21-T23 PolarHBondContact O-OG1 3.35Å; R21-T23 VanDerWaalsContact O-OG1 3.08Å |
| 22 | D | 48.9 | Very low | 41.8 | Very low | 182 Ų | 182 | 149.9 Ų | 149.9 | 97% | 0.973 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 50.3 | 11.2 | 159.6 | -55 | -30.2 | 0 | 0 | 0 | 118.4 | ||
| 23 | T | 39.4 | Very low | 41.5 | Very low | 100 Ų | 100 | 150 Ų | 150 | 61% | 0.613 | 77% | 0.768 | S | S | * | * | trans | -119.5 | 108.4 | 179.2 | -47.6 | 0 | 0 | 0 | 0 | 107.5 | R21 I25 | R21-T23 PolarHBondContact O-N 3.44Å; R21-T23 PolarHBondContact O-OG1 3.35Å; R21-T23 VanDerWaalsContact O-OG1 3.08Å; T23-I25 VanDerWaalsContact C-N 3.28Å; T23-I25 HydrophobicContact CG2-CG1 3.96Å; T23-I25 PolarHBondContact O-N 3.45Å | ||
| 24 | C | 35.5 | Very low | 40.9 | Very low | 116 Ų | 116 | 149 Ų | 149 | 78% | 0.784 | 77% | 0.765 | S | S | * | * | trans | -76.5 | 82.9 | 177.9 | -158 | 0 | 0 | 0 | 0 | 109.6 | F26 | C24-F26 PolarHBondContact O-N 3.18Š| ||
| 25 | I | 41.6 | Very low | 41 | Very low | 126 Ų | 126 | 148.9 Ų | 148.9 | 65% | 0.646 | 76% | 0.759 | S | S | * | * | trans | -76.9 | 102.2 | 173.5 | -57.5 | -180 | 0 | 0 | 0 | 107.7 | T23 V27 | T23-I25 VanDerWaalsContact C-N 3.28Å; T23-I25 HydrophobicContact CG2-CG1 3.96Å; T23-I25 PolarHBondContact O-N 3.45Å; I25-V27 VanDerWaalsContact C-N 3.28Å; I25-V27 HydrophobicContact CG2-CG2 3.88Å; I25-V27 PolarHBondContact O-N 3.08Å | ||
| 26 | F | 41.1 | Very low | 40.5 | Very low | 151 Ų | 151 | 151.8 Ų | 151.8 | 66% | 0.662 | 76% | 0.76 | S | S | * | * | trans | -66 | 93.2 | 160.6 | -90.3 | -94.9 | 0 | 0 | 0 | 108.5 | C24 Y28 | C24-F26 PolarHBondContact O-N 3.18Å; F26-Y28 HydrophobicContact CB-CD2 4.01Å; F26-Y28 HydrophobicContact CB-CE2 3.7Å; F26-Y28 HydrophobicContact CD1-CE2 4.37Å; F26-Y28 HydrophobicContact CG-CE2 4.32Å; F26-Y28 PolarHBondContact O-N 2.92Å | ||
| 27 | V | 40.3 | Very low | 40.5 | Very low | 110 Ų | 110 | 145.6 Ų | 145.6 | 67% | 0.667 | 74% | 0.739 | S | S | * | * | trans | -70.2 | 90 | 166.1 | -175.2 | 0 | 0 | 0 | 0 | 106.8 | I25 F29 | I25-V27 VanDerWaalsContact C-N 3.28Å; I25-V27 HydrophobicContact CG2-CG2 3.88Å; I25-V27 PolarHBondContact O-N 3.08Å; V27-F29 HydrophobicContact CG1-CD2 4.33Å; V27-F29 PolarHBondContact O-N 2.65Å | ||
| 28 | Y | 36 | Very low | 40.9 | Very low | 187 Ų | 187 | 143.6 Ų | 143.6 | 73% | 0.733 | 72% | 0.722 | S | S | * | * | trans | -66.7 | 88.3 | 166 | -76.8 | -83.8 | 0 | 0 | 0 | 108.2 | F26 V30 | F26-Y28 HydrophobicContact CB-CD2 4.01Å; F26-Y28 HydrophobicContact CB-CE2 3.7Å; F26-Y28 HydrophobicContact CD1-CE2 4.37Å; F26-Y28 HydrophobicContact CG-CE2 4.32Å; F26-Y28 PolarHBondContact O-N 2.92Å; Y28-V30 PolarHBondContact O-N 2.76Å | ||
| 29 | F | 35.3 | Very low | 41.6 | Very low | 177 Ų | 177 | 142 Ų | 142 | 78% | 0.776 | 71% | 0.709 | S | S | * | * | trans | -66.4 | 86 | 161.2 | -133.7 | -90.2 | 0 | 0 | 0 | 106.6 | V27 H31 | V27-F29 HydrophobicContact CG1-CD2 4.33Å; V27-F29 PolarHBondContact O-N 2.65Å; F29-H31 PolarHBondContact O-N 3.32Å | ||
| 30 | V | 39.4 | Very low | 43.5 | Very low | 129 Ų | 129 | 136.1 Ų | 136.1 | 78% | 0.782 | 70% | 0.7 | S | S | * | * | trans | -58.1 | 111 | 171.5 | 177.7 | 0 | 0 | 0 | 0 | 105.7 | Y28 S32 | Y28-V30 PolarHBondContact O-N 2.76Å; V30-S32 PolarHBondContact O-N 3.29Å | ||
| 31 | H | 34.4 | Very low | 45.4 | Very low | 161 Ų | 161 | 135 Ų | 135 | 75% | 0.745 | 69% | 0.687 | S | S | * | * | trans | -54.5 | 114.6 | 179.4 | -110.3 | 51.2 | 0 | 0 | 0 | 108.1 | F29 E33 | F29-H31 PolarHBondContact O-N 3.32Å; H31-E33 PolarHBondContact O-N 2.92Å | ||
| 32 | S | 33.9 | Very low | 47.6 | Very low | 106 Ų | 106 | 126 Ų | 126 | 74% | 0.741 | 66% | 0.657 | S | S | * | * | trans | -66.5 | 86.8 | 161.3 | 174.3 | 0 | 0 | 0 | 0 | 106.1 | V30 M34 | V30-S32 PolarHBondContact O-N 3.29Å; S32-M34 PolarHBondContact O-N 2.83Å | ||
| 33 | E | 34.7 | Very low | 49.9 | Very low | 165 Ų | 165 | 121.2 Ų | 121.2 | 77% | 0.771 | 63% | 0.631 | S | S | * | * | trans | -59.6 | 96.1 | 163.2 | -83.3 | -161.5 | 138.7 | 0 | 0 | 107.2 | H31 L35 | H31-E33 PolarHBondContact O-N 2.92Å; E33-L35 PolarHBondContact O-N 2.78Å | ||
| 34 | M | 31 | Very low | 52.6 | Low | 158 Ų | 158 | 116.4 Ų | 116.4 | 78% | 0.778 | 60% | 0.602 | S | S | * | * | trans | -70.8 | 69 | 175.7 | -167.1 | 173.5 | 80.7 | 0 | 0 | 107.6 | S32 E36 | S32-M34 PolarHBondContact O-N 2.83Å; M34-E36 VanDerWaalsContact C-N 3.33Å; M34-E36 PolarHBondContact O-N 2.74Å | ||
| 35 | L | 41.3 | Very low | 55.4 | Low | 140 Ų | 140 | 112.4 Ų | 112.4 | 73% | 0.733 | 57% | 0.572 | S | S | * | * | trans | -58.3 | 105.4 | 160 | -75.2 | 174.6 | 0 | 0 | 0 | 105.8 | E33 A37 | E33-L35 PolarHBondContact O-N 2.78Å; L35-A37 VanDerWaalsContact C-N 3.31Å; L35-A37 PolarHBondContact O-N 2.79Å | ||
| 36 | E | 40.8 | Very low | 58 | Low | 171 Ų | 171 | 106.4 Ų | 106.4 | 80% | 0.799 | 54% | 0.541 | S | S | * | . | trans | -49.2 | 101 | 169.3 | -65.5 | 178.8 | 146.2 | 0 | 0 | 107.7 | M34 D38 | M34-E36 VanDerWaalsContact C-N 3.33Å; M34-E36 PolarHBondContact O-N 2.74Å; E36-D38 PolarHBondContact O-N 3.17Å | ||
| 37 | A | 49.9 | Very low | 60.5 | Low | 45 Ų | 45 | 101 Ų | 101 | 37% | 0.372 | 52% | 0.519 | S | S | . | . | trans | -69.3 | 120.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 105 | L35 D39 | L35-A37 VanDerWaalsContact C-N 3.31Å; L35-A37 PolarHBondContact O-N 2.79Å; A37-D39 PolarHBondContact O-N 2.77Å | ||
| 38 | D | 55.4 | Low | 63 | Low | 79 Ų | 79 | 101.3 Ų | 101.3 | 42% | 0.422 | 51% | 0.509 | S | S | . | . | trans | -59 | 90.7 | 159.5 | -71.4 | -7.1 | 0 | 0 | 0 | 106.3 | E36 T40 R41 | E36-D38 PolarHBondContact O-N 3.17Å; D38-T40 PolarHBondContact O-N 2.86Å; D38-R41 HydrophobicContact CB-CG 3.65Å; D38-R41 PolarHBondContact O-N 2.97Å; D38-R41 IonicContact OD1-NH2 3.74Å; D38-R41 IonicContact OD2-CZ 3.28Å; D38-R41 IonicContact OD2-NE 2.76Å; D38-R41 PolarHBondContact OD2-NE 2.86Å; D38-R41 IonicContact OD2-NH2 2.65Å; D38-R41 PolarHBondContact OD2-NH2 2.83Å | ||
| 39 | D | 61.2 | Low | 65.8 | Low | 98 Ų | 98 | 92.4 Ų | 92.4 | 52% | 0.524 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | 13.3 | 179.6 | -89.5 | -13.2 | 0 | 0 | 0 | 112.5 | A37 P93 Q97 | A37-D39 PolarHBondContact O-N 2.77Å; D39-P93 WeakPolarHBondContact O-CB 3.34Å; D39-P93 VanDerWaalsContact O-CG 3.27Å; D39-P93 WeakPolarHBondContact O-CG 3.32Å; D39-Q97 PolarHBondContact OD1-NE2 3.11Å |
| 40 | T | 81 | Confident | 68.5 | Low | 116 Ų | 116 | 84.2 Ų | 84.2 | 71% | 0.712 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108 | -7.9 | 172.2 | 59.1 | 0 | 0 | 0 | 0 | 112.8 | D38 T42 | D38-T40 PolarHBondContact O-N 2.86Å; T40-T42 PolarHBondContact O-N 2.95Å |
| 41 | R | 86.2 | Confident | 70.9 | Confident | 101 Ų | 101 | 83.8 Ų | 83.8 | 38% | 0.381 | 43% | 0.428 | S | S | . | . | trans | -76.5 | 114.3 | -179.8 | -72.1 | 178.5 | -166.1 | 156.2 | 10.4 | 111.4 | D38 Y117 | D38-R41 HydrophobicContact CB-CG 3.65Å; D38-R41 PolarHBondContact O-N 2.97Å; D38-R41 IonicContact OD1-NH2 3.74Å; D38-R41 IonicContact OD2-CZ 3.28Å; D38-R41 IonicContact OD2-NE 2.76Å; D38-R41 PolarHBondContact OD2-NE 2.86Å; D38-R41 IonicContact OD2-NH2 2.65Å; D38-R41 PolarHBondContact OD2-NH2 2.83Å; R41-Y117 HydrophobicContact CB-CD1 3.52Å; R41-Y117 HydrophobicContact CB-CE1 3.77Å; R41-Y117 HydrophobicContact CB-CG 4.25Å; R41-Y117 HydrophobicContact CG-CD1 4.49Å; R41-Y117 WeakPolarHBondContact O-CE1 3.45Å | ||
| 42 | T | 93.3 | Very high | 73.6 | Confident | 28 Ų | 28 | 81.1 Ų | 81.1 | 17% | 0.172 | 42% | 0.423 | C | S | . | . | trans | -94.6 | -21.3 | 174.5 | 53.8 | 0 | 0 | 0 | 0 | 114.3 | T40 N89 Y90 P93 | T40-T42 PolarHBondContact O-N 2.95Å; T42-N89 WeakPolarHBondContact CB-OD1 3.44Å; T42-N89 PolarHBondContact OG1-OD1 3.43Å; T42-Y90 WeakPolarHBondContact CB-O 3.24Å; T42-Y90 WeakPolarHBondContact CG2-O 3.27Å; T42-Y90 PolarHBondContact O-N 2.92Å; T42-Y90 VanDerWaalsContact O-N 3.16Å; T42-P93 HydrophobicContact CG2-CB 4.32Å | ||
| 43 | N | 95.3 | Very high | 76.3 | Confident | 81 Ų | 81 | 76.2 Ų | 76.2 | 43% | 0.433 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 124.2 | -172.6 | -78.2 | -82.5 | 0 | 0 | 0 | 111.8 | N89 A118 | N43-N89 PolarHBondContact ND2-OD1 2.72Å; N43-N89 WeakPolarHBondContact OD1-CB 3.09Å; N43-N89 PolarHBondContact OD1-OD1 3.08Å; N43-A118 HydrophobicContact CB-CB 4.07Å; N43-A118 PolarHBondContact O-N 2.91Å |
| 44 | L | 96.2 | Very high | 79.1 | Confident | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 147.4 | 178.3 | -55.8 | -173.2 | 0 | 0 | 0 | 111.9 | F87 V88 Y90 A96 A99 V100 V115 S116 Y117 | L44-F87 VanDerWaalsContact O-CA 3.3Å; L44-F87 WeakPolarHBondContact O-CA 3.42Å; L44-V88 PolarHBondContact N-O 2.82Å; L44-V88 PolarHBondContact O-N 3.21Å; L44-Y90 HydrophobicContact CD1-CD2 4.17Å; L44-Y90 HydrophobicContact CD1-CE2 3.8Å; L44-A96 HydrophobicContact CD1-CB 4.4Å; L44-A96 HydrophobicContact CD2-CB 4.13Å; L44-A96 HydrophobicContact CG-CB 4.25Å; L44-A99 HydrophobicContact CD1-CB 3.79Å; L44-V100 HydrophobicContact CD1-CG2 4.09Å; L44-V100 HydrophobicContact CD2-CG2 3.54Å; L44-V100 HydrophobicContact CG-CG2 4.48Å; L44-V115 HydrophobicContact CD1-CG1 3.87Å; L44-S116 WeakPolarHBondContact CA-O 3.45Å; L44-Y117 HydrophobicContact CD2-CD1 3.52Å; L44-Y117 HydrophobicContact CD2-CE1 3.81Å; L44-Y117 HydrophobicContact CD2-CG 4.22Å |
| 45 | I | 95.2 | Very high | 82.1 | Confident | 31 Ų | 31 | 65.5 Ų | 65.5 | 16% | 0.159 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 133.8 | 164.3 | -172 | 176.1 | 0 | 0 | 0 | 109.3 | Y85 F87 S116 A118 | I45-Y85 HydrophobicContact CD1-CD2 4.4Å; I45-F87 HydrophobicContact CB-CD1 4.02Å; I45-F87 HydrophobicContact CB-CE1 3.9Å; I45-F87 HydrophobicContact CD1-CE1 3.81Å; I45-F87 HydrophobicContact CD1-CZ 4.02Å; I45-F87 HydrophobicContact CG1-CD1 4.13Å; I45-F87 HydrophobicContact CG1-CE1 3.77Å; I45-F87 HydrophobicContact CG1-CZ 4.29Å; I45-S116 WeakPolarHBondContact CG2-OG 3.43Å; I45-S116 PolarHBondContact N-O 3.45Å; I45-S116 PolarHBondContact O-N 3.23Å; I45-S116 VanDerWaalsContact O-N 3.14Å; I45-A118 HydrophobicContact CB-CB 4.25Å |
| 46 | V | 96.2 | Very high | 84.7 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 115.8 | -179.8 | -171.5 | 0 | 0 | 0 | 0 | 108.1 | L49 F58 F62 Y85 G86 V88 I113 K114 V115 | V46-L49 HydrophobicContact CG1-CD1 4.42Å; V46-L49 HydrophobicContact CG1-CD2 3.56Å; V46-L49 HydrophobicContact CG1-CG 4.09Å; V46-F58 HydrophobicContact CB-CE2 3.84Å; V46-F58 HydrophobicContact CB-CZ 4.01Å; V46-F58 HydrophobicContact CG1-CE2 4.04Å; V46-F58 HydrophobicContact CG2-CE2 3.85Å; V46-F58 HydrophobicContact CG2-CZ 3.9Å; V46-F62 HydrophobicContact CB-CZ 4.19Å; V46-F62 HydrophobicContact CG1-CE2 4.13Å; V46-F62 HydrophobicContact CG1-CZ 3.79Å; V46-F62 HydrophobicContact CG2-CE1 3.68Å; V46-F62 HydrophobicContact CG2-CE2 3.94Å; V46-F62 HydrophobicContact CG2-CZ 3.33Å; V46-Y85 CarbonylContact O-C 3.54Å; V46-Y85 WeakPolarHBondContact O-CA 3.32Å; V46-Y85 VanDerWaalsContact O-CB 3.28Å; V46-Y85 WeakPolarHBondContact O-CB 3.48Å; V46-G86 PolarHBondContact N-O 3.04Å; V46-G86 PolarHBondContact O-N 3.39Å; V46-V88 HydrophobicContact CG2-CG2 4.31Å; V46-I113 HydrophobicContact CG1-CB 4.41Å; V46-I113 HydrophobicContact CG1-CD1 4.33Å; V46-K114 WeakPolarHBondContact CA-O 3.29Å; V46-V115 HydrophobicContact CG1-CG2 4.14Å; V46-V115 HydrophobicContact CG2-CG2 4.42Å |
| 47 | N | 94.2 | Very high | 87.3 | Confident | 38 Ų | 38 | 61.8 Ų | 61.8 | 20% | 0.203 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 161.9 | -177.2 | -62.5 | -88.7 | 0 | 0 | 0 | 111.1 | L49 I113 K114 | N47-L49 VanDerWaalsContact C-N 3.31Å; N47-L49 PolarHBondContact O-N 3.23Å; N47-I113 WeakPolarHBondContact O-CA 3.31Å; N47-K114 HydrophobicContact CB-CB 4.39Å; N47-K114 PolarHBondContact N-O 3.29Å; N47-K114 PolarHBondContact O-N 3.31Å |
| 48 | Y | 92.7 | Very high | 89.4 | Confident | 117 Ų | 117 | 59.7 Ų | 59.7 | 46% | 0.459 | 31% | 0.305 | S | S | . | . | S | Bend | trans | 64.5 | 29.4 | 178.9 | -44.8 | -63.2 | 0 | 0 | 0 | 114.5 | G84 K111 T112 K114 | Y48-G84 PolarHBondContact N-O 2.9Å; Y48-G84 VanDerWaalsContact N-O 3.1Å; Y48-K111 WeakPolarHBondContact O-CB 3.49Å; Y48-K111 WeakPolarHBondContact O-CD 3.42Å; Y48-T112 WeakPolarHBondContact CB-O 3.42Å; Y48-K114 HydrophobicContact CD2-CB 3.78Å; Y48-K114 HydrophobicContact CE2-CB 3.83Å |
| 49 | L | 93.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | trans | -62.9 | 145.4 | 170.7 | -60.6 | 177.2 | 0 | 0 | 0 | 110.9 | V46 N47 M53 F58 L73 G84 K111 I113 | V46-L49 HydrophobicContact CG1-CD1 4.42Å; V46-L49 HydrophobicContact CG1-CD2 3.56Å; V46-L49 HydrophobicContact CG1-CG 4.09Å; N47-L49 VanDerWaalsContact C-N 3.31Å; N47-L49 PolarHBondContact O-N 3.23Å; L49-M53 HydrophobicContact CB-SD 4.25Å; L49-M53 HydrophobicContact CD2-CE 4.11Å; L49-M53 HydrophobicContact CD2-SD 3.84Å; L49-M53 HydrophobicContact CG-SD 4.48Å; L49-F58 HydrophobicContact CD1-CD2 3.81Å; L49-F58 HydrophobicContact CD1-CE2 3.7Å; L49-F58 HydrophobicContact CD1-CG 4.37Å; L49-F58 HydrophobicContact CD1-CZ 4.17Å; L49-F58 HydrophobicContact CD2-CD2 4.29Å; L49-F58 HydrophobicContact CD2-CE2 4.27Å; L49-L73 HydrophobicContact CD1-CD1 3.52Å; L49-G84 PolarHBondContact N-O 3.41Å; L49-G84 WeakPolarHBondContact O-CA 3.47Å; L49-K111 PolarHBondContact O-NZ 3.14Å; L49-I113 HydrophobicContact CD2-CG2 3.93Å | ||
| 50 | P | 91.8 | Very high | 93 | Very high | 4 Ų | 4 | 58.8 Ų | 58.8 | 3% | 0.026 | 30% | 0.298 | C | S | . | . | trans | -55.4 | 145.2 | 165.3 | -26.3 | 35.4 | 0 | 0 | 0 | 112.3 | T52 M53 L108 Q109 | P50-T52 VanDerWaalsContact C-N 3.29Å; P50-M53 HydrophobicContact CB-CB 4.24Å; P50-M53 VanDerWaalsContact O-CB 3.31Å; P50-M53 WeakPolarHBondContact O-CB 3.42Å; P50-M53 PolarHBondContact O-N 3.24Å; P50-L108 HydrophobicContact CG-CB 3.96Å; P50-Q109 HydrophobicContact CG-CB 4.42Å; P50-Q109 HydrophobicContact CG-CG 4.23Å | ||
| 51 | Q | 90.2 | Very high | 93.6 | Very high | 121 Ų | 121 | 54.5 Ų | 54.5 | 57% | 0.565 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -24 | 177.5 | -74.3 | -176 | -21.8 | 0 | 0 | 112.6 | M53 S82 | Q51-M53 PolarHBondContact O-N 2.99Å; Q51-S82 WeakPolarHBondContact O-CB 3.46Å |
| 52 | T | 91.5 | Very high | 94.1 | Very high | 104 Ų | 104 | 49.7 Ų | 49.7 | 64% | 0.638 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -16.9 | 174.4 | 59.2 | 0 | 0 | 0 | 0 | 113.2 | P50 Q109 | P50-T52 VanDerWaalsContact C-N 3.29Å; T52-Q109 PolarHBondContact OG1-NE2 2.76Å |
| 53 | M | 91.3 | Very high | 94.2 | Very high | 4 Ų | 4 | 50.7 Ų | 50.7 | 2% | 0.02 | 26% | 0.264 | C | S | . | . | trans | -68.9 | 132.8 | -168.8 | -169 | 165.4 | 169 | 0 | 0 | 112.1 | L49 P50 Q51 E57 F58 L61 L73 R75 L108 | L49-M53 HydrophobicContact CB-SD 4.25Å; L49-M53 HydrophobicContact CD2-CE 4.11Å; L49-M53 HydrophobicContact CD2-SD 3.84Å; L49-M53 HydrophobicContact CG-SD 4.48Å; P50-M53 HydrophobicContact CB-CB 4.24Å; P50-M53 VanDerWaalsContact O-CB 3.31Å; P50-M53 WeakPolarHBondContact O-CB 3.42Å; P50-M53 PolarHBondContact O-N 3.24Å; Q51-M53 PolarHBondContact O-N 2.99Å; M53-E57 VanDerWaalsContact CA-OE2 3.3Å; M53-E57 WeakPolarHBondContact CA-OE2 3.4Å; M53-E57 HydrophobicContact CG-CB 4.45Å; M53-E57 HydrophobicContact CG-CG 4.19Å; M53-E57 WeakPolarHBondContact CG-OE2 3.37Å; M53-F58 HydrophobicContact CE-CB 3.84Å; M53-F58 HydrophobicContact CE-CD2 3.84Å; M53-F58 HydrophobicContact CE-CG 4.32Å; M53-L61 HydrophobicContact CE-CD2 4Å; M53-L73 VanDerWaalsContact O-CD2 3.24Å; M53-L73 WeakPolarHBondContact O-CD2 3.22Å; M53-R75 PolarHBondContact O-NH2 2.79Å; M53-L108 HydrophobicContact CE-CD1 4.19Å; M53-L108 HydrophobicContact SD-CD1 4.04Å | ||
| 54 | G | 93.4 | Very high | 94.1 | Very high | 24 Ų | 24 | 56.8 Ų | 56.8 | 25% | 0.247 | 28% | 0.281 | C | S | . | . | trans | -77.4 | 159.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | E56 E57 F58 | G54-E56 VanDerWaalsContact C-N 3.32Å; G54-E57 PolarHBondContact N-OE2 3.47Å; G54-F58 VanDerWaalsContact O-CB 3.25Å; G54-F58 WeakPolarHBondContact O-CB 3.39Å; G54-F58 PolarHBondContact O-N 2.96Å | ||
| 55 | Q | 94 | Very high | 94 | Very high | 73 Ų | 73 | 58.2 Ų | 58.2 | 34% | 0.341 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.1 | -42.6 | 167.1 | 168.8 | 66.7 | 31.6 | 0 | 0 | 110.6 | F58 R59 C71 L73 | Q55-F58 PolarHBondContact O-N 3.07Å; Q55-R59 PolarHBondContact O-N 2.98Å; Q55-C71 PolarHBondContact NE2-O 2.72Å; Q55-L73 VanDerWaalsContact OE1-CB 3.26Å |
| 56 | E | 94.9 | Very high | 93.9 | Very high | 125 Ų | 125 | 57.5 Ų | 57.5 | 58% | 0.584 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -70.2 | -42.5 | -179.5 | -165.6 | 56 | -143.2 | 0 | 0 | 111.8 | G54 F58 R59 A60 | G54-E56 VanDerWaalsContact C-N 3.32Å; E56-F58 VanDerWaalsContact C-N 3.33Å; E56-F58 PolarHBondContact O-N 3.29Å; E56-R59 PolarHBondContact O-N 2.92Å; E56-A60 VanDerWaalsContact O-CB 3.26Å; E56-A60 WeakPolarHBondContact O-CB 3.44Å; E56-A60 PolarHBondContact O-N 3.02Å |
| 57 | E | 94.6 | Very high | 93.9 | Very high | 109 Ų | 109 | 63.8 Ų | 63.8 | 51% | 0.509 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.2 | -42.6 | 173.2 | -175.5 | -176.1 | -168.3 | 0 | 0 | 111.9 | M53 G54 A60 L61 | M53-E57 VanDerWaalsContact CA-OE2 3.3Å; M53-E57 WeakPolarHBondContact CA-OE2 3.4Å; M53-E57 HydrophobicContact CG-CB 4.45Å; M53-E57 HydrophobicContact CG-CG 4.19Å; M53-E57 WeakPolarHBondContact CG-OE2 3.37Å; G54-E57 PolarHBondContact N-OE2 3.47Å; E57-A60 PolarHBondContact O-N 3.42Å; E57-L61 WeakPolarHBondContact O-CB 3.4Å; E57-L61 PolarHBondContact O-N 3.33Å |
| 58 | F | 95.4 | Very high | 94 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.3 | -44.6 | 174.4 | -179.8 | -128 | 0 | 0 | 0 | 112.5 | V46 L49 M53 G54 Q55 E56 F62 C71 L73 V88 | V46-F58 HydrophobicContact CB-CE2 3.84Å; V46-F58 HydrophobicContact CB-CZ 4.01Å; V46-F58 HydrophobicContact CG1-CE2 4.04Å; V46-F58 HydrophobicContact CG2-CE2 3.85Å; V46-F58 HydrophobicContact CG2-CZ 3.9Å; L49-F58 HydrophobicContact CD1-CD2 3.81Å; L49-F58 HydrophobicContact CD1-CE2 3.7Å; L49-F58 HydrophobicContact CD1-CG 4.37Å; L49-F58 HydrophobicContact CD1-CZ 4.17Å; L49-F58 HydrophobicContact CD2-CD2 4.29Å; L49-F58 HydrophobicContact CD2-CE2 4.27Å; M53-F58 HydrophobicContact CE-CB 3.84Å; M53-F58 HydrophobicContact CE-CD2 3.84Å; M53-F58 HydrophobicContact CE-CG 4.32Å; G54-F58 VanDerWaalsContact O-CB 3.25Å; G54-F58 WeakPolarHBondContact O-CB 3.39Å; G54-F58 PolarHBondContact O-N 2.96Å; Q55-F58 PolarHBondContact O-N 3.07Å; E56-F58 VanDerWaalsContact C-N 3.33Å; E56-F58 PolarHBondContact O-N 3.29Å; F58-F62 AromaticContact CD2-CD2 3.98Å; F58-F62 HydrophobicContact CD2-CD2 3.98Å; F58-F62 AromaticContact CD2-CE2 3.95Å; F58-F62 HydrophobicContact CD2-CE2 3.95Å; F58-F62 AromaticContact CE2-CD2 3.8Å; F58-F62 HydrophobicContact CE2-CD2 3.8Å; F58-F62 AromaticContact CE2-CE2 3.56Å; F58-F62 HydrophobicContact CE2-CE2 3.56Å; F58-F62 HydrophobicContact CE2-CZ 4.36Å; F58-F62 WeakPolarHBondContact O-CD2 3.36Å; F58-F62 PolarHBondContact O-N 2.76Å; F58-C71 WeakPolarHBondContact CD1-SG 3.34Å; F58-C71 WeakPolarHBondContact CE1-SG 3.38Å; F58-L73 HydrophobicContact CD1-CB 3.94Å; F58-L73 HydrophobicContact CD1-CD1 4.49Å; F58-V88 HydrophobicContact CE1-CG2 4Å; F58-V88 HydrophobicContact CE2-CG2 4.19Å; F58-V88 HydrophobicContact CZ-CG2 3.56Å |
| 59 | R | 96.5 | Very high | 94.2 | Very high | 110 Ų | 110 | 64 Ų | 64 | 42% | 0.415 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.5 | -46.7 | 175.2 | -172.7 | 174.1 | -178 | -95.9 | -4.9 | 111.6 | Q55 E56 L61 F62 A63 I68 C71 | Q55-R59 PolarHBondContact O-N 2.98Å; E56-R59 PolarHBondContact O-N 2.92Å; R59-L61 VanDerWaalsContact C-N 3.32Å; R59-L61 PolarHBondContact O-N 3.46Å; R59-F62 PolarHBondContact O-N 3.3Å; R59-A63 VanDerWaalsContact O-CB 3.23Å; R59-A63 WeakPolarHBondContact O-CB 3.17Å; R59-A63 PolarHBondContact O-N 2.69Å; R59-I68 HydrophobicContact CG-CD1 4.29Å; R59-C71 HydrophobicContact CB-CB 4.43Å; R59-C71 HydrophobicContact CG-CB 4.25Å |
| 60 | A | 95.6 | Very high | 94.2 | Very high | 48 Ų | 48 | 67.1 Ų | 67.1 | 40% | 0.397 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.9 | -35.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113 | E56 E57 R64 | E56-A60 VanDerWaalsContact O-CB 3.26Å; E56-A60 WeakPolarHBondContact O-CB 3.44Å; E56-A60 PolarHBondContact O-N 3.02Å; E57-A60 PolarHBondContact O-N 3.42Å; A60-R64 WeakPolarHBondContact O-CG 3.37Å |
| 61 | L | 94.3 | Very high | 94.4 | Very high | 27 Ų | 27 | 67.8 Ų | 67.8 | 14% | 0.141 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.7 | -46.4 | 175.5 | 179.3 | 62.2 | 0 | 0 | 0 | 111.9 | M53 E57 R59 L103 L106 L108 I113 | M53-L61 HydrophobicContact CE-CD2 4Å; E57-L61 WeakPolarHBondContact O-CB 3.4Å; E57-L61 PolarHBondContact O-N 3.33Å; R59-L61 VanDerWaalsContact C-N 3.32Å; R59-L61 PolarHBondContact O-N 3.46Å; L61-L103 HydrophobicContact CD1-CD2 4.47Å; L61-L106 HydrophobicContact CD1-CD2 4.07Å; L61-L106 HydrophobicContact CD2-CD2 4.25Å; L61-L108 HydrophobicContact CD2-CD1 3.9Å; L61-I113 HydrophobicContact CD2-CD1 4.46Å |
| 62 | F | 95.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -81.3 | -28.5 | -177 | -79.2 | -97.9 | 0 | 0 | 0 | 112.9 | V46 F58 R59 R64 I65 I68 V88 Y90 A99 L103 I113 V115 | V46-F62 HydrophobicContact CB-CZ 4.19Å; V46-F62 HydrophobicContact CG1-CE2 4.13Å; V46-F62 HydrophobicContact CG1-CZ 3.79Å; V46-F62 HydrophobicContact CG2-CE1 3.68Å; V46-F62 HydrophobicContact CG2-CE2 3.94Å; V46-F62 HydrophobicContact CG2-CZ 3.33Å; F58-F62 AromaticContact CD2-CD2 3.98Å; F58-F62 HydrophobicContact CD2-CD2 3.98Å; F58-F62 AromaticContact CD2-CE2 3.95Å; F58-F62 HydrophobicContact CD2-CE2 3.95Å; F58-F62 AromaticContact CE2-CD2 3.8Å; F58-F62 HydrophobicContact CE2-CD2 3.8Å; F58-F62 AromaticContact CE2-CE2 3.56Å; F58-F62 HydrophobicContact CE2-CE2 3.56Å; F58-F62 HydrophobicContact CE2-CZ 4.36Å; F58-F62 WeakPolarHBondContact O-CD2 3.36Å; F58-F62 PolarHBondContact O-N 2.76Å; R59-F62 PolarHBondContact O-N 3.3Å; F62-R64 PolarHBondContact O-N 2.86Å; F62-I65 PolarHBondContact O-N 2.92Å; F62-I65 VanDerWaalsContact O-N 3.1Å; F62-I68 HydrophobicContact CB-CD1 3.73Å; F62-V88 HydrophobicContact CB-CG1 4.12Å; F62-V88 HydrophobicContact CB-CG2 4.19Å; F62-V88 HydrophobicContact CD1-CB 4.34Å; F62-V88 HydrophobicContact CD1-CG1 4.29Å; F62-V88 HydrophobicContact CD1-CG2 3.93Å; F62-V88 HydrophobicContact CD2-CG2 4.25Å; F62-V88 HydrophobicContact CE1-CG2 4.47Å; F62-V88 HydrophobicContact CG-CG1 4.41Å; F62-V88 HydrophobicContact CG-CG2 3.83Å; F62-Y90 WeakPolarHBondContact CB-OH 3.28Å; F62-Y90 HydrophobicContact CD1-CE2 4.4Å; F62-Y90 WeakPolarHBondContact CD1-OH 3.4Å; F62-Y90 PolarHBondContact O-OH 2.87Å; F62-A99 HydrophobicContact CD1-CB 4.5Å; F62-L103 HydrophobicContact CD1-CD1 3.67Å; F62-L103 HydrophobicContact CD2-CD1 4.36Å; F62-L103 HydrophobicContact CE1-CB 4.48Å; F62-L103 HydrophobicContact CE1-CD1 3.56Å; F62-L103 HydrophobicContact CE2-CD1 4.27Å; F62-L103 HydrophobicContact CG-CD1 4.06Å; F62-L103 HydrophobicContact CZ-CB 4.46Å; F62-L103 HydrophobicContact CZ-CD1 3.86Å; F62-I113 HydrophobicContact CZ-CD1 4.49Å; F62-V115 HydrophobicContact CE1-CG1 4.08Å; F62-V115 HydrophobicContact CE1-CG2 4.14Å; F62-V115 HydrophobicContact CZ-CG2 3.84Å |
| 63 | A | 95.7 | Very high | 94.9 | Very high | 49 Ų | 49 | 63.9 Ų | 63.9 | 41% | 0.405 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.7 | -15.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | R59 I65 I68 | R59-A63 VanDerWaalsContact O-CB 3.23Å; R59-A63 WeakPolarHBondContact O-CB 3.17Å; R59-A63 PolarHBondContact O-N 2.69Å; A63-I65 PolarHBondContact O-N 2.79Å; A63-I68 HydrophobicContact CB-CD1 4.04Å |
| 64 | R | 94.4 | Very high | 95 | Very high | 209 Ų | 209 | 64.9 Ų | 64.9 | 79% | 0.789 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -17.6 | 172.2 | -72.6 | 171.6 | 175.1 | -175.1 | -2.3 | 113.9 | A60 F62 | A60-R64 WeakPolarHBondContact O-CG 3.37Å; F62-R64 PolarHBondContact O-N 2.86Å |
| 65 | I | 93.9 | Very high | 95 | Very high | 29 Ų | 29 | 68.5 Ų | 68.5 | 15% | 0.149 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -31.5 | -177.3 | -55 | -62.3 | 0 | 0 | 0 | 112.3 | F62 A63 D95 R98 A99 T102 L103 | F62-I65 PolarHBondContact O-N 2.92Å; F62-I65 VanDerWaalsContact O-N 3.1Å; A63-I65 PolarHBondContact O-N 2.79Å; I65-D95 WeakPolarHBondContact CG2-O 3.3Å; I65-R98 HydrophobicContact CG2-CB 3.66Å; I65-R98 PolarHBondContact O-NH2 3.22Å; I65-A99 HydrophobicContact CB-CB 4.34Å; I65-A99 HydrophobicContact CG1-CB 4.31Å; I65-A99 HydrophobicContact CG2-CB 3.95Å; I65-T102 HydrophobicContact CD1-CG2 4.07Å; I65-L103 HydrophobicContact CD1-CD1 4.34Å; I65-L103 HydrophobicContact CD1-CD2 4.4Å; I65-L103 HydrophobicContact CD1-CG 4.24Å; I65-L103 HydrophobicContact CG1-CD1 3.74Å; I65-L103 HydrophobicContact CG1-CG 4.15Å |
| 66 | G | 93.5 | Very high | 94.9 | Very high | 17 Ų | 17 | 66.9 Ų | 66.9 | 18% | 0.175 | 33% | 0.328 | C | S | . | . | S | Bend | trans | 173 | -177 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113 | D95 | G66-D95 WeakPolarHBondContact CA-OD2 3.43Š|
| 67 | E | 95.9 | Very high | 94.6 | Very high | 131 Ų | 131 | 71 Ų | 71 | 61% | 0.612 | 34% | 0.343 | S | S | * | . | trans | -80.7 | 125.3 | -172.3 | -175.5 | 169.3 | -168.8 | 0 | 0 | 111.9 | Y90 A91 D95 | E67-Y90 CarbonylContact O-C 3.58Å; E67-Y90 VanDerWaalsContact O-CA 3.31Å; E67-Y90 WeakPolarHBondContact O-CA 3.14Å; E67-Y90 VanDerWaalsContact O-CD1 3.3Å; E67-Y90 WeakPolarHBondContact O-CD1 3.02Å; E67-A91 HydrophobicContact CB-CB 4.15Å; E67-A91 HydrophobicContact CG-CB 4.18Å; E67-A91 PolarHBondContact O-N 2.95Å; E67-D95 PolarHBondContact N-OD2 3.27Å | ||
| 68 | I | 96.3 | Very high | 94.4 | Very high | 20 Ų | 20 | 71.7 Ų | 71.7 | 10% | 0.103 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 114.2 | -177.5 | -65.3 | -179.9 | 0 | 0 | 0 | 110.1 | R59 F62 A63 S70 C71 V88 Y90 | R59-I68 HydrophobicContact CG-CD1 4.29Å; F62-I68 HydrophobicContact CB-CD1 3.73Å; A63-I68 HydrophobicContact CB-CD1 4.04Å; I68-S70 VanDerWaalsContact CG2-C 3.43Å; I68-S70 WeakPolarHBondContact CG2-O 3.2Å; I68-C71 HydrophobicContact CG2-CB 3.72Å; I68-V88 HydrophobicContact CD1-CG1 3.99Å; I68-V88 HydrophobicContact CG1-CG1 4.04Å; I68-V88 HydrophobicContact CG2-CG1 4.32Å; I68-Y90 HydrophobicContact CG1-CD1 4.25Å; I68-Y90 HydrophobicContact CG1-CE1 3.95Å |
| 69 | E | 95.8 | Very high | 94.1 | Very high | 139 Ų | 139 | 74.9 Ų | 74.9 | 65% | 0.65 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.7 | -42.6 | 168.9 | -166.7 | -160 | 142.9 | 0 | 0 | 110.9 | N89 | E69-N89 VanDerWaalsContact CD-ND2 3.25Å; E69-N89 PolarHBondContact N-O 3.29Å; E69-N89 PolarHBondContact OE2-ND2 2.94Å |
| 70 | S | 95.1 | Very high | 93.8 | Very high | 66 Ų | 66 | 71.4 Ų | 71.4 | 46% | 0.462 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 139.6 | 178.2 | -160.6 | 0 | 0 | 0 | 0 | 112.6 | I68 V88 N89 | I68-S70 VanDerWaalsContact CG2-C 3.43Å; I68-S70 WeakPolarHBondContact CG2-O 3.2Å; S70-V88 CarbonylContact O-C 3.54Å; S70-V88 WeakPolarHBondContact O-CA 3.18Å; S70-N89 PolarHBondContact N-O 3.45Å; S70-N89 VanDerWaalsContact N-O 3.16Å; S70-N89 PolarHBondContact O-N 3.28Å |
| 71 | C | 95.6 | Very high | 93.5 | Very high | 18 Ų | 18 | 74.3 Ų | 74.3 | 12% | 0.122 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 129.4 | 173.8 | 171.2 | 0 | 0 | 0 | 0 | 110.2 | Q55 F58 R59 I68 F87 | Q55-C71 PolarHBondContact NE2-O 2.72Å; F58-C71 WeakPolarHBondContact CD1-SG 3.34Å; F58-C71 WeakPolarHBondContact CE1-SG 3.38Å; R59-C71 HydrophobicContact CB-CB 4.43Å; R59-C71 HydrophobicContact CG-CB 4.25Å; I68-C71 HydrophobicContact CG2-CB 3.72Å; C71-F87 WeakPolarHBondContact CA-O 3.38Å |
| 72 | K | 95.9 | Very high | 93.3 | Very high | 136 Ų | 136 | 73.1 Ų | 73.1 | 59% | 0.591 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 106.3 | -175.8 | -174.4 | 173.3 | -175.2 | 170.6 | 0 | 111.6 | G86 F87 | K72-G86 CarbonylContact O-C 3.59Å; K72-G86 WeakPolarHBondContact O-CA 3.28Å; K72-F87 PolarHBondContact N-O 3.25Å; K72-F87 PolarHBondContact O-N 3.35Å |
| 73 | L | 96.2 | Very high | 93.1 | Very high | 8 Ų | 8 | 76.1 Ų | 76.1 | 4% | 0.042 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 124 | 164.3 | -178 | 65.3 | 0 | 0 | 0 | 109 | L49 M53 Q55 F58 | L49-L73 HydrophobicContact CD1-CD1 3.52Å; M53-L73 VanDerWaalsContact O-CD2 3.24Å; M53-L73 WeakPolarHBondContact O-CD2 3.22Å; Q55-L73 VanDerWaalsContact OE1-CB 3.26Å; F58-L73 HydrophobicContact CD1-CB 3.94Å; F58-L73 HydrophobicContact CD1-CD1 4.49Å |
| 74 | V | 94.1 | Very high | 93 | Very high | 24 Ų | 24 | 74.1 Ų | 74.1 | 15% | 0.145 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 127.1 | -178 | -168.8 | 0 | 0 | 0 | 0 | 110.2 | L83 Y85 F87 | V74-L83 HydrophobicContact CG1-CD1 3.84Å; V74-L83 HydrophobicContact CG1-CG 4.48Å; V74-L83 PolarHBondContact O-N 3.14Å; V74-Y85 HydrophobicContact CB-CD2 4.24Å; V74-Y85 HydrophobicContact CB-CE1 4.24Å; V74-Y85 HydrophobicContact CB-CE2 3.85Å; V74-Y85 HydrophobicContact CG1-CE1 4.38Å; V74-Y85 HydrophobicContact CG1-CE2 4.24Å; V74-Y85 HydrophobicContact CG2-CD2 3.9Å; V74-Y85 HydrophobicContact CG2-CE2 3.52Å; V74-Y85 PolarHBondContact N-O 3.24Å; V74-F87 HydrophobicContact CG2-CD2 3.91Å; V74-F87 HydrophobicContact CG2-CE2 3.85Å |
| 75 | R | 93.2 | Very high | 93 | Very high | 101 Ų | 101 | 67.7 Ų | 67.7 | 38% | 0.381 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 150.7 | 178.1 | -69.7 | 171.9 | 176.4 | -83.5 | -8.3 | 110.2 | M53 G80 Q81 | M53-R75 PolarHBondContact O-NH2 2.79Å; R75-G80 WeakPolarHBondContact CD-O 3.43Å; R75-G80 PolarHBondContact NH1-O 3.14Å; R75-Q81 CarbonylContact C-O 3.6Å; R75-Q81 WeakPolarHBondContact CA-O 3.33Å; R75-Q81 WeakPolarHBondContact CB-O 3.47Å |
| 76 | D | 90 | Very high | 93.1 | Very high | 39 Ų | 39 | 66.3 Ų | 66.3 | 21% | 0.209 | 34% | 0.344 | C | S | . | . | trans | -61.2 | 133.8 | 168.5 | 173.9 | 35.1 | 0 | 0 | 0 | 109.7 | T78 S79 G80 Q81 L83 | D76-T78 PolarHBondContact O-N 3.16Å; D76-T78 PolarHBondContact OD1-N 2.84Å; D76-S79 WeakPolarHBondContact CB-OG 3.39Å; D76-S79 VanDerWaalsContact OD2-CB 3.3Å; D76-S79 WeakPolarHBondContact OD2-CB 3.49Å; D76-S79 PolarHBondContact OD2-N 2.69Å; D76-S79 PolarHBondContact OD2-OG 2.79Å; D76-G80 WeakPolarHBondContact O-CA 3.41Å; D76-G80 PolarHBondContact O-N 2.81Å; D76-Q81 PolarHBondContact N-O 2.81Å; D76-L83 HydrophobicContact CB-CD2 3.94Å | ||
| 77 | K | 89.8 | Confident | 93.3 | Very high | 210 Ų | 210 | 68.8 Ų | 68.8 | 91% | 0.913 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -28.5 | -178.4 | -65.9 | -174.5 | 178.9 | -175.9 | 0 | 112.3 | ||
| 78 | T | 89.9 | Confident | 93.3 | Very high | 124 Ų | 124 | 62.5 Ų | 62.5 | 76% | 0.761 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -46.2 | -173.3 | -44.8 | 0 | 0 | 0 | 0 | 112.1 | D76 | D76-T78 PolarHBondContact O-N 3.16Å; D76-T78 PolarHBondContact OD1-N 2.84Å |
| 79 | S | 90.1 | Very high | 93.3 | Very high | 67 Ų | 67 | 62.3 Ų | 62.3 | 47% | 0.469 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | -10.4 | -176.3 | 63.9 | 0 | 0 | 0 | 0 | 115.1 | D76 Q81 | D76-S79 WeakPolarHBondContact CB-OG 3.39Å; D76-S79 VanDerWaalsContact OD2-CB 3.3Å; D76-S79 WeakPolarHBondContact OD2-CB 3.49Å; D76-S79 PolarHBondContact OD2-N 2.69Å; D76-S79 PolarHBondContact OD2-OG 2.79Å; S79-Q81 PolarHBondContact O-N 3.22Å; S79-Q81 VanDerWaalsContact O-N 3.08Å |
| 80 | G | 89.1 | Confident | 93.4 | Very high | 37 Ų | 37 | 55.7 Ų | 55.7 | 38% | 0.381 | 29% | 0.289 | S | S | . | . | trans | 68.1 | -0.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | R75 D76 | R75-G80 WeakPolarHBondContact CD-O 3.43Å; R75-G80 PolarHBondContact NH1-O 3.14Å; D76-G80 WeakPolarHBondContact O-CA 3.41Å; D76-G80 PolarHBondContact O-N 2.81Å | ||
| 81 | Q | 89 | Confident | 93.4 | Very high | 110 Ų | 110 | 54.7 Ų | 54.7 | 51% | 0.514 | 29% | 0.285 | S | S | . | . | trans | -71.2 | 144.5 | -177.9 | -66.1 | -62 | -19.7 | 0 | 0 | 111.7 | R75 D76 S79 L83 | R75-Q81 CarbonylContact C-O 3.6Å; R75-Q81 WeakPolarHBondContact CA-O 3.33Å; R75-Q81 WeakPolarHBondContact CB-O 3.47Å; D76-Q81 PolarHBondContact N-O 2.81Å; S79-Q81 PolarHBondContact O-N 3.22Å; S79-Q81 VanDerWaalsContact O-N 3.08Å; Q81-L83 PolarHBondContact O-N 3.4Å | ||
| 82 | S | 91.7 | Very high | 93.3 | Very high | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.014 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 129.8 | 176.2 | 177.8 | 0 | 0 | 0 | 0 | 110.7 | Q51 G84 | Q51-S82 WeakPolarHBondContact O-CB 3.46Å; S82-G84 PolarHBondContact O-N 3.31Å; S82-G84 PolarHBondContact OG-N 3.42Å |
| 83 | L | 90.9 | Very high | 93.3 | Very high | 62 Ų | 62 | 53.9 Ų | 53.9 | 33% | 0.325 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | -0.7 | 172.2 | -62 | -173.6 | 0 | 0 | 0 | 112.5 | V74 D76 Q81 Y85 T210 | V74-L83 HydrophobicContact CG1-CD1 3.84Å; V74-L83 HydrophobicContact CG1-CG 4.48Å; V74-L83 PolarHBondContact O-N 3.14Å; D76-L83 HydrophobicContact CB-CD2 3.94Å; Q81-L83 PolarHBondContact O-N 3.4Å; L83-Y85 VanDerWaalsContact C-N 3.33Å; L83-Y85 HydrophobicContact CB-CD1 3.71Å; L83-Y85 HydrophobicContact CB-CE1 3.51Å; L83-Y85 HydrophobicContact CD1-CE1 3.75Å; L83-Y85 HydrophobicContact CG-CE1 4.29Å; L83-T210 HydrophobicContact CD2-CG2 4.5Å |
| 84 | G | 92.5 | Very high | 93.2 | Very high | 7 Ų | 7 | 59.7 Ų | 59.7 | 7% | 0.072 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 74.9 | 20.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114 | Y48 L49 S82 | Y48-G84 PolarHBondContact N-O 2.9Å; Y48-G84 VanDerWaalsContact N-O 3.1Å; L49-G84 PolarHBondContact N-O 3.41Å; L49-G84 WeakPolarHBondContact O-CA 3.47Å; S82-G84 PolarHBondContact O-N 3.31Å; S82-G84 PolarHBondContact OG-N 3.42Å |
| 85 | Y | 94.7 | Very high | 93.2 | Very high | 75 Ų | 75 | 59.1 Ų | 59.1 | 29% | 0.294 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 157.9 | 170.3 | 73.6 | -84 | 0 | 0 | 0 | 111.7 | I45 V46 V74 L83 F87 | I45-Y85 HydrophobicContact CD1-CD2 4.4Å; V46-Y85 CarbonylContact O-C 3.54Å; V46-Y85 WeakPolarHBondContact O-CA 3.32Å; V46-Y85 VanDerWaalsContact O-CB 3.28Å; V46-Y85 WeakPolarHBondContact O-CB 3.48Å; V74-Y85 HydrophobicContact CB-CD2 4.24Å; V74-Y85 HydrophobicContact CB-CE1 4.24Å; V74-Y85 HydrophobicContact CB-CE2 3.85Å; V74-Y85 HydrophobicContact CG1-CE1 4.38Å; V74-Y85 HydrophobicContact CG1-CE2 4.24Å; V74-Y85 HydrophobicContact CG2-CD2 3.9Å; V74-Y85 HydrophobicContact CG2-CE2 3.52Å; V74-Y85 PolarHBondContact N-O 3.24Å; L83-Y85 VanDerWaalsContact C-N 3.33Å; L83-Y85 HydrophobicContact CB-CD1 3.71Å; L83-Y85 HydrophobicContact CB-CE1 3.51Å; L83-Y85 HydrophobicContact CD1-CE1 3.75Å; L83-Y85 HydrophobicContact CG-CE1 4.29Å; Y85-F87 HydrophobicContact CD2-CE2 4.21Å; Y85-F87 HydrophobicContact CD2-CZ 4.48Å; Y85-F87 AromaticContact CE2-CE2 3.83Å; Y85-F87 HydrophobicContact CE2-CE2 3.83Å; Y85-F87 HydrophobicContact CE2-CZ 4.17Å |
| 86 | G | 96.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 170.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | V46 K72 | V46-G86 PolarHBondContact N-O 3.04Å; V46-G86 PolarHBondContact O-N 3.39Å; K72-G86 CarbonylContact O-C 3.59Å; K72-G86 WeakPolarHBondContact O-CA 3.28Å |
| 87 | F | 97 | Very high | 93.5 | Very high | 68 Ų | 68 | 56.6 Ų | 56.6 | 30% | 0.298 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 143.5 | 175.2 | -62.6 | -84.3 | 0 | 0 | 0 | 110.2 | L44 I45 C71 K72 V74 Y85 A118 | L44-F87 VanDerWaalsContact O-CA 3.3Å; L44-F87 WeakPolarHBondContact O-CA 3.42Å; I45-F87 HydrophobicContact CB-CD1 4.02Å; I45-F87 HydrophobicContact CB-CE1 3.9Å; I45-F87 HydrophobicContact CD1-CE1 3.81Å; I45-F87 HydrophobicContact CD1-CZ 4.02Å; I45-F87 HydrophobicContact CG1-CD1 4.13Å; I45-F87 HydrophobicContact CG1-CE1 3.77Å; I45-F87 HydrophobicContact CG1-CZ 4.29Å; C71-F87 WeakPolarHBondContact CA-O 3.38Å; K72-F87 PolarHBondContact N-O 3.25Å; K72-F87 PolarHBondContact O-N 3.35Å; V74-F87 HydrophobicContact CG2-CD2 3.91Å; V74-F87 HydrophobicContact CG2-CE2 3.85Å; Y85-F87 HydrophobicContact CD2-CE2 4.21Å; Y85-F87 HydrophobicContact CD2-CZ 4.48Å; Y85-F87 AromaticContact CE2-CE2 3.83Å; Y85-F87 HydrophobicContact CE2-CE2 3.83Å; Y85-F87 HydrophobicContact CE2-CZ 4.17Å; F87-A118 HydrophobicContact CD1-CB 4.18Å; F87-A118 HydrophobicContact CE1-CB 4.35Å |
| 88 | V | 97.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 125 | 174.7 | -176.8 | 0 | 0 | 0 | 0 | 107.8 | L44 V46 F58 F62 I68 S70 Y90 | L44-V88 PolarHBondContact N-O 2.82Å; L44-V88 PolarHBondContact O-N 3.21Å; V46-V88 HydrophobicContact CG2-CG2 4.31Å; F58-V88 HydrophobicContact CE1-CG2 4Å; F58-V88 HydrophobicContact CE2-CG2 4.19Å; F58-V88 HydrophobicContact CZ-CG2 3.56Å; F62-V88 HydrophobicContact CB-CG1 4.12Å; F62-V88 HydrophobicContact CB-CG2 4.19Å; F62-V88 HydrophobicContact CD1-CB 4.34Å; F62-V88 HydrophobicContact CD1-CG1 4.29Å; F62-V88 HydrophobicContact CD1-CG2 3.93Å; F62-V88 HydrophobicContact CD2-CG2 4.25Å; F62-V88 HydrophobicContact CE1-CG2 4.47Å; F62-V88 HydrophobicContact CG-CG1 4.41Å; F62-V88 HydrophobicContact CG-CG2 3.83Å; I68-V88 HydrophobicContact CD1-CG1 3.99Å; I68-V88 HydrophobicContact CG1-CG1 4.04Å; I68-V88 HydrophobicContact CG2-CG1 4.32Å; S70-V88 CarbonylContact O-C 3.54Å; S70-V88 WeakPolarHBondContact O-CA 3.18Å; V88-Y90 HydrophobicContact CG1-CD2 4.08Å; V88-Y90 HydrophobicContact CG1-CE2 3.74Å |
| 89 | N | 95.9 | Very high | 94 | Very high | 16 Ų | 16 | 46 Ų | 46 | 9% | 0.086 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 120.6 | 171 | -172.7 | 29.8 | 0 | 0 | 0 | 107.8 | T42 N43 E69 S70 | T42-N89 WeakPolarHBondContact CB-OD1 3.44Å; T42-N89 PolarHBondContact OG1-OD1 3.43Å; N43-N89 PolarHBondContact ND2-OD1 2.72Å; N43-N89 WeakPolarHBondContact OD1-CB 3.09Å; N43-N89 PolarHBondContact OD1-OD1 3.08Å; E69-N89 VanDerWaalsContact CD-ND2 3.25Å; E69-N89 PolarHBondContact N-O 3.29Å; E69-N89 PolarHBondContact OE2-ND2 2.94Å; S70-N89 PolarHBondContact N-O 3.45Å; S70-N89 VanDerWaalsContact N-O 3.16Å; S70-N89 PolarHBondContact O-N 3.28Å |
| 90 | Y | 96.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 153.7 | 174.7 | -76.9 | -82.4 | 0 | 0 | 0 | 111.3 | T42 L44 F62 E67 I68 V88 H92 D95 A96 A99 | T42-Y90 WeakPolarHBondContact CB-O 3.24Å; T42-Y90 WeakPolarHBondContact CG2-O 3.27Å; T42-Y90 PolarHBondContact O-N 2.92Å; T42-Y90 VanDerWaalsContact O-N 3.16Å; L44-Y90 HydrophobicContact CD1-CD2 4.17Å; L44-Y90 HydrophobicContact CD1-CE2 3.8Å; F62-Y90 WeakPolarHBondContact CB-OH 3.28Å; F62-Y90 HydrophobicContact CD1-CE2 4.4Å; F62-Y90 WeakPolarHBondContact CD1-OH 3.4Å; F62-Y90 PolarHBondContact O-OH 2.87Å; E67-Y90 CarbonylContact O-C 3.58Å; E67-Y90 VanDerWaalsContact O-CA 3.31Å; E67-Y90 WeakPolarHBondContact O-CA 3.14Å; E67-Y90 VanDerWaalsContact O-CD1 3.3Å; E67-Y90 WeakPolarHBondContact O-CD1 3.02Å; I68-Y90 HydrophobicContact CG1-CD1 4.25Å; I68-Y90 HydrophobicContact CG1-CE1 3.95Å; V88-Y90 HydrophobicContact CG1-CD2 4.08Å; V88-Y90 HydrophobicContact CG1-CE2 3.74Å; Y90-H92 VanDerWaalsContact C-N 3.31Å; Y90-H92 WeakPolarHBondContact CB-O 3.37Å; Y90-D95 HydrophobicContact CD1-CB 3.43Å; Y90-D95 VanDerWaalsContact CD1-CB 3.43Å; Y90-D95 HydrophobicContact CE1-CB 4.05Å; Y90-D95 HydrophobicContact CG-CB 3.74Å; Y90-A96 HydrophobicContact CD2-CB 3.85Å; Y90-A96 HydrophobicContact CG-CB 4.41Å; Y90-A99 HydrophobicContact CE2-CB 3.58Å; Y90-A99 WeakPolarHBondContact OH-CB 3.39Å |
| 91 | A | 95.4 | Very high | 94.5 | Very high | 44 Ų | 44 | 51.6 Ų | 51.6 | 36% | 0.364 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -67.9 | -33.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | E67 | E67-A91 HydrophobicContact CB-CB 4.15Å; E67-A91 HydrophobicContact CG-CB 4.18Å; E67-A91 PolarHBondContact O-N 2.95Å |
| 92 | H | 94.4 | Very high | 94.7 | Very high | 94 Ų | 94 | 50.5 Ų | 50.5 | 44% | 0.435 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -117.4 | 140.6 | -178.8 | -49.2 | 97.2 | 0 | 0 | 0 | 111.2 | Y90 E94 D95 A96 | Y90-H92 VanDerWaalsContact C-N 3.31Å; Y90-H92 WeakPolarHBondContact CB-O 3.37Å; H92-E94 VanDerWaalsContact C-N 3.3Å; H92-E94 PolarHBondContact O-N 3.36Å; H92-D95 HydrophobicContact CB-CB 4.46Å; H92-D95 IonicContact CG-OD2 2.64Å; H92-D95 IonicContact ND1-OD2 3.11Å; H92-D95 PolarHBondContact ND1-OD2 2.64Å; H92-D95 WeakPolarHBondContact O-CB 3.3Å; H92-D95 PolarHBondContact O-N 3.4Å; H92-A96 PolarHBondContact O-N 2.8Å |
| 93 | P | 94.6 | Very high | 94.8 | Very high | 43 Ų | 43 | 51 Ų | 51 | 28% | 0.279 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -69.1 | -29.5 | 177.6 | 28.5 | -34.5 | 0 | 0 | 0 | 112.4 | D39 T42 D95 A96 Q97 | D39-P93 WeakPolarHBondContact O-CB 3.34Å; D39-P93 VanDerWaalsContact O-CG 3.27Å; D39-P93 WeakPolarHBondContact O-CG 3.32Å; T42-P93 HydrophobicContact CG2-CB 4.32Å; P93-D95 VanDerWaalsContact C-N 3.31Å; P93-D95 PolarHBondContact O-N 2.85Å; P93-A96 WeakPolarHBondContact O-CB 3.31Å; P93-A96 PolarHBondContact O-N 2.92Å; P93-A96 VanDerWaalsContact O-N 3.14Å; P93-Q97 PolarHBondContact O-N 3.49Å |
| 94 | E | 94.3 | Very high | 94.9 | Very high | 130 Ų | 130 | 51.7 Ų | 51.7 | 61% | 0.607 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -56.4 | -44.8 | 172.1 | -63.6 | -177 | -154.9 | 0 | 0 | 111.5 | H92 A96 Q97 R98 | H92-E94 VanDerWaalsContact C-N 3.3Å; H92-E94 PolarHBondContact O-N 3.36Å; E94-A96 VanDerWaalsContact C-N 3.29Å; E94-A96 PolarHBondContact O-N 3.19Å; E94-Q97 PolarHBondContact O-N 2.64Å; E94-R98 WeakPolarHBondContact O-CB 3.31Å; E94-R98 VanDerWaalsContact O-CG 3.32Å; E94-R98 WeakPolarHBondContact O-CG 3.47Å; E94-R98 PolarHBondContact O-N 3.14Å |
| 95 | D | 95.3 | Very high | 94.9 | Very high | 12 Ų | 12 | 53.4 Ų | 53.4 | 6% | 0.064 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.5 | -40.3 | 177.6 | -64.1 | -16.9 | 0 | 0 | 0 | 110.9 | I65 G66 E67 Y90 H92 P93 R98 A99 | I65-D95 WeakPolarHBondContact CG2-O 3.3Å; G66-D95 WeakPolarHBondContact CA-OD2 3.43Å; E67-D95 PolarHBondContact N-OD2 3.27Å; Y90-D95 HydrophobicContact CD1-CB 3.43Å; Y90-D95 VanDerWaalsContact CD1-CB 3.43Å; Y90-D95 HydrophobicContact CE1-CB 4.05Å; Y90-D95 HydrophobicContact CG-CB 3.74Å; H92-D95 HydrophobicContact CB-CB 4.46Å; H92-D95 IonicContact CG-OD2 2.64Å; H92-D95 IonicContact ND1-OD2 3.11Å; H92-D95 PolarHBondContact ND1-OD2 2.64Å; H92-D95 WeakPolarHBondContact O-CB 3.3Å; H92-D95 PolarHBondContact O-N 3.4Å; P93-D95 VanDerWaalsContact C-N 3.31Å; P93-D95 PolarHBondContact O-N 2.85Å; D95-R98 PolarHBondContact O-N 3.4Å; D95-R98 IonicContact OD1-CZ 2.86Å; D95-R98 VanDerWaalsContact OD1-CZ 3.29Å; D95-R98 IonicContact OD1-NH1 2.79Å; D95-R98 IonicContact OD1-NH2 2.98Å; D95-R98 PolarHBondContact OD1-NH2 2.98Å; D95-A99 VanDerWaalsContact O-CB 3.29Å; D95-A99 WeakPolarHBondContact O-CB 3.36Å; D95-A99 PolarHBondContact O-N 3.06Å |
| 96 | A | 94.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66 | -43.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L44 Y90 H92 P93 E94 A99 V100 Y117 | L44-A96 HydrophobicContact CD1-CB 4.4Å; L44-A96 HydrophobicContact CD2-CB 4.13Å; L44-A96 HydrophobicContact CG-CB 4.25Å; Y90-A96 HydrophobicContact CD2-CB 3.85Å; Y90-A96 HydrophobicContact CG-CB 4.41Å; H92-A96 PolarHBondContact O-N 2.8Å; P93-A96 WeakPolarHBondContact O-CB 3.31Å; P93-A96 PolarHBondContact O-N 2.92Å; P93-A96 VanDerWaalsContact O-N 3.14Å; E94-A96 VanDerWaalsContact C-N 3.29Å; E94-A96 PolarHBondContact O-N 3.19Å; A96-A99 PolarHBondContact O-N 2.92Å; A96-V100 WeakPolarHBondContact O-CG2 3.42Å; A96-V100 PolarHBondContact O-N 2.68Å; A96-Y117 HydrophobicContact CB-CE1 4.31Å |
| 97 | Q | 94.4 | Very high | 94.6 | Very high | 88 Ų | 88 | 56.8 Ų | 56.8 | 41% | 0.411 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.9 | -44.7 | 175.6 | -165 | -167.6 | 43.3 | 0 | 0 | 111.3 | D39 P93 E94 A99 V100 K101 Y117 | D39-Q97 PolarHBondContact OD1-NE2 3.11Å; P93-Q97 PolarHBondContact O-N 3.49Å; E94-Q97 PolarHBondContact O-N 2.64Å; Q97-A99 VanDerWaalsContact C-N 3.3Å; Q97-A99 PolarHBondContact O-N 2.74Å; Q97-V100 PolarHBondContact O-N 2.8Å; Q97-K101 WeakPolarHBondContact O-CB 3.18Å; Q97-K101 PolarHBondContact O-N 3.13Å; Q97-Y117 WeakPolarHBondContact CA-OH 3.45Å |
| 98 | R | 94.6 | Very high | 94.3 | Very high | 112 Ų | 112 | 55.4 Ų | 55.4 | 42% | 0.423 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.4 | -40 | 173 | -69.8 | -163.5 | -49.1 | -114.3 | 6.6 | 111.4 | I65 E94 D95 K101 T102 | I65-R98 HydrophobicContact CG2-CB 3.66Å; I65-R98 PolarHBondContact O-NH2 3.22Å; E94-R98 WeakPolarHBondContact O-CB 3.31Å; E94-R98 VanDerWaalsContact O-CG 3.32Å; E94-R98 WeakPolarHBondContact O-CG 3.47Å; E94-R98 PolarHBondContact O-N 3.14Å; D95-R98 PolarHBondContact O-N 3.4Å; D95-R98 IonicContact OD1-CZ 2.86Å; D95-R98 VanDerWaalsContact OD1-CZ 3.29Å; D95-R98 IonicContact OD1-NH1 2.79Å; D95-R98 IonicContact OD1-NH2 2.98Å; D95-R98 PolarHBondContact OD1-NH2 2.98Å; R98-K101 PolarHBondContact O-N 2.82Å; R98-T102 WeakPolarHBondContact O-CB 3.32Å; R98-T102 PolarHBondContact O-N 3.01Å; R98-T102 PolarHBondContact O-OG1 2.87Å |
| 99 | A | 95.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -68.9 | -41.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112 | L44 F62 I65 Y90 D95 A96 Q97 L103 | L44-A99 HydrophobicContact CD1-CB 3.79Å; F62-A99 HydrophobicContact CD1-CB 4.5Å; I65-A99 HydrophobicContact CB-CB 4.34Å; I65-A99 HydrophobicContact CG1-CB 4.31Å; I65-A99 HydrophobicContact CG2-CB 3.95Å; Y90-A99 HydrophobicContact CE2-CB 3.58Å; Y90-A99 WeakPolarHBondContact OH-CB 3.39Å; D95-A99 VanDerWaalsContact O-CB 3.29Å; D95-A99 WeakPolarHBondContact O-CB 3.36Å; D95-A99 PolarHBondContact O-N 3.06Å; A96-A99 PolarHBondContact O-N 2.92Å; Q97-A99 VanDerWaalsContact C-N 3.3Å; Q97-A99 PolarHBondContact O-N 2.74Å; A99-L103 HydrophobicContact CB-CD1 4.48Å; A99-L103 VanDerWaalsContact O-CB 3.3Å; A99-L103 WeakPolarHBondContact O-CB 3.28Å; A99-L103 PolarHBondContact O-N 3.41Å |
| 100 | V | 95 | Very high | 93.4 | Very high | 32 Ų | 32 | 66.2 Ų | 66.2 | 19% | 0.194 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.9 | -47 | 171.6 | 174.4 | 0 | 0 | 0 | 0 | 110.4 | L44 A96 Q97 T102 N104 V115 Y117 | L44-V100 HydrophobicContact CD1-CG2 4.09Å; L44-V100 HydrophobicContact CD2-CG2 3.54Å; L44-V100 HydrophobicContact CG-CG2 4.48Å; A96-V100 WeakPolarHBondContact O-CG2 3.42Å; A96-V100 PolarHBondContact O-N 2.68Å; Q97-V100 PolarHBondContact O-N 2.8Å; V100-T102 PolarHBondContact O-N 3.01Å; V100-N104 WeakPolarHBondContact O-CB 3.41Å; V100-N104 PolarHBondContact O-N 3.21Å; V100-V115 HydrophobicContact CG2-CG1 4.11Å; V100-Y117 HydrophobicContact CG2-CE2 4.45Å |
| 101 | K | 93.8 | Very high | 93.1 | Very high | 188 Ų | 188 | 69.9 Ų | 69.9 | 82% | 0.817 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -66.6 | -34 | -178.7 | -170.3 | 174 | -178.7 | 176.3 | 0 | 113.7 | Q97 R98 | Q97-K101 WeakPolarHBondContact O-CB 3.18Å; Q97-K101 PolarHBondContact O-N 3.13Å; R98-K101 PolarHBondContact O-N 2.82Å |
| 102 | T | 93.3 | Very high | 93 | Very high | 87 Ų | 87 | 71.7 Ų | 71.7 | 53% | 0.534 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -96.8 | -36.9 | -171.7 | -49.1 | 0 | 0 | 0 | 0 | 113.7 | I65 R98 V100 | I65-T102 HydrophobicContact CD1-CG2 4.07Å; R98-T102 WeakPolarHBondContact O-CB 3.32Å; R98-T102 PolarHBondContact O-N 3.01Å; R98-T102 PolarHBondContact O-OG1 2.87Å; V100-T102 PolarHBondContact O-N 3.01Å |
| 103 | L | 94.6 | Very high | 93 | Very high | 12 Ų | 12 | 67.3 Ų | 67.3 | 6% | 0.063 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -104.3 | -15.6 | -171.9 | -58.2 | 177.2 | 0 | 0 | 0 | 113.5 | L61 F62 I65 A99 G105 L106 I113 V115 | L61-L103 HydrophobicContact CD1-CD2 4.47Å; F62-L103 HydrophobicContact CD1-CD1 3.67Å; F62-L103 HydrophobicContact CD2-CD1 4.36Å; F62-L103 HydrophobicContact CE1-CB 4.48Å; F62-L103 HydrophobicContact CE1-CD1 3.56Å; F62-L103 HydrophobicContact CE2-CD1 4.27Å; F62-L103 HydrophobicContact CG-CD1 4.06Å; F62-L103 HydrophobicContact CZ-CB 4.46Å; F62-L103 HydrophobicContact CZ-CD1 3.86Å; I65-L103 HydrophobicContact CD1-CD1 4.34Å; I65-L103 HydrophobicContact CD1-CD2 4.4Å; I65-L103 HydrophobicContact CD1-CG 4.24Å; I65-L103 HydrophobicContact CG1-CD1 3.74Å; I65-L103 HydrophobicContact CG1-CG 4.15Å; A99-L103 HydrophobicContact CB-CD1 4.48Å; A99-L103 VanDerWaalsContact O-CB 3.3Å; A99-L103 WeakPolarHBondContact O-CB 3.28Å; A99-L103 PolarHBondContact O-N 3.41Å; L103-G105 PolarHBondContact O-N 2.77Å; L103-L106 HydrophobicContact CD2-CD2 4.23Å; L103-L106 VanDerWaalsContact O-CB 3.32Å; L103-L106 WeakPolarHBondContact O-CB 3.46Å; L103-L106 PolarHBondContact O-N 3.45Å; L103-I113 WeakPolarHBondContact O-CD1 3.48Å; L103-I113 VanDerWaalsContact O-CG1 3.32Å; L103-I113 WeakPolarHBondContact O-CG1 3.3Å; L103-V115 HydrophobicContact CB-CG2 4Å |
| 104 | N | 93.4 | Very high | 93 | Very high | 78 Ų | 78 | 68.8 Ų | 68.8 | 42% | 0.417 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | 127.9 | 172.1 | -174.3 | 43.3 | 0 | 0 | 0 | 110 | V100 K114 V115 | V100-N104 WeakPolarHBondContact O-CB 3.41Å; V100-N104 PolarHBondContact O-N 3.21Å; N104-K114 WeakPolarHBondContact OD1-CA 3.3Å; N104-V115 HydrophobicContact CB-CB 3.99Å; N104-V115 PolarHBondContact OD1-N 2.99Å; N104-V115 PolarHBondContact OD1-O 3.44Å |
| 105 | G | 92.5 | Very high | 93 | Very high | 42 Ų | 42 | 62.7 Ų | 62.7 | 43% | 0.433 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.4 | 3.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | L103 P107 T112 I113 | L103-G105 PolarHBondContact O-N 2.77Å; G105-P107 WeakPolarHBondContact O-CD 3.47Å; G105-T112 VanDerWaalsContact O-CG2 3.28Å; G105-T112 WeakPolarHBondContact O-CG2 3Å; G105-I113 PolarHBondContact N-O 3.35Å |
| 106 | L | 92.3 | Very high | 92.9 | Very high | 55 Ų | 55 | 63.7 Ų | 63.7 | 29% | 0.288 | 35% | 0.347 | S | S | . | . | trans | -66.1 | 123.6 | 176.5 | -177.1 | 74.8 | 0 | 0 | 0 | 110.9 | L61 L103 L108 I113 | L61-L106 HydrophobicContact CD1-CD2 4.07Å; L61-L106 HydrophobicContact CD2-CD2 4.25Å; L103-L106 HydrophobicContact CD2-CD2 4.23Å; L103-L106 VanDerWaalsContact O-CB 3.32Å; L103-L106 WeakPolarHBondContact O-CB 3.46Å; L103-L106 PolarHBondContact O-N 3.45Å; L106-L108 HydrophobicContact CD2-CD2 3.85Å; L106-L108 HydrophobicContact CD2-CG 4.24Å; L106-L108 HydrophobicContact CG-CD2 4.22Å; L106-L108 HydrophobicContact CG-CG 4.47Å; L106-L108 PolarHBondContact O-N 2.82Å; L106-I113 HydrophobicContact CB-CD1 3.97Å; L106-I113 HydrophobicContact CB-CG1 3.96Å; L106-I113 HydrophobicContact CD2-CD1 4.2Å; L106-I113 PolarHBondContact O-N 2.75Å | ||
| 107 | P | 92.7 | Very high | 92.9 | Very high | 91 Ų | 91 | 65.7 Ų | 65.7 | 59% | 0.591 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 123.3 | 172.5 | 29.4 | -33.2 | 0 | 0 | 0 | 110.8 | G105 K111 | G105-P107 WeakPolarHBondContact O-CD 3.47Å; P107-K111 CarbonylContact C-O 3.52Å; P107-K111 WeakPolarHBondContact CA-O 3.41Å |
| 108 | L | 90.4 | Very high | 92.8 | Very high | 39 Ų | 39 | 62.5 Ų | 62.5 | 20% | 0.204 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 111.6 | 172 | -64 | -175.5 | 0 | 0 | 0 | 109.1 | P50 M53 L61 L106 A110 K111 I113 | P50-L108 HydrophobicContact CG-CB 3.96Å; M53-L108 HydrophobicContact CE-CD1 4.19Å; M53-L108 HydrophobicContact SD-CD1 4.04Å; L61-L108 HydrophobicContact CD2-CD1 3.9Å; L106-L108 HydrophobicContact CD2-CD2 3.85Å; L106-L108 HydrophobicContact CD2-CG 4.24Å; L106-L108 HydrophobicContact CG-CD2 4.22Å; L106-L108 HydrophobicContact CG-CG 4.47Å; L106-L108 PolarHBondContact O-N 2.82Å; L108-A110 PolarHBondContact O-N 3.01Å; L108-K111 CarbonylContact C-O 3.51Å; L108-K111 PolarHBondContact N-O 2.92Å; L108-K111 PolarHBondContact O-N 2.77Å; L108-K111 VanDerWaalsContact O-N 3.14Å; L108-K111 VanDerWaalsContact O-O 3.07Å; L108-I113 HydrophobicContact CB-CG2 4.31Å; L108-I113 HydrophobicContact CD1-CD1 4.33Å; L108-I113 HydrophobicContact CD1-CG2 3.68Å; L108-I113 HydrophobicContact CG-CG2 4.01Å |
| 109 | Q | 87.7 | Confident | 92.5 | Very high | 142 Ų | 142 | 59.6 Ų | 59.6 | 66% | 0.664 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | -130.5 | -172.1 | -53.4 | 177.1 | -7.7 | 0 | 0 | 111.1 | P50 T52 K111 | P50-Q109 HydrophobicContact CG-CB 4.42Å; P50-Q109 HydrophobicContact CG-CG 4.23Å; T52-Q109 PolarHBondContact OG1-NE2 2.76Å; Q109-K111 VanDerWaalsContact C-N 3.26Å; Q109-K111 PolarHBondContact O-N 3.16Å |
| 110 | A | 86.5 | Confident | 91.9 | Very high | 101 Ų | 101 | 65.1 Ų | 65.1 | 84% | 0.835 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | 24.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | L108 | L108-A110 PolarHBondContact O-N 3.01Š|
| 111 | K | 90.6 | Very high | 91.3 | Very high | 78 Ų | 78 | 69.4 Ų | 69.4 | 34% | 0.339 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 150.6 | -179.8 | -60.7 | -172.5 | -173.5 | -177.4 | 0 | 111.6 | Y48 L49 P107 L108 Q109 | Y48-K111 WeakPolarHBondContact O-CB 3.49Å; Y48-K111 WeakPolarHBondContact O-CD 3.42Å; L49-K111 PolarHBondContact O-NZ 3.14Å; P107-K111 CarbonylContact C-O 3.52Å; P107-K111 WeakPolarHBondContact CA-O 3.41Å; L108-K111 CarbonylContact C-O 3.51Å; L108-K111 PolarHBondContact N-O 2.92Å; L108-K111 PolarHBondContact O-N 2.77Å; L108-K111 VanDerWaalsContact O-N 3.14Å; L108-K111 VanDerWaalsContact O-O 3.07Å; Q109-K111 VanDerWaalsContact C-N 3.26Å; Q109-K111 PolarHBondContact O-N 3.16Å |
| 112 | T | 92.1 | Very high | 90.8 | Very high | 81 Ų | 81 | 62.7 Ų | 62.7 | 50% | 0.497 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 120.8 | 169.5 | -55 | 0 | 0 | 0 | 0 | 108.5 | Y48 G105 | Y48-T112 WeakPolarHBondContact CB-O 3.42Å; G105-T112 VanDerWaalsContact O-CG2 3.28Å; G105-T112 WeakPolarHBondContact O-CG2 3Å |
| 113 | I | 94.7 | Very high | 90.3 | Very high | 2 Ų | 2 | 64.2 Ų | 64.2 | 1% | 0.01 | 38% | 0.381 | C | S | . | . | trans | -74.9 | 143.2 | -177.6 | 74.4 | -179.1 | 0 | 0 | 0 | 110.8 | V46 N47 L49 L61 F62 L103 G105 L106 L108 V115 | V46-I113 HydrophobicContact CG1-CB 4.41Å; V46-I113 HydrophobicContact CG1-CD1 4.33Å; N47-I113 WeakPolarHBondContact O-CA 3.31Å; L49-I113 HydrophobicContact CD2-CG2 3.93Å; L61-I113 HydrophobicContact CD2-CD1 4.46Å; F62-I113 HydrophobicContact CZ-CD1 4.49Å; L103-I113 WeakPolarHBondContact O-CD1 3.48Å; L103-I113 VanDerWaalsContact O-CG1 3.32Å; L103-I113 WeakPolarHBondContact O-CG1 3.3Å; G105-I113 PolarHBondContact N-O 3.35Å; L106-I113 HydrophobicContact CB-CD1 3.97Å; L106-I113 HydrophobicContact CB-CG1 3.96Å; L106-I113 HydrophobicContact CD2-CD1 4.2Å; L106-I113 PolarHBondContact O-N 2.75Å; L108-I113 HydrophobicContact CB-CG2 4.31Å; L108-I113 HydrophobicContact CD1-CD1 4.33Å; L108-I113 HydrophobicContact CD1-CG2 3.68Å; L108-I113 HydrophobicContact CG-CG2 4.01Å; I113-V115 HydrophobicContact CD1-CG2 4.05Å; I113-V115 HydrophobicContact CG1-CG2 4.17Å | ||
| 114 | K | 93.6 | Very high | 89.8 | Confident | 74 Ų | 74 | 68 Ų | 68 | 32% | 0.322 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 115 | 170.7 | -178.7 | 172.3 | -178.7 | 172.5 | 0 | 109.3 | V46 N47 Y48 N104 | V46-K114 WeakPolarHBondContact CA-O 3.29Å; N47-K114 HydrophobicContact CB-CB 4.39Å; N47-K114 PolarHBondContact N-O 3.29Å; N47-K114 PolarHBondContact O-N 3.31Å; Y48-K114 HydrophobicContact CD2-CB 3.78Å; Y48-K114 HydrophobicContact CE2-CB 3.83Å; N104-K114 WeakPolarHBondContact OD1-CA 3.3Å |
| 115 | V | 95.4 | Very high | 89.5 | Confident | 2 Ų | 2 | 65.8 Ų | 65.8 | 1% | 0.012 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 128.5 | 176 | -174.1 | 0 | 0 | 0 | 0 | 108.1 | L44 V46 F62 V100 L103 N104 I113 | L44-V115 HydrophobicContact CD1-CG1 3.87Å; V46-V115 HydrophobicContact CG1-CG2 4.14Å; V46-V115 HydrophobicContact CG2-CG2 4.42Å; F62-V115 HydrophobicContact CE1-CG1 4.08Å; F62-V115 HydrophobicContact CE1-CG2 4.14Å; F62-V115 HydrophobicContact CZ-CG2 3.84Å; V100-V115 HydrophobicContact CG2-CG1 4.11Å; L103-V115 HydrophobicContact CB-CG2 4Å; N104-V115 HydrophobicContact CB-CB 3.99Å; N104-V115 PolarHBondContact OD1-N 2.99Å; N104-V115 PolarHBondContact OD1-O 3.44Å; I113-V115 HydrophobicContact CD1-CG2 4.05Å; I113-V115 HydrophobicContact CG1-CG2 4.17Å |
| 116 | S | 93.5 | Very high | 89.2 | Confident | 34 Ų | 34 | 69.9 Ų | 69.9 | 24% | 0.238 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 157.1 | -178.4 | 51.2 | 0 | 0 | 0 | 0 | 109.9 | L44 I45 A118 | L44-S116 WeakPolarHBondContact CA-O 3.45Å; I45-S116 WeakPolarHBondContact CG2-OG 3.43Å; I45-S116 PolarHBondContact N-O 3.45Å; I45-S116 PolarHBondContact O-N 3.23Å; I45-S116 VanDerWaalsContact O-N 3.14Å; S116-A118 PolarHBondContact O-N 2.95Å |
| 117 | Y | 94.2 | Very high | 88.8 | Confident | 42 Ų | 42 | 69.4 Ų | 69.4 | 17% | 0.165 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.8 | 133.1 | 171.9 | -66.1 | -69.6 | 0 | 0 | 0 | 111.7 | R41 L44 A96 Q97 V100 | R41-Y117 HydrophobicContact CB-CD1 3.52Å; R41-Y117 HydrophobicContact CB-CE1 3.77Å; R41-Y117 HydrophobicContact CB-CG 4.25Å; R41-Y117 HydrophobicContact CG-CD1 4.49Å; R41-Y117 WeakPolarHBondContact O-CE1 3.45Å; L44-Y117 HydrophobicContact CD2-CD1 3.52Å; L44-Y117 HydrophobicContact CD2-CE1 3.81Å; L44-Y117 HydrophobicContact CD2-CG 4.22Å; A96-Y117 HydrophobicContact CB-CE1 4.31Å; Q97-Y117 WeakPolarHBondContact CA-OH 3.45Å; V100-Y117 HydrophobicContact CG2-CE2 4.45Å |
| 118 | A | 92.6 | Very high | 88.8 | Confident | 20 Ų | 20 | 65.1 Ų | 65.1 | 17% | 0.165 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 140.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | N43 I45 F87 S116 | N43-A118 HydrophobicContact CB-CB 4.07Å; N43-A118 PolarHBondContact O-N 2.91Å; I45-A118 HydrophobicContact CB-CB 4.25Å; F87-A118 HydrophobicContact CD1-CB 4.18Å; F87-A118 HydrophobicContact CE1-CB 4.35Å; S116-A118 PolarHBondContact O-N 2.95Å |
| 119 | R | 87.4 | Confident | 89 | Confident | 52 Ų | 52 | 65.7 Ų | 65.7 | 20% | 0.196 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -87.3 | 140.7 | 173.1 | -60.8 | 175.5 | 63.2 | -129.6 | -26.1 | 108.5 | S121 I125 D177 | R119-S121 PolarHBondContact O-N 3.45Å; R119-I125 HydrophobicContact CB-CD1 4.22Å; R119-D177 VanDerWaalsContact CZ-CG 3.44Å; R119-D177 IonicContact CZ-OD1 3.04Å; R119-D177 IonicContact CZ-OD2 3.29Å; R119-D177 IonicContact NE-OD1 3.58Å; R119-D177 PolarHBondContact NE-OD1 3.47Å; R119-D177 PolarHBondContact NH1-O 3.49Å; R119-D177 IonicContact NH1-OD1 3.92Å; R119-D177 VanDerWaalsContact NH2-C 3.3Å; R119-D177 PolarHBondContact NH2-O 2.81Å; R119-D177 IonicContact NH2-OD1 3.8Å; R119-D177 PolarHBondContact NH2-OD1 3.03Å; R119-D177 IonicContact NH2-OD2 2.64Å; R119-D177 PolarHBondContact NH2-OD2 2.98Å |
| 120 | P | 84.4 | Confident | 89.4 | Confident | 116 Ų | 116 | 58.9 Ų | 58.9 | 75% | 0.753 | 35% | 0.346 | S | S | * | . | P | Polyproline II helix | trans | -50.8 | 135.6 | 173.8 | -28 | 35.6 | 0 | 0 | 0 | 111.5 | S122 | P120-S122 PolarHBondContact O-N 2.57Š|
| 121 | S | 82 | Confident | 89.9 | Confident | 122 Ų | 122 | 57 Ų | 57 | 85% | 0.853 | 32% | 0.317 | S | S | * | . | trans | -71.4 | 115.6 | -179.3 | -73.1 | 0 | 0 | 0 | 0 | 110.3 | R119 | R119-S121 PolarHBondContact O-N 3.45Š| ||
| 122 | S | 82.6 | Confident | 90.1 | Very high | 47 Ų | 47 | 53.2 Ų | 53.2 | 33% | 0.329 | 30% | 0.301 | S | S | . | . | trans | -142.2 | 154 | 174.8 | 169.4 | 0 | 0 | 0 | 0 | 109.7 | P120 M124 I125 | P120-S122 PolarHBondContact O-N 2.57Å; S122-M124 PolarHBondContact O-N 3.31Å; S122-M124 PolarHBondContact OG-N 3.38Å; S122-I125 WeakPolarHBondContact O-CG1 3.27Å; S122-I125 PolarHBondContact O-N 3.45Å | ||
| 123 | D | 83.9 | Confident | 90.2 | Very high | 119 Ų | 119 | 51.7 Ų | 51.7 | 64% | 0.636 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -67.6 | -27 | 173 | -69.9 | -64.7 | 0 | 0 | 0 | 112.2 | I125 K126 | D123-I125 PolarHBondContact O-N 3.05Å; D123-I125 VanDerWaalsContact O-N 3.14Å; D123-K126 WeakPolarHBondContact O-CB 3.34Å; D123-K126 PolarHBondContact O-N 2.95Å; D123-K126 VanDerWaalsContact O-N 3.11Å; D123-K126 WeakPolarHBondContact OD1-CD 3.2Å; D123-K126 WeakPolarHBondContact OD1-CE 3.08Å; D123-K126 IonicContact OD1-NZ 2.81Å; D123-K126 PolarHBondContact OD1-NZ 3.26Å |
| 124 | M | 83.9 | Confident | 90.1 | Very high | 92 Ų | 92 | 52 Ų | 52 | 45% | 0.453 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -63 | -19.9 | 176.8 | -59.4 | 179.4 | 75.5 | 0 | 0 | 113.7 | S122 R178 R179 | S122-M124 PolarHBondContact O-N 3.31Å; S122-M124 PolarHBondContact OG-N 3.38Å; M124-R178 CarbonylContact O-C 3.57Å; M124-R178 WeakPolarHBondContact O-CA 3.4Å; M124-R179 PolarHBondContact O-N 3.33Å |
| 125 | I | 85.7 | Confident | 90 | Very high | 31 Ų | 31 | 48.9 Ų | 48.9 | 16% | 0.159 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -95.4 | -3.7 | -179 | 75.9 | 151.2 | 0 | 0 | 0 | 112.8 | R119 S122 D123 | R119-I125 HydrophobicContact CB-CD1 4.22Å; S122-I125 WeakPolarHBondContact O-CG1 3.27Å; S122-I125 PolarHBondContact O-N 3.45Å; D123-I125 PolarHBondContact O-N 3.05Å; D123-I125 VanDerWaalsContact O-N 3.14Å |
| 126 | K | 85.8 | Confident | 89.8 | Confident | 128 Ų | 128 | 49.2 Ų | 49.2 | 56% | 0.557 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -89.9 | 145.6 | 176.7 | -59.1 | 175.3 | -170.2 | 166.9 | 0 | 109.3 | D123 A128 | D123-K126 WeakPolarHBondContact O-CB 3.34Å; D123-K126 PolarHBondContact O-N 2.95Å; D123-K126 VanDerWaalsContact O-N 3.11Å; D123-K126 WeakPolarHBondContact OD1-CD 3.2Å; D123-K126 WeakPolarHBondContact OD1-CE 3.08Å; D123-K126 IonicContact OD1-NZ 2.81Å; D123-K126 PolarHBondContact OD1-NZ 3.26Å; K126-A128 PolarHBondContact O-N 2.89Å; K126-A128 VanDerWaalsContact O-N 3.13Å |
| 127 | G | 85 | Confident | 89.6 | Confident | 45 Ų | 45 | 55 Ų | 55 | 46% | 0.464 | 30% | 0.304 | S | S | . | . | S | Bend | trans | 68.3 | 7.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | N129 F205 | G127-N129 PolarHBondContact O-N 2.73Å; G127-N129 VanDerWaalsContact O-N 3.1Å; G127-F205 WeakPolarHBondContact O-CD1 3.21Å; G127-F205 WeakPolarHBondContact O-CE1 3.3Å |
| 128 | A | 93.1 | Very high | 89.4 | Confident | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.008 | 33% | 0.33 | C | S | . | . | trans | -78.8 | 26.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114 | K126 R175 F176 R178 A182 | K126-A128 PolarHBondContact O-N 2.89Å; K126-A128 VanDerWaalsContact O-N 3.13Å; A128-R175 WeakPolarHBondContact O-CA 3.44Å; A128-F176 HydrophobicContact CB-CB 4.43Å; A128-F176 PolarHBondContact O-N 2.89Å; A128-R178 WeakPolarHBondContact CB-O 3.5Å; A128-A182 HydrophobicContact CB-CB 4.49Å | ||
| 129 | N | 94.5 | Very high | 89.2 | Confident | 50 Ų | 50 | 58.7 Ų | 58.7 | 27% | 0.267 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 124 | -179 | -170.7 | 41.6 | 0 | 0 | 0 | 109.7 | G127 R175 A206 | G127-N129 PolarHBondContact O-N 2.73Å; G127-N129 VanDerWaalsContact O-N 3.1Å; N129-R175 HydrophobicContact CB-CG 4.49Å; N129-A206 HydrophobicContact CB-CB 4.31Å; N129-A206 WeakPolarHBondContact ND2-CB 3.49Å; N129-A206 WeakPolarHBondContact O-CB 3.19Å; N129-A206 PolarHBondContact O-N 3.3Å |
| 130 | L | 96.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 146.9 | -179.9 | -59.1 | -174.9 | 0 | 0 | 0 | 111.1 | I132 F148 F173 V174 F176 A182 A185 I186 V203 K204 F205 | L130-I132 HydrophobicContact CB-CD1 4.09Å; L130-F148 HydrophobicContact CD1-CD1 4.31Å; L130-F148 HydrophobicContact CD1-CE1 3.88Å; L130-F173 VanDerWaalsContact O-CA 3.3Å; L130-F173 WeakPolarHBondContact O-CA 3.34Å; L130-V174 WeakPolarHBondContact CB-O 3.45Å; L130-V174 PolarHBondContact N-O 2.95Å; L130-V174 PolarHBondContact O-N 2.93Å; L130-F176 HydrophobicContact CD1-CD2 4.06Å; L130-F176 HydrophobicContact CD1-CE2 3.69Å; L130-F176 HydrophobicContact CG-CD2 4.46Å; L130-A182 HydrophobicContact CD1-CB 4.33Å; L130-A182 HydrophobicContact CD2-CB 3.91Å; L130-A182 HydrophobicContact CG-CB 4.11Å; L130-A185 HydrophobicContact CD1-CB 4Å; L130-I186 HydrophobicContact CD1-CG1 4.38Å; L130-I186 HydrophobicContact CD2-CD1 3.55Å; L130-I186 HydrophobicContact CD2-CG1 3.67Å; L130-V203 HydrophobicContact CB-CG1 4.41Å; L130-V203 HydrophobicContact CD1-CG1 3.79Å; L130-K204 CarbonylContact C-O 3.53Å; L130-K204 WeakPolarHBondContact CA-O 3.32Å; L130-F205 HydrophobicContact CD2-CD1 4.09Å; L130-F205 HydrophobicContact CD2-CE1 4.17Å |
| 131 | Y | 96 | Very high | 89.7 | Confident | 60 Ų | 60 | 55.7 Ų | 55.7 | 24% | 0.235 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 127.6 | 165.6 | 168.9 | -89.5 | 0 | 0 | 0 | 107.1 | N133 V171 F173 K204 | Y131-N133 HydrophobicContact CE1-CB 3.74Å; Y131-V171 HydrophobicContact CD2-CG1 4.08Å; Y131-V171 HydrophobicContact CE2-CG1 3.41Å; Y131-V171 VanDerWaalsContact CE2-CG1 3.41Å; Y131-V171 HydrophobicContact CE2-CG2 4.42Å; Y131-F173 AromaticContact CD2-CE1 3.78Å; Y131-F173 HydrophobicContact CD2-CE1 3.78Å; Y131-F173 AromaticContact CD2-CZ 3.81Å; Y131-F173 HydrophobicContact CD2-CZ 3.81Å; Y131-F173 HydrophobicContact CE2-CZ 4.37Å; Y131-K204 HydrophobicContact CD1-CD 4.38Å; Y131-K204 HydrophobicContact CD1-CG 4.03Å; Y131-K204 PolarHBondContact N-O 3.45Å; Y131-K204 PolarHBondContact O-N 3.21Å |
| 132 | I | 95.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 134.1 | 179.3 | -51.9 | 82.6 | 0 | 0 | 0 | 107.5 | L130 L135 F148 V171 G172 V174 M201 W202 V203 | L130-I132 HydrophobicContact CB-CD1 4.09Å; I132-L135 HydrophobicContact CB-CD1 4.4Å; I132-L135 HydrophobicContact CG2-CD1 4.21Å; I132-L135 HydrophobicContact CG2-CD2 3.75Å; I132-L135 HydrophobicContact CG2-CG 3.84Å; I132-F148 HydrophobicContact CD1-CE2 4.48Å; I132-F148 HydrophobicContact CD1-CZ 4.19Å; I132-F148 HydrophobicContact CG1-CE1 4.36Å; I132-F148 HydrophobicContact CG1-CE2 3.91Å; I132-F148 HydrophobicContact CG1-CZ 3.52Å; I132-V171 CarbonylContact O-C 3.57Å; I132-V171 VanDerWaalsContact O-CA 3.27Å; I132-V171 WeakPolarHBondContact O-CA 3.46Å; I132-G172 PolarHBondContact N-O 2.93Å; I132-G172 PolarHBondContact O-N 3.23Å; I132-V174 HydrophobicContact CD1-CB 4.07Å; I132-V174 HydrophobicContact CD1-CG2 3.83Å; I132-M201 HydrophobicContact CG2-CB 4.39Å; I132-M201 HydrophobicContact CG2-SD 4.42Å; I132-W202 CarbonylContact C-O 3.55Å; I132-W202 WeakPolarHBondContact CA-O 3.47Å; I132-V203 HydrophobicContact CG1-CG1 4.41Å; I132-V203 HydrophobicContact CG1-CG2 4.49Å; I132-V203 HydrophobicContact CG2-CG2 4.32Å |
| 133 | N | 94 | Very high | 90.7 | Very high | 48 Ų | 48 | 56 Ų | 56 | 26% | 0.257 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 159.6 | 172.3 | -168.3 | 22.7 | 0 | 0 | 0 | 109.5 | Y131 G170 V171 M201 W202 | Y131-N133 HydrophobicContact CE1-CB 3.74Å; N133-G170 CarbonylContact C-O 3.57Å; N133-G170 PolarHBondContact OD1-O 3.46Å; N133-V171 HydrophobicContact CB-CG2 4.48Å; N133-V171 WeakPolarHBondContact OD1-CG2 3.3Å; N133-M201 CarbonylContact O-C 3.27Å; N133-M201 WeakPolarHBondContact O-CA 3.37Å; N133-M201 WeakPolarHBondContact O-CB 3.43Å; N133-W202 PolarHBondContact N-O 3.43Å; N133-W202 PolarHBondContact O-N 3.34Å |
| 134 | G | 91.7 | Very high | 91.2 | Very high | 9 Ų | 9 | 50.3 Ų | 50.3 | 9% | 0.093 | 28% | 0.276 | C | S | . | . | S | Bend | trans | 78 | 27 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | G170 | G134-G170 PolarHBondContact N-O 3.21Å; G134-G170 VanDerWaalsContact N-O 3.09Å |
| 135 | L | 92.4 | Very high | 91.7 | Very high | 8 Ų | 8 | 49.7 Ų | 49.7 | 4% | 0.042 | 27% | 0.272 | C | S | . | . | trans | -77.9 | 144.5 | 170.4 | -65.7 | 176.4 | 0 | 0 | 0 | 110.8 | I132 L144 M147 I159 G170 | I132-L135 HydrophobicContact CB-CD1 4.4Å; I132-L135 HydrophobicContact CG2-CD1 4.21Å; I132-L135 HydrophobicContact CG2-CD2 3.75Å; I132-L135 HydrophobicContact CG2-CG 3.84Å; L135-L144 HydrophobicContact CD1-CD1 3.85Å; L135-L144 HydrophobicContact CD1-CD2 4.5Å; L135-L144 HydrophobicContact CD2-CD1 4.02Å; L135-M147 HydrophobicContact CD2-CE 4.19Å; L135-I159 HydrophobicContact CD1-CD1 4.48Å; L135-I159 HydrophobicContact CD1-CG1 4.34Å; L135-G170 PolarHBondContact N-O 2.93Å; L135-G170 VanDerWaalsContact O-CA 3.26Å; L135-G170 WeakPolarHBondContact O-CA 3.36Å | ||
| 136 | P | 90.8 | Very high | 92 | Very high | 10 Ų | 10 | 54.4 Ų | 54.4 | 7% | 0.065 | 30% | 0.297 | C | S | . | . | trans | -54.9 | 143.8 | 170.1 | -19.4 | 27.8 | 0 | 0 | 0 | 111 | T138 M139 P194 A195 | P136-T138 PolarHBondContact O-N 2.89Å; P136-M139 HydrophobicContact CB-CB 4.22Å; P136-M139 HydrophobicContact CG-CB 4.37Å; P136-M139 HydrophobicContact CG-SD 4.22Å; P136-M139 WeakPolarHBondContact O-CB 3.36Å; P136-M139 PolarHBondContact O-N 2.71Å; P136-M139 VanDerWaalsContact O-N 3.07Å; P136-P194 HydrophobicContact CG-CB 4.23Å; P136-P194 HydrophobicContact CG-CG 4.12Å; P136-A195 WeakPolarHBondContact CG-O 3.4Å | ||
| 137 | K | 89.1 | Confident | 92.3 | Very high | 156 Ų | 156 | 50.3 Ų | 50.3 | 68% | 0.678 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -19.7 | 175.9 | -66.8 | -174.6 | -178.9 | 175.5 | 0 | 113.1 | I167 S168 | K137-I167 HydrophobicContact CD-CG2 4.28Å; K137-S168 WeakPolarHBondContact O-CB 3.25Å |
| 138 | T | 90 | Very high | 92.8 | Very high | 116 Ų | 116 | 48.2 Ų | 48.2 | 71% | 0.712 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -16 | 174.4 | 49.1 | 0 | 0 | 0 | 0 | 113.6 | P136 T140 | P136-T138 PolarHBondContact O-N 2.89Å; T138-T140 PolarHBondContact O-N 3.37Å |
| 139 | M | 89.9 | Confident | 92.9 | Very high | 23 Ų | 23 | 50.5 Ų | 50.5 | 11% | 0.113 | 28% | 0.277 | C | S | . | . | trans | -60.9 | 132.3 | -175.5 | -165.1 | 94.8 | 176.4 | 0 | 0 | 111 | P136 E143 L144 M147 I159 | P136-M139 HydrophobicContact CB-CB 4.22Å; P136-M139 HydrophobicContact CG-CB 4.37Å; P136-M139 HydrophobicContact CG-SD 4.22Å; P136-M139 WeakPolarHBondContact O-CB 3.36Å; P136-M139 PolarHBondContact O-N 2.71Å; P136-M139 VanDerWaalsContact O-N 3.07Å; M139-E143 WeakPolarHBondContact CA-OE2 3.41Å; M139-E143 HydrophobicContact CE-CB 3.91Å; M139-E143 HydrophobicContact CG-CB 4.45Å; M139-E143 HydrophobicContact SD-CB 4.27Å; M139-L144 HydrophobicContact CE-CB 4.41Å; M139-M147 HydrophobicContact CE-CB 4.4Å; M139-M147 HydrophobicContact CE-CE 3.82Å; M139-M147 HydrophobicContact CE-SD 3.9Å; M139-I159 HydrophobicContact CB-CD1 4.02Å; M139-I159 HydrophobicContact CG-CD1 3.95Å; M139-I159 WeakPolarHBondContact O-CD1 3.32Å | ||
| 140 | T | 91.6 | Very high | 92.9 | Very high | 64 Ų | 64 | 53.1 Ų | 53.1 | 39% | 0.393 | 30% | 0.297 | S | S | . | . | trans | -97.6 | 162.7 | 176.7 | 66.6 | 0 | 0 | 0 | 0 | 111.8 | T138 S142 E143 L144 I159 | T138-T140 PolarHBondContact O-N 3.37Å; T140-S142 PolarHBondContact O-N 2.95Å; T140-E143 PolarHBondContact N-OE2 3.01Å; T140-E143 PolarHBondContact O-N 2.79Å; T140-E143 VanDerWaalsContact OG1-CG 3.27Å; T140-E143 WeakPolarHBondContact OG1-CG 3.43Å; T140-E143 PolarHBondContact OG1-N 3.34Å; T140-E143 PolarHBondContact OG1-OE2 2.85Å; T140-L144 PolarHBondContact O-N 3.1Å; T140-I159 VanDerWaalsContact C-CD1 3.44Å; T140-I159 WeakPolarHBondContact O-CD1 3.32Å | ||
| 141 | S | 90.6 | Very high | 92.9 | Very high | 41 Ų | 41 | 55 Ų | 55 | 29% | 0.287 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.5 | -31.9 | 177.4 | -154.1 | 0 | 0 | 0 | 0 | 112.1 | L144 E145 S157 R158 | S141-L144 PolarHBondContact O-N 2.87Å; S141-E145 WeakPolarHBondContact O-CB 3.49Å; S141-E145 PolarHBondContact O-N 2.86Å; S141-S157 PolarHBondContact OG-OG 3.1Å; S141-S157 VanDerWaalsContact OG-OG 3.05Å; S141-R158 WeakPolarHBondContact OG-CA 3.38Å |
| 142 | S | 92.6 | Very high | 92.8 | Very high | 84 Ų | 84 | 53 Ų | 53 | 59% | 0.587 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -69.6 | -42.2 | 177.3 | -48.8 | 0 | 0 | 0 | 0 | 111.9 | T140 L144 E145 L146 | T140-S142 PolarHBondContact O-N 2.95Å; S142-L144 VanDerWaalsContact C-N 3.34Å; S142-E145 PolarHBondContact O-N 2.84Å; S142-L146 WeakPolarHBondContact O-CG 3.4Å; S142-L146 PolarHBondContact O-N 2.89Å |
| 143 | E | 92.5 | Very high | 92.7 | Very high | 90 Ų | 90 | 59.3 Ų | 59.3 | 42% | 0.421 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.2 | -39.7 | 173.2 | -70.8 | 159.3 | 162.4 | 0 | 0 | 111.5 | M139 T140 E145 L146 M147 | M139-E143 WeakPolarHBondContact CA-OE2 3.41Å; M139-E143 HydrophobicContact CE-CB 3.91Å; M139-E143 HydrophobicContact CG-CB 4.45Å; M139-E143 HydrophobicContact SD-CB 4.27Å; T140-E143 PolarHBondContact N-OE2 3.01Å; T140-E143 PolarHBondContact O-N 2.79Å; T140-E143 VanDerWaalsContact OG1-CG 3.27Å; T140-E143 WeakPolarHBondContact OG1-CG 3.43Å; T140-E143 PolarHBondContact OG1-N 3.34Å; T140-E143 PolarHBondContact OG1-OE2 2.85Å; E143-E145 VanDerWaalsContact C-N 3.28Å; E143-E145 PolarHBondContact O-N 2.8Å; E143-L146 PolarHBondContact O-N 2.78Å; E143-M147 VanDerWaalsContact O-CB 3.32Å; E143-M147 WeakPolarHBondContact O-CB 3.46Å; E143-M147 PolarHBondContact O-N 3.28Å |
| 144 | L | 93.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.3 | -40.2 | 174.3 | -178.1 | 69.8 | 0 | 0 | 0 | 110.9 | L135 M139 T140 S141 S142 M147 F148 I159 V174 | L135-L144 HydrophobicContact CD1-CD1 3.85Å; L135-L144 HydrophobicContact CD1-CD2 4.5Å; L135-L144 HydrophobicContact CD2-CD1 4.02Å; M139-L144 HydrophobicContact CE-CB 4.41Å; T140-L144 PolarHBondContact O-N 3.1Å; S141-L144 PolarHBondContact O-N 2.87Å; S142-L144 VanDerWaalsContact C-N 3.34Å; L144-M147 HydrophobicContact CD1-CE 4.2Å; L144-F148 HydrophobicContact CD1-CD2 3.86Å; L144-F148 HydrophobicContact CD1-CE2 3.71Å; L144-F148 HydrophobicContact CG-CD2 4.42Å; L144-F148 WeakPolarHBondContact O-CD2 3.46Å; L144-F148 PolarHBondContact O-N 2.86Å; L144-I159 HydrophobicContact CB-CD1 4.39Å; L144-I159 HydrophobicContact CD2-CG1 3.86Å; L144-V174 HydrophobicContact CD1-CG2 4.21Å; L144-V174 HydrophobicContact CD2-CG2 3.83Å; L144-V174 HydrophobicContact CG-CG2 3.79Å |
| 145 | E | 94.6 | Very high | 92.7 | Very high | 79 Ų | 79 | 60.1 Ų | 60.1 | 37% | 0.369 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -66.9 | -49 | 177.1 | -165.9 | 149.5 | 162.8 | 0 | 0 | 111.6 | S141 S142 E143 M147 F148 A149 I154 S157 | S141-E145 WeakPolarHBondContact O-CB 3.49Å; S141-E145 PolarHBondContact O-N 2.86Å; S142-E145 PolarHBondContact O-N 2.84Å; E143-E145 VanDerWaalsContact C-N 3.28Å; E143-E145 PolarHBondContact O-N 2.8Å; E145-M147 VanDerWaalsContact C-N 3.28Å; E145-M147 PolarHBondContact O-N 2.94Å; E145-F148 PolarHBondContact O-N 2.94Å; E145-F148 VanDerWaalsContact O-N 3.14Å; E145-A149 VanDerWaalsContact O-CB 3.28Å; E145-A149 WeakPolarHBondContact O-CB 3.32Å; E145-A149 PolarHBondContact O-N 2.79Å; E145-I154 HydrophobicContact CB-CD1 4.48Å; E145-I154 HydrophobicContact CG-CB 4.45Å; E145-I154 HydrophobicContact CG-CD1 3.81Å; E145-I154 HydrophobicContact CG-CG2 4.29Å; E145-I154 WeakPolarHBondContact O-CD1 3.34Å; E145-S157 VanDerWaalsContact OE2-CB 3.28Å; E145-S157 WeakPolarHBondContact OE2-CB 3.49Å; E145-S157 PolarHBondContact OE2-OG 3.17Å |
| 146 | L | 93.7 | Very high | 92.6 | Very high | 130 Ų | 130 | 61.9 Ų | 61.9 | 68% | 0.681 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -57.8 | -38.4 | 175.6 | -72.1 | 169.5 | 0 | 0 | 0 | 112.8 | S142 E143 P150 | S142-L146 WeakPolarHBondContact O-CG 3.4Å; S142-L146 PolarHBondContact O-N 2.89Å; E143-L146 PolarHBondContact O-N 2.78Å; L146-P150 WeakPolarHBondContact O-CD 3.23Å |
| 147 | M | 92.1 | Very high | 92.8 | Very high | 43 Ų | 43 | 62.5 Ų | 62.5 | 21% | 0.212 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -69.6 | -32.6 | 178.4 | -172.2 | 172.3 | 74.7 | 0 | 0 | 112.8 | L135 M139 E143 L144 E145 F151 P194 M201 | L135-M147 HydrophobicContact CD2-CE 4.19Å; M139-M147 HydrophobicContact CE-CB 4.4Å; M139-M147 HydrophobicContact CE-CE 3.82Å; M139-M147 HydrophobicContact CE-SD 3.9Å; E143-M147 VanDerWaalsContact O-CB 3.32Å; E143-M147 WeakPolarHBondContact O-CB 3.46Å; E143-M147 PolarHBondContact O-N 3.28Å; L144-M147 HydrophobicContact CD1-CE 4.2Å; E145-M147 VanDerWaalsContact C-N 3.28Å; E145-M147 PolarHBondContact O-N 2.94Å; M147-F151 WeakPolarHBondContact O-CE2 3.36Å; M147-P194 HydrophobicContact SD-CB 4.34Å; M147-M201 HydrophobicContact CE-CE 3.59Å; M147-M201 HydrophobicContact CE-SD 3.76Å; M147-M201 HydrophobicContact SD-CE 3.71Å |
| 148 | F | 94.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -96.9 | -18.7 | -178.6 | -83.9 | -95 | 0 | 0 | 0 | 114 | L130 I132 L144 E145 P150 F151 I154 V174 F176 A185 L189 V203 | L130-F148 HydrophobicContact CD1-CD1 4.31Å; L130-F148 HydrophobicContact CD1-CE1 3.88Å; I132-F148 HydrophobicContact CD1-CE2 4.48Å; I132-F148 HydrophobicContact CD1-CZ 4.19Å; I132-F148 HydrophobicContact CG1-CE1 4.36Å; I132-F148 HydrophobicContact CG1-CE2 3.91Å; I132-F148 HydrophobicContact CG1-CZ 3.52Å; L144-F148 HydrophobicContact CD1-CD2 3.86Å; L144-F148 HydrophobicContact CD1-CE2 3.71Å; L144-F148 HydrophobicContact CG-CD2 4.42Å; L144-F148 WeakPolarHBondContact O-CD2 3.46Å; L144-F148 PolarHBondContact O-N 2.86Å; E145-F148 PolarHBondContact O-N 2.94Å; E145-F148 VanDerWaalsContact O-N 3.14Å; F148-P150 VanDerWaalsContact C-CD 3.4Å; F148-F151 WeakPolarHBondContact O-CD2 3.19Å; F148-F151 PolarHBondContact O-N 2.91Å; F148-I154 HydrophobicContact CB-CD1 3.69Å; F148-V174 HydrophobicContact CB-CG1 4.05Å; F148-V174 HydrophobicContact CB-CG2 4.37Å; F148-V174 HydrophobicContact CD1-CB 4.45Å; F148-V174 HydrophobicContact CD1-CG1 4.31Å; F148-V174 HydrophobicContact CD1-CG2 4.44Å; F148-V174 HydrophobicContact CD2-CG2 3.99Å; F148-V174 HydrophobicContact CE2-CG2 4.38Å; F148-V174 HydrophobicContact CG-CB 4.43Å; F148-V174 HydrophobicContact CG-CG1 4.23Å; F148-V174 HydrophobicContact CG-CG2 4.02Å; F148-F176 HydrophobicContact CB-CZ 3.97Å; F148-F176 AromaticContact CD1-CE2 3.89Å; F148-F176 HydrophobicContact CD1-CE2 3.89Å; F148-F176 AromaticContact CD1-CZ 3.87Å; F148-F176 HydrophobicContact CD1-CZ 3.87Å; F148-F176 HydrophobicContact CG-CZ 4.43Å; F148-F176 WeakPolarHBondContact O-CE1 3.26Å; F148-F176 WeakPolarHBondContact O-CZ 3.32Å; F148-A185 HydrophobicContact CD1-CB 4.05Å; F148-A185 HydrophobicContact CE1-CB 4.2Å; F148-L189 HydrophobicContact CD1-CD1 3.63Å; F148-L189 HydrophobicContact CD2-CD1 4.04Å; F148-L189 HydrophobicContact CE1-CD1 3.43Å; F148-L189 VanDerWaalsContact CE1-CD1 3.43Å; F148-L189 HydrophobicContact CE2-CD1 3.86Å; F148-L189 HydrophobicContact CG-CD1 3.94Å; F148-L189 HydrophobicContact CZ-CD1 3.54Å; F148-V203 HydrophobicContact CE1-CG1 3.98Å; F148-V203 HydrophobicContact CZ-CG1 4.11Å; F148-V203 HydrophobicContact CZ-CG2 3.99Å |
| 149 | A | 94.6 | Very high | 93.1 | Very high | 50 Ų | 50 | 57.5 Ų | 57.5 | 41% | 0.413 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -56.5 | -35.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115 | E145 F151 G152 I154 | E145-A149 VanDerWaalsContact O-CB 3.28Å; E145-A149 WeakPolarHBondContact O-CB 3.32Å; E145-A149 PolarHBondContact O-N 2.79Å; A149-F151 PolarHBondContact O-N 2.82Å; A149-F151 VanDerWaalsContact O-N 3.08Å; A149-G152 PolarHBondContact O-N 2.85Å; A149-I154 HydrophobicContact CB-CD1 4.35Å |
| 150 | P | 95.5 | Very high | 93.2 | Very high | 104 Ų | 104 | 60 Ų | 60 | 68% | 0.675 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -62.5 | -15.6 | 177.9 | -26.2 | 36.3 | 0 | 0 | 0 | 115.3 | L146 F148 | L146-P150 WeakPolarHBondContact O-CD 3.23Å; F148-P150 VanDerWaalsContact C-CD 3.4Å |
| 151 | F | 94.8 | Very high | 93.3 | Very high | 40 Ų | 40 | 60.2 Ų | 60.2 | 18% | 0.175 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -94.3 | -11 | -177.9 | -53.4 | -77.5 | 0 | 0 | 0 | 113.6 | M147 F148 A149 F176 E181 A185 K188 L189 | M147-F151 WeakPolarHBondContact O-CE2 3.36Å; F148-F151 WeakPolarHBondContact O-CD2 3.19Å; F148-F151 PolarHBondContact O-N 2.91Å; A149-F151 PolarHBondContact O-N 2.82Å; A149-F151 VanDerWaalsContact O-N 3.08Å; F151-F176 HydrophobicContact CB-CE1 4.29Å; F151-F176 HydrophobicContact CB-CZ 4.09Å; F151-E181 WeakPolarHBondContact O-CB 3.44Å; F151-A185 HydrophobicContact CB-CB 3.73Å; F151-A185 HydrophobicContact CD2-CB 4.22Å; F151-A185 HydrophobicContact CG-CB 3.9Å; F151-K188 HydrophobicContact CD1-CB 4.36Å; F151-K188 HydrophobicContact CD1-CD 4.02Å; F151-K188 HydrophobicContact CE1-CB 3.58Å; F151-K188 HydrophobicContact CE1-CD 3.55Å; F151-K188 HydrophobicContact CE1-CG 4.18Å; F151-K188 HydrophobicContact CZ-CB 4.17Å; F151-L189 HydrophobicContact CD2-CD1 3.97Å; F151-L189 HydrophobicContact CD2-CG 4.43Å; F151-L189 HydrophobicContact CE2-CD1 3.49Å; F151-L189 VanDerWaalsContact CE2-CD1 3.49Å; F151-L189 HydrophobicContact CE2-CD2 3.9Å; F151-L189 HydrophobicContact CE2-CG 3.65Å; F151-L189 HydrophobicContact CZ-CD1 4.15Å; F151-L189 HydrophobicContact CZ-CD2 3.88Å; F151-L189 HydrophobicContact CZ-CG 3.78Å |
| 152 | G | 93.9 | Very high | 93.2 | Very high | 19 Ų | 19 | 60.3 Ų | 60.3 | 20% | 0.196 | 33% | 0.325 | C | S | . | . | S | Bend | trans | 153.9 | -180 | 178 | 0 | 0 | 0 | 0 | 0 | 114 | A149 I154 F176 E181 | A149-G152 PolarHBondContact O-N 2.85Å; G152-I154 PolarHBondContact O-N 2.88Å; G152-F176 WeakPolarHBondContact O-CE1 3.39Å; G152-E181 VanDerWaalsContact CA-OE1 3.24Å; G152-E181 WeakPolarHBondContact CA-OE1 3.33Å |
| 153 | K | 93.6 | Very high | 92.8 | Very high | 132 Ų | 132 | 63 Ų | 63 | 57% | 0.574 | 33% | 0.329 | S | S | * | . | trans | -73.3 | 120.6 | -176.1 | -178 | 168.6 | -172.9 | 162.2 | 0 | 111.6 | F176 D177 E181 | K153-F176 CarbonylContact O-C 3.45Å; K153-F176 WeakPolarHBondContact O-CA 3.05Å; K153-D177 HydrophobicContact CB-CB 3.97Å; K153-D177 HydrophobicContact CG-CB 4.4Å; K153-D177 PolarHBondContact O-N 3.09Å; K153-E181 PolarHBondContact N-OE1 3.47Å | ||
| 154 | I | 94.4 | Very high | 92.5 | Very high | 25 Ų | 25 | 60.3 Ų | 60.3 | 13% | 0.128 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 136 | 176.1 | -64.8 | 170.2 | 0 | 0 | 0 | 110.1 | E145 F148 A149 G152 V174 F176 | E145-I154 HydrophobicContact CB-CD1 4.48Å; E145-I154 HydrophobicContact CG-CB 4.45Å; E145-I154 HydrophobicContact CG-CD1 3.81Å; E145-I154 HydrophobicContact CG-CG2 4.29Å; E145-I154 WeakPolarHBondContact O-CD1 3.34Å; F148-I154 HydrophobicContact CB-CD1 3.69Å; A149-I154 HydrophobicContact CB-CD1 4.35Å; G152-I154 PolarHBondContact O-N 2.88Å; I154-V174 HydrophobicContact CD1-CG1 4.02Å; I154-V174 HydrophobicContact CG1-CG1 3.94Å; I154-V174 HydrophobicContact CG2-CG1 4.24Å; I154-F176 HydrophobicContact CG1-CD1 4.17Å; I154-F176 HydrophobicContact CG1-CE1 3.87Å; I154-F176 HydrophobicContact CG1-CZ 4.42Å |
| 155 | I | 91.7 | Very high | 92.3 | Very high | 49 Ų | 49 | 64.4 Ų | 64.4 | 25% | 0.251 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | -35.8 | 178.3 | -60.3 | -59.5 | 0 | 0 | 0 | 111.2 | R175 D177 | I155-R175 HydrophobicContact CB-CG 4.36Å; I155-R175 PolarHBondContact N-O 3.33Å; I155-D177 HydrophobicContact CD1-CB 4.1Å; I155-D177 HydrophobicContact CG1-CB 4.22Å |
| 156 | T | 90.9 | Very high | 91.9 | Very high | 45 Ų | 45 | 63 Ų | 63 | 28% | 0.276 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 125.2 | 171 | 52.1 | 0 | 0 | 0 | 0 | 110.2 | R175 | T156-R175 PolarHBondContact N-O 2.95Å; T156-R175 PolarHBondContact O-N 3.45Å; T156-R175 WeakPolarHBondContact OG1-CB 3.46Å |
| 157 | S | 93.8 | Very high | 91.7 | Very high | 22 Ų | 22 | 61.2 Ų | 61.2 | 15% | 0.154 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 153.4 | 157.3 | 65.8 | 0 | 0 | 0 | 0 | 110 | S141 E145 F173 | S141-S157 PolarHBondContact OG-OG 3.1Å; S141-S157 VanDerWaalsContact OG-OG 3.05Å; E145-S157 VanDerWaalsContact OE2-CB 3.28Å; E145-S157 WeakPolarHBondContact OE2-CB 3.49Å; E145-S157 PolarHBondContact OE2-OG 3.17Å; S157-F173 CarbonylContact C-O 3.55Å |
| 158 | R | 92.6 | Very high | 91.6 | Very high | 139 Ų | 139 | 59.6 Ų | 59.6 | 53% | 0.525 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.1 | 149.2 | 159 | 62.8 | 178.4 | -171.5 | 176.3 | 3.9 | 111.6 | S141 G172 F173 | S141-R158 WeakPolarHBondContact OG-CA 3.38Å; R158-G172 CarbonylContact O-C 3.48Å; R158-G172 WeakPolarHBondContact O-CA 3.47Å; R158-F173 HydrophobicContact CG-CB 4Å; R158-F173 HydrophobicContact CG-CD2 4.4Å; R158-F173 PolarHBondContact N-O 3.1Å; R158-F173 PolarHBondContact O-N 2.87Å |
| 159 | I | 94 | Very high | 91.5 | Very high | 28 Ų | 28 | 65.2 Ų | 65.2 | 14% | 0.144 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 141.2 | 167.5 | -67.6 | 178.4 | 0 | 0 | 0 | 109.4 | L135 M139 T140 L144 S168 | L135-I159 HydrophobicContact CD1-CD1 4.48Å; L135-I159 HydrophobicContact CD1-CG1 4.34Å; M139-I159 HydrophobicContact CB-CD1 4.02Å; M139-I159 HydrophobicContact CG-CD1 3.95Å; M139-I159 WeakPolarHBondContact O-CD1 3.32Å; T140-I159 VanDerWaalsContact C-CD1 3.44Å; T140-I159 WeakPolarHBondContact O-CD1 3.32Å; L144-I159 HydrophobicContact CB-CD1 4.39Å; L144-I159 HydrophobicContact CD2-CG1 3.86Å; I159-S168 WeakPolarHBondContact CG2-OG 3.37Å |
| 160 | L | 92.3 | Very high | 91.4 | Very high | 75 Ų | 75 | 63.2 Ų | 63.2 | 39% | 0.393 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 109.5 | 175.4 | -178.4 | 65.7 | 0 | 0 | 0 | 109 | K169 V171 | L160-K169 HydrophobicContact CD2-CD 4.08Å; L160-K169 HydrophobicContact CG-CD 3.98Å; L160-K169 HydrophobicContact CG-CG 4.42Å; L160-K169 WeakPolarHBondContact O-CB 3.48Å; L160-K169 WeakPolarHBondContact O-CG 3.39Å; L160-K169 PolarHBondContact O-N 3.2Å; L160-V171 HydrophobicContact CB-CB 4.22Å; L160-V171 HydrophobicContact CB-CG1 4.16Å; L160-V171 WeakPolarHBondContact CB-O 3.26Å; L160-V171 HydrophobicContact CD2-CB 4.4Å; L160-V171 HydrophobicContact CD2-CG1 4.12Å; L160-V171 PolarHBondContact N-O 2.85Å |
| 161 | T | 92.1 | Very high | 91.3 | Very high | 69 Ų | 69 | 58.9 Ų | 58.9 | 42% | 0.423 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 157 | 169.5 | 51.9 | 0 | 0 | 0 | 0 | 111.1 | G166 I167 | T161-G166 WeakPolarHBondContact CB-O 3.41Å; T161-G166 WeakPolarHBondContact CG2-O 3.28Å; T161-I167 CarbonylContact C-O 3.5Å; T161-I167 WeakPolarHBondContact CA-O 3.11Å |
| 162 | D | 88.8 | Confident | 91.3 | Very high | 44 Ų | 44 | 57 Ų | 57 | 24% | 0.235 | 31% | 0.309 | C | S | . | . | trans | -74.4 | 134.2 | 164.2 | 173.6 | 44.6 | 0 | 0 | 0 | 110.1 | A164 T165 G166 I167 K169 | D162-A164 VanDerWaalsContact C-N 3.32Å; D162-A164 PolarHBondContact O-N 3.28Å; D162-T165 WeakPolarHBondContact CB-OG1 3.38Å; D162-T165 WeakPolarHBondContact OD2-CB 3.16Å; D162-T165 WeakPolarHBondContact OD2-CG2 3.46Å; D162-T165 PolarHBondContact OD2-N 3.45Å; D162-T165 PolarHBondContact OD2-OG1 3.38Å; D162-G166 WeakPolarHBondContact O-CA 3.27Å; D162-G166 PolarHBondContact O-N 3.37Å; D162-I167 PolarHBondContact N-O 3.38Å; D162-K169 HydrophobicContact CB-CD 4.29Å; D162-K169 HydrophobicContact CB-CG 4.2Å | ||
| 163 | Q | 84.2 | Confident | 91.4 | Very high | 141 Ų | 141 | 57.9 Ų | 57.9 | 66% | 0.659 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -21.6 | -175.3 | -66.1 | 179.2 | 30.8 | 0 | 0 | 112.9 | ||
| 164 | A | 86.6 | Confident | 91.5 | Very high | 32 Ų | 32 | 51.6 Ų | 51.6 | 26% | 0.264 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -44.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | D162 P279 | D162-A164 VanDerWaalsContact C-N 3.32Å; D162-A164 PolarHBondContact O-N 3.28Å; A164-P279 HydrophobicContact CB-CB 3.85Å; A164-P279 HydrophobicContact CB-CG 3.96Å |
| 165 | T | 89.6 | Confident | 91.5 | Very high | 86 Ų | 86 | 54.4 Ų | 54.4 | 53% | 0.528 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | -14.4 | -171.8 | 59.4 | 0 | 0 | 0 | 0 | 114.2 | D162 I167 | D162-T165 WeakPolarHBondContact CB-OG1 3.38Å; D162-T165 WeakPolarHBondContact OD2-CB 3.16Å; D162-T165 WeakPolarHBondContact OD2-CG2 3.46Å; D162-T165 PolarHBondContact OD2-N 3.45Å; D162-T165 PolarHBondContact OD2-OG1 3.38Å; T165-I167 HydrophobicContact CG2-CD1 4.43Å; T165-I167 PolarHBondContact O-N 2.98Å; T165-I167 PolarHBondContact OG1-N 2.93Å |
| 166 | G | 86.6 | Confident | 91.7 | Very high | 51 Ų | 51 | 52.1 Ų | 52.1 | 53% | 0.526 | 28% | 0.277 | S | S | . | . | trans | 73.1 | -6.7 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | T161 D162 | T161-G166 WeakPolarHBondContact CB-O 3.41Å; T161-G166 WeakPolarHBondContact CG2-O 3.28Å; D162-G166 WeakPolarHBondContact O-CA 3.27Å; D162-G166 PolarHBondContact O-N 3.37Å | ||
| 167 | I | 88 | Confident | 91.7 | Very high | 92 Ų | 92 | 51.5 Ų | 51.5 | 47% | 0.472 | 27% | 0.272 | S | S | . | . | trans | -72 | 137.2 | -172.3 | -60.5 | 170.6 | 0 | 0 | 0 | 110.5 | K137 T161 D162 T165 K169 | K137-I167 HydrophobicContact CD-CG2 4.28Å; T161-I167 CarbonylContact C-O 3.5Å; T161-I167 WeakPolarHBondContact CA-O 3.11Å; D162-I167 PolarHBondContact N-O 3.38Å; T165-I167 HydrophobicContact CG2-CD1 4.43Å; T165-I167 PolarHBondContact O-N 2.98Å; T165-I167 PolarHBondContact OG1-N 2.93Å; I167-K169 PolarHBondContact O-N 3.42Å | ||
| 168 | S | 91.2 | Very high | 91.7 | Very high | 9 Ų | 9 | 56.8 Ų | 56.8 | 6% | 0.063 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 130.9 | 172.3 | 174.1 | 0 | 0 | 0 | 0 | 111.4 | K137 I159 G170 | K137-S168 WeakPolarHBondContact O-CB 3.25Å; I159-S168 WeakPolarHBondContact CG2-OG 3.37Å; S168-G170 PolarHBondContact O-N 3.45Å; S168-G170 PolarHBondContact OG-N 3.33Å |
| 169 | K | 92.1 | Very high | 91.7 | Very high | 117 Ų | 117 | 54.1 Ų | 54.1 | 51% | 0.509 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 9.3 | 177 | -52.8 | -170 | 78.3 | 159.1 | 0 | 112.8 | L160 D162 I167 V171 | L160-K169 HydrophobicContact CD2-CD 4.08Å; L160-K169 HydrophobicContact CG-CD 3.98Å; L160-K169 HydrophobicContact CG-CG 4.42Å; L160-K169 WeakPolarHBondContact O-CB 3.48Å; L160-K169 WeakPolarHBondContact O-CG 3.39Å; L160-K169 PolarHBondContact O-N 3.2Å; D162-K169 HydrophobicContact CB-CD 4.29Å; D162-K169 HydrophobicContact CB-CG 4.2Å; I167-K169 PolarHBondContact O-N 3.42Å; K169-V171 PolarHBondContact O-N 2.88Å |
| 170 | G | 91.9 | Very high | 91.8 | Very high | 8 Ų | 8 | 56.8 Ų | 56.8 | 8% | 0.082 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 68.1 | 17 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114 | N133 G134 L135 S168 | N133-G170 CarbonylContact C-O 3.57Å; N133-G170 PolarHBondContact OD1-O 3.46Å; G134-G170 PolarHBondContact N-O 3.21Å; G134-G170 VanDerWaalsContact N-O 3.09Å; L135-G170 PolarHBondContact N-O 2.93Å; L135-G170 VanDerWaalsContact O-CA 3.26Å; L135-G170 WeakPolarHBondContact O-CA 3.36Å; S168-G170 PolarHBondContact O-N 3.45Å; S168-G170 PolarHBondContact OG-N 3.33Å |
| 171 | V | 94 | Very high | 91.9 | Very high | 13 Ų | 13 | 54.9 Ų | 54.9 | 8% | 0.079 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 132.7 | -173.4 | 168.3 | 0 | 0 | 0 | 0 | 110.1 | Y131 I132 N133 L160 K169 F173 | Y131-V171 HydrophobicContact CD2-CG1 4.08Å; Y131-V171 HydrophobicContact CE2-CG1 3.41Å; Y131-V171 VanDerWaalsContact CE2-CG1 3.41Å; Y131-V171 HydrophobicContact CE2-CG2 4.42Å; I132-V171 CarbonylContact O-C 3.57Å; I132-V171 VanDerWaalsContact O-CA 3.27Å; I132-V171 WeakPolarHBondContact O-CA 3.46Å; N133-V171 HydrophobicContact CB-CG2 4.48Å; N133-V171 WeakPolarHBondContact OD1-CG2 3.3Å; L160-V171 HydrophobicContact CB-CB 4.22Å; L160-V171 HydrophobicContact CB-CG1 4.16Å; L160-V171 WeakPolarHBondContact CB-O 3.26Å; L160-V171 HydrophobicContact CD2-CB 4.4Å; L160-V171 HydrophobicContact CD2-CG1 4.12Å; L160-V171 PolarHBondContact N-O 2.85Å; K169-V171 PolarHBondContact O-N 2.88Å; V171-F173 HydrophobicContact CG1-CE2 4.19Å |
| 172 | G | 95 | Very high | 92.1 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 164.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | I132 R158 | I132-G172 PolarHBondContact N-O 2.93Å; I132-G172 PolarHBondContact O-N 3.23Å; R158-G172 CarbonylContact O-C 3.48Å; R158-G172 WeakPolarHBondContact O-CA 3.47Å |
| 173 | F | 95.7 | Very high | 92.4 | Very high | 38 Ų | 38 | 52.4 Ų | 52.4 | 17% | 0.167 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 131 | 168.9 | -64.8 | -92.4 | 0 | 0 | 0 | 109.5 | L130 Y131 S157 R158 V171 A206 | L130-F173 VanDerWaalsContact O-CA 3.3Å; L130-F173 WeakPolarHBondContact O-CA 3.34Å; Y131-F173 AromaticContact CD2-CE1 3.78Å; Y131-F173 HydrophobicContact CD2-CE1 3.78Å; Y131-F173 AromaticContact CD2-CZ 3.81Å; Y131-F173 HydrophobicContact CD2-CZ 3.81Å; Y131-F173 HydrophobicContact CE2-CZ 4.37Å; S157-F173 CarbonylContact C-O 3.55Å; R158-F173 HydrophobicContact CG-CB 4Å; R158-F173 HydrophobicContact CG-CD2 4.4Å; R158-F173 PolarHBondContact N-O 3.1Å; R158-F173 PolarHBondContact O-N 2.87Å; V171-F173 HydrophobicContact CG1-CE2 4.19Å; F173-A206 HydrophobicContact CD1-CB 4.19Å; F173-A206 HydrophobicContact CE1-CB 4.23Å |
| 174 | V | 96 | Very high | 93 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 124.3 | 174.5 | 176.6 | 0 | 0 | 0 | 0 | 108.1 | L130 I132 L144 F148 I154 F176 | L130-V174 WeakPolarHBondContact CB-O 3.45Å; L130-V174 PolarHBondContact N-O 2.95Å; L130-V174 PolarHBondContact O-N 2.93Å; I132-V174 HydrophobicContact CD1-CB 4.07Å; I132-V174 HydrophobicContact CD1-CG2 3.83Å; L144-V174 HydrophobicContact CD1-CG2 4.21Å; L144-V174 HydrophobicContact CD2-CG2 3.83Å; L144-V174 HydrophobicContact CG-CG2 3.79Å; F148-V174 HydrophobicContact CB-CG1 4.05Å; F148-V174 HydrophobicContact CB-CG2 4.37Å; F148-V174 HydrophobicContact CD1-CB 4.45Å; F148-V174 HydrophobicContact CD1-CG1 4.31Å; F148-V174 HydrophobicContact CD1-CG2 4.44Å; F148-V174 HydrophobicContact CD2-CG2 3.99Å; F148-V174 HydrophobicContact CE2-CG2 4.38Å; F148-V174 HydrophobicContact CG-CB 4.43Å; F148-V174 HydrophobicContact CG-CG1 4.23Å; F148-V174 HydrophobicContact CG-CG2 4.02Å; I154-V174 HydrophobicContact CD1-CG1 4.02Å; I154-V174 HydrophobicContact CG1-CG1 3.94Å; I154-V174 HydrophobicContact CG2-CG1 4.24Å; V174-F176 HydrophobicContact CG1-CD2 4.2Å; V174-F176 HydrophobicContact CG1-CE2 3.87Å; V174-F176 HydrophobicContact CG1-CZ 4.2Å |
| 175 | R | 94.3 | Very high | 93.4 | Very high | 85 Ų | 85 | 47.8 Ų | 47.8 | 32% | 0.321 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 119 | 173.3 | -174.7 | -176.9 | 178.1 | 179.7 | 0.7 | 109.4 | A128 N129 I155 T156 | A128-R175 WeakPolarHBondContact O-CA 3.44Å; N129-R175 HydrophobicContact CB-CG 4.49Å; I155-R175 HydrophobicContact CB-CG 4.36Å; I155-R175 PolarHBondContact N-O 3.33Å; T156-R175 PolarHBondContact N-O 2.95Å; T156-R175 PolarHBondContact O-N 3.45Å; T156-R175 WeakPolarHBondContact OG1-CB 3.46Å |
| 176 | F | 95.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 167 | 171.9 | -76 | -80.3 | 0 | 0 | 0 | 112.2 | A128 L130 F148 F151 G152 K153 I154 V174 E181 A182 A185 | A128-F176 HydrophobicContact CB-CB 4.43Å; A128-F176 PolarHBondContact O-N 2.89Å; L130-F176 HydrophobicContact CD1-CD2 4.06Å; L130-F176 HydrophobicContact CD1-CE2 3.69Å; L130-F176 HydrophobicContact CG-CD2 4.46Å; F148-F176 HydrophobicContact CB-CZ 3.97Å; F148-F176 AromaticContact CD1-CE2 3.89Å; F148-F176 HydrophobicContact CD1-CE2 3.89Å; F148-F176 AromaticContact CD1-CZ 3.87Å; F148-F176 HydrophobicContact CD1-CZ 3.87Å; F148-F176 HydrophobicContact CG-CZ 4.43Å; F148-F176 WeakPolarHBondContact O-CE1 3.26Å; F148-F176 WeakPolarHBondContact O-CZ 3.32Å; F151-F176 HydrophobicContact CB-CE1 4.29Å; F151-F176 HydrophobicContact CB-CZ 4.09Å; G152-F176 WeakPolarHBondContact O-CE1 3.39Å; K153-F176 CarbonylContact O-C 3.45Å; K153-F176 WeakPolarHBondContact O-CA 3.05Å; I154-F176 HydrophobicContact CG1-CD1 4.17Å; I154-F176 HydrophobicContact CG1-CE1 3.87Å; I154-F176 HydrophobicContact CG1-CZ 4.42Å; V174-F176 HydrophobicContact CG1-CD2 4.2Å; V174-F176 HydrophobicContact CG1-CE2 3.87Å; V174-F176 HydrophobicContact CG1-CZ 4.2Å; F176-E181 HydrophobicContact CB-CB 4.03Å; F176-E181 HydrophobicContact CD1-CB 3.84Å; F176-E181 HydrophobicContact CG-CB 3.99Å; F176-A182 HydrophobicContact CB-CB 4.28Å; F176-A182 HydrophobicContact CD2-CB 3.75Å; F176-A182 HydrophobicContact CG-CB 4.35Å; F176-A185 HydrophobicContact CE2-CB 3.64Å; F176-A185 HydrophobicContact CZ-CB 3.82Å |
| 177 | D | 91.6 | Very high | 94.1 | Very high | 32 Ų | 32 | 50 Ų | 50 | 17% | 0.171 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -64 | -52.2 | 170.8 | -170.9 | 82.8 | 0 | 0 | 0 | 108.7 | R119 K153 I155 E181 | R119-D177 VanDerWaalsContact CZ-CG 3.44Å; R119-D177 IonicContact CZ-OD1 3.04Å; R119-D177 IonicContact CZ-OD2 3.29Å; R119-D177 IonicContact NE-OD1 3.58Å; R119-D177 PolarHBondContact NE-OD1 3.47Å; R119-D177 PolarHBondContact NH1-O 3.49Å; R119-D177 IonicContact NH1-OD1 3.92Å; R119-D177 VanDerWaalsContact NH2-C 3.3Å; R119-D177 PolarHBondContact NH2-O 2.81Å; R119-D177 IonicContact NH2-OD1 3.8Å; R119-D177 PolarHBondContact NH2-OD1 3.03Å; R119-D177 IonicContact NH2-OD2 2.64Å; R119-D177 PolarHBondContact NH2-OD2 2.98Å; K153-D177 HydrophobicContact CB-CB 3.97Å; K153-D177 HydrophobicContact CG-CB 4.4Å; K153-D177 PolarHBondContact O-N 3.09Å; I155-D177 HydrophobicContact CD1-CB 4.1Å; I155-D177 HydrophobicContact CG1-CB 4.22Å; D177-E181 WeakPolarHBondContact CB-OE2 3.49Å; D177-E181 PolarHBondContact N-OE2 2.79Å |
| 178 | R | 93.4 | Very high | 94.4 | Very high | 134 Ų | 134 | 52.7 Ų | 52.7 | 51% | 0.506 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -117.2 | 153.2 | -173.7 | -52.5 | -178.7 | -179.1 | -172.6 | -0.5 | 112.3 | M124 A128 E181 A182 | M124-R178 CarbonylContact O-C 3.57Å; M124-R178 WeakPolarHBondContact O-CA 3.4Å; A128-R178 WeakPolarHBondContact CB-O 3.5Å; R178-E181 HydrophobicContact CB-CG 4.12Å; R178-E181 PolarHBondContact N-OE2 3.24Å; R178-E181 PolarHBondContact O-N 3.39Å; R178-A182 PolarHBondContact O-N 3.43Å |
| 179 | R | 93.8 | Very high | 94.5 | Very high | 82 Ų | 82 | 53.1 Ų | 53.1 | 31% | 0.309 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.4 | -43.5 | 175.6 | -178.1 | 174.5 | 174.6 | 73.7 | 15 | 112.2 | M124 E181 A182 E183 F205 | M124-R179 PolarHBondContact O-N 3.33Å; R179-E181 VanDerWaalsContact C-N 3.29Å; R179-E181 PolarHBondContact O-N 3Å; R179-A182 CarbonylContact O-C 3.56Å; R179-A182 WeakPolarHBondContact O-CA 3.28Å; R179-A182 VanDerWaalsContact O-CB 3.31Å; R179-A182 WeakPolarHBondContact O-CB 3.37Å; R179-A182 PolarHBondContact O-N 3.27Å; R179-E183 HydrophobicContact CG-CG 4.37Å; R179-E183 IonicContact CZ-OE1 2.74Å; R179-E183 IonicContact NE-OE1 3.96Å; R179-E183 PolarHBondContact NE-OE1 3.48Å; R179-E183 IonicContact NH2-OE1 2.8Å; R179-E183 PolarHBondContact NH2-OE1 3.35Å; R179-E183 PolarHBondContact O-N 3.3Å; R179-F205 HydrophobicContact CG-CZ 4.5Å; R179-F205 VanDerWaalsContact CZ-CZ 3.43Å; R179-F205 VanDerWaalsContact NH1-CE1 3.27Å |
| 180 | N | 94.6 | Very high | 94.6 | Very high | 85 Ų | 85 | 51.4 Ų | 51.4 | 46% | 0.455 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.8 | -34.9 | -177.4 | -53.7 | 33.2 | 0 | 0 | 0 | 112.2 | A182 E183 N184 | N180-A182 VanDerWaalsContact C-N 3.33Å; N180-E183 PolarHBondContact O-N 3.22Å; N180-N184 PolarHBondContact O-N 3.35Å; N180-N184 PolarHBondContact O-ND2 3.31Å; N180-N184 PolarHBondContact O-OD1 2.96Å |
| 181 | E | 95.5 | Very high | 94.6 | Very high | 34 Ų | 34 | 53.1 Ų | 53.1 | 16% | 0.159 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.6 | -42.2 | 172.8 | -63.5 | 171.7 | 135.3 | 0 | 0 | 111 | F151 G152 K153 F176 D177 R178 R179 N184 A185 | F151-E181 WeakPolarHBondContact O-CB 3.44Å; G152-E181 VanDerWaalsContact CA-OE1 3.24Å; G152-E181 WeakPolarHBondContact CA-OE1 3.33Å; K153-E181 PolarHBondContact N-OE1 3.47Å; F176-E181 HydrophobicContact CB-CB 4.03Å; F176-E181 HydrophobicContact CD1-CB 3.84Å; F176-E181 HydrophobicContact CG-CB 3.99Å; D177-E181 WeakPolarHBondContact CB-OE2 3.49Å; D177-E181 PolarHBondContact N-OE2 2.79Å; R178-E181 HydrophobicContact CB-CG 4.12Å; R178-E181 PolarHBondContact N-OE2 3.24Å; R178-E181 PolarHBondContact O-N 3.39Å; R179-E181 VanDerWaalsContact C-N 3.29Å; R179-E181 PolarHBondContact O-N 3Å; E181-N184 PolarHBondContact O-N 3.08Å; E181-A185 WeakPolarHBondContact O-CB 3.43Å; E181-A185 PolarHBondContact O-N 3.01Å |
| 182 | A | 95.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67.5 | -32.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A128 L130 F176 R178 R179 N180 I186 F205 | A128-A182 HydrophobicContact CB-CB 4.49Å; L130-A182 HydrophobicContact CD1-CB 4.33Å; L130-A182 HydrophobicContact CD2-CB 3.91Å; L130-A182 HydrophobicContact CG-CB 4.11Å; F176-A182 HydrophobicContact CB-CB 4.28Å; F176-A182 HydrophobicContact CD2-CB 3.75Å; F176-A182 HydrophobicContact CG-CB 4.35Å; R178-A182 PolarHBondContact O-N 3.43Å; R179-A182 CarbonylContact O-C 3.56Å; R179-A182 WeakPolarHBondContact O-CA 3.28Å; R179-A182 VanDerWaalsContact O-CB 3.31Å; R179-A182 WeakPolarHBondContact O-CB 3.37Å; R179-A182 PolarHBondContact O-N 3.27Å; N180-A182 VanDerWaalsContact C-N 3.33Å; A182-I186 VanDerWaalsContact O-CG1 3.28Å; A182-I186 WeakPolarHBondContact O-CG1 3.19Å; A182-I186 PolarHBondContact O-N 3.11Å; A182-F205 HydrophobicContact CB-CE1 4.15Å |
| 183 | E | 95.9 | Very high | 94.1 | Very high | 62 Ų | 62 | 58.2 Ų | 58.2 | 29% | 0.29 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -67.3 | -50.4 | 173.5 | -69.2 | 173.9 | 161.8 | 0 | 0 | 110.5 | R179 N180 A185 I186 E187 F205 | R179-E183 HydrophobicContact CG-CG 4.37Å; R179-E183 IonicContact CZ-OE1 2.74Å; R179-E183 IonicContact NE-OE1 3.96Å; R179-E183 PolarHBondContact NE-OE1 3.48Å; R179-E183 IonicContact NH2-OE1 2.8Å; R179-E183 PolarHBondContact NH2-OE1 3.35Å; R179-E183 PolarHBondContact O-N 3.3Å; N180-E183 PolarHBondContact O-N 3.22Å; E183-A185 PolarHBondContact O-N 2.83Å; E183-I186 PolarHBondContact O-N 3.07Å; E183-E187 PolarHBondContact O-N 2.96Å; E183-F205 HydrophobicContact CG-CE2 4.16Å; E183-F205 HydrophobicContact CG-CZ 3.56Å |
| 184 | N | 96 | Very high | 93.4 | Very high | 75 Ų | 75 | 56.7 Ų | 56.7 | 40% | 0.401 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -55.6 | -38.1 | 174.4 | -66.7 | -15.1 | 0 | 0 | 0 | 112.9 | N180 E181 K188 | N180-N184 PolarHBondContact O-N 3.35Å; N180-N184 PolarHBondContact O-ND2 3.31Å; N180-N184 PolarHBondContact O-OD1 2.96Å; E181-N184 PolarHBondContact O-N 3.08Å; N184-K188 PolarHBondContact O-N 2.89Å |
| 185 | A | 96.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -69.7 | -40 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L130 F148 F151 F176 E181 E183 L189 | L130-A185 HydrophobicContact CD1-CB 4Å; F148-A185 HydrophobicContact CD1-CB 4.05Å; F148-A185 HydrophobicContact CE1-CB 4.2Å; F151-A185 HydrophobicContact CB-CB 3.73Å; F151-A185 HydrophobicContact CD2-CB 4.22Å; F151-A185 HydrophobicContact CG-CB 3.9Å; F176-A185 HydrophobicContact CE2-CB 3.64Å; F176-A185 HydrophobicContact CZ-CB 3.82Å; E181-A185 WeakPolarHBondContact O-CB 3.43Å; E181-A185 PolarHBondContact O-N 3.01Å; E183-A185 PolarHBondContact O-N 2.83Å; A185-L189 VanDerWaalsContact O-CB 3.31Å; A185-L189 WeakPolarHBondContact O-CB 3.36Å; A185-L189 PolarHBondContact O-N 3.31Å |
| 186 | I | 95.8 | Very high | 91.8 | Very high | 31 Ų | 31 | 61 Ų | 61 | 16% | 0.159 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.9 | -51.2 | 173.5 | -70.1 | 161.6 | 0 | 0 | 0 | 109.8 | L130 A182 E183 K188 N190 V203 F205 | L130-I186 HydrophobicContact CD1-CG1 4.38Å; L130-I186 HydrophobicContact CD2-CD1 3.55Å; L130-I186 HydrophobicContact CD2-CG1 3.67Å; A182-I186 VanDerWaalsContact O-CG1 3.28Å; A182-I186 WeakPolarHBondContact O-CG1 3.19Å; A182-I186 PolarHBondContact O-N 3.11Å; E183-I186 PolarHBondContact O-N 3.07Å; I186-K188 VanDerWaalsContact C-N 3.26Å; I186-K188 PolarHBondContact O-N 3.3Å; I186-N190 HydrophobicContact CG2-CB 4.32Å; I186-N190 WeakPolarHBondContact O-CB 3.48Å; I186-N190 PolarHBondContact O-N 3.42Å; I186-V203 HydrophobicContact CG1-CG1 3.9Å; I186-F205 HydrophobicContact CD1-CD1 4.36Å; I186-F205 HydrophobicContact CD1-CD2 3.74Å; I186-F205 HydrophobicContact CD1-CE1 4.12Å; I186-F205 HydrophobicContact CD1-CE2 3.44Å; I186-F205 VanDerWaalsContact CD1-CE2 3.44Å; I186-F205 HydrophobicContact CD1-CG 4.18Å; I186-F205 HydrophobicContact CD1-CZ 3.65Å |
| 187 | E | 95.4 | Very high | 91 | Very high | 153 Ų | 153 | 62.4 Ų | 62.4 | 72% | 0.715 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -59.3 | -34.6 | -175 | -71.8 | 179.6 | 178.6 | 0 | 0 | 113.5 | E183 | E183-E187 PolarHBondContact O-N 2.96Å |
| 188 | K | 93.8 | Very high | 90.5 | Very high | 149 Ų | 149 | 67.6 Ų | 67.6 | 65% | 0.648 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -97.5 | -27.1 | -174.4 | -67.3 | 177.5 | 178.1 | 180 | 0 | 114.7 | F151 N184 I186 | F151-K188 HydrophobicContact CD1-CB 4.36Å; F151-K188 HydrophobicContact CD1-CD 4.02Å; F151-K188 HydrophobicContact CE1-CB 3.58Å; F151-K188 HydrophobicContact CE1-CD 3.55Å; F151-K188 HydrophobicContact CE1-CG 4.18Å; F151-K188 HydrophobicContact CZ-CB 4.17Å; N184-K188 PolarHBondContact O-N 2.89Å; I186-K188 VanDerWaalsContact C-N 3.26Å; I186-K188 PolarHBondContact O-N 3.3Å |
| 189 | L | 93.7 | Very high | 90 | Very high | 18 Ų | 18 | 67.4 Ų | 67.4 | 9% | 0.094 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -104.3 | -21.2 | -178.6 | -64.9 | 177.1 | 0 | 0 | 0 | 114.3 | F148 F151 A185 G191 S192 M201 V203 | F148-L189 HydrophobicContact CD1-CD1 3.63Å; F148-L189 HydrophobicContact CD2-CD1 4.04Å; F148-L189 HydrophobicContact CE1-CD1 3.43Å; F148-L189 VanDerWaalsContact CE1-CD1 3.43Å; F148-L189 HydrophobicContact CE2-CD1 3.86Å; F148-L189 HydrophobicContact CG-CD1 3.94Å; F148-L189 HydrophobicContact CZ-CD1 3.54Å; F151-L189 HydrophobicContact CD2-CD1 3.97Å; F151-L189 HydrophobicContact CD2-CG 4.43Å; F151-L189 HydrophobicContact CE2-CD1 3.49Å; F151-L189 VanDerWaalsContact CE2-CD1 3.49Å; F151-L189 HydrophobicContact CE2-CD2 3.9Å; F151-L189 HydrophobicContact CE2-CG 3.65Å; F151-L189 HydrophobicContact CZ-CD1 4.15Å; F151-L189 HydrophobicContact CZ-CD2 3.88Å; F151-L189 HydrophobicContact CZ-CG 3.78Å; A185-L189 VanDerWaalsContact O-CB 3.31Å; A185-L189 WeakPolarHBondContact O-CB 3.36Å; A185-L189 PolarHBondContact O-N 3.31Å; L189-G191 PolarHBondContact O-N 3.36Å; L189-S192 WeakPolarHBondContact O-CB 3.08Å; L189-S192 PolarHBondContact O-N 3Å; L189-S192 PolarHBondContact O-OG 2.81Å; L189-M201 HydrophobicContact CB-SD 4.15Å; L189-M201 WeakPolarHBondContact O-CG 3.46Å; L189-V203 HydrophobicContact CB-CG2 4.02Å |
| 190 | N | 92.8 | Very high | 89.9 | Confident | 80 Ų | 80 | 66 Ų | 66 | 43% | 0.428 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | 119.3 | 179.5 | -176.3 | 53.2 | 0 | 0 | 0 | 110.9 | I186 W202 V203 | I186-N190 HydrophobicContact CG2-CB 4.32Å; I186-N190 WeakPolarHBondContact O-CB 3.48Å; I186-N190 PolarHBondContact O-N 3.42Å; N190-W202 WeakPolarHBondContact OD1-CA 3.31Å; N190-V203 HydrophobicContact CB-CB 4.12Å; N190-V203 PolarHBondContact OD1-N 3.17Å; N190-V203 PolarHBondContact OD1-O 3.39Å |
| 191 | G | 91.5 | Very high | 89.8 | Confident | 44 Ų | 44 | 62 Ų | 62 | 45% | 0.454 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.5 | -6.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | L189 P200 M201 | L189-G191 PolarHBondContact O-N 3.36Å; G191-P200 WeakPolarHBondContact O-CB 3.24Å; G191-M201 PolarHBondContact N-O 2.99Å |
| 192 | S | 90.5 | Very high | 89.7 | Confident | 36 Ų | 36 | 67.6 Ų | 67.6 | 25% | 0.252 | 39% | 0.39 | S | S | . | . | trans | -71.7 | 150.4 | 173.6 | 70.4 | 0 | 0 | 0 | 0 | 111.7 | L189 P200 M201 | L189-S192 WeakPolarHBondContact O-CB 3.08Å; L189-S192 PolarHBondContact O-N 3Å; L189-S192 PolarHBondContact O-OG 2.81Å; S192-P200 CarbonylContact O-C 3.59Å; S192-P200 WeakPolarHBondContact O-CA 3.37Å; S192-M201 WeakPolarHBondContact O-CG 3.48Å; S192-M201 PolarHBondContact O-N 3.14Å; S192-M201 VanDerWaalsContact OG-CE 3.3Å; S192-M201 WeakPolarHBondContact OG-CE 3.34Å | ||
| 193 | V | 88.6 | Confident | 89.7 | Confident | 85 Ų | 85 | 67.7 Ų | 67.7 | 52% | 0.515 | 39% | 0.391 | S | S | . | . | trans | -97.8 | 115.8 | 177.1 | -176.6 | 0 | 0 | 0 | 0 | 109 | S197 P200 | V193-S197 WeakPolarHBondContact CG1-O 3.45Å; V193-P200 HydrophobicContact CG2-CB 4.28Å | ||
| 194 | P | 81.5 | Confident | 89.7 | Confident | 6 Ų | 6 | 70.6 Ų | 70.6 | 4% | 0.039 | 40% | 0.403 | C | S | . | . | trans | -68.8 | 150.9 | 176.3 | 23.8 | -27.2 | 0 | 0 | 0 | 111.3 | P136 M147 G196 S197 M201 | P136-P194 HydrophobicContact CG-CB 4.23Å; P136-P194 HydrophobicContact CG-CG 4.12Å; M147-P194 HydrophobicContact SD-CB 4.34Å; P194-G196 PolarHBondContact O-N 2.87Å; P194-S197 WeakPolarHBondContact O-CB 3.3Å; P194-S197 PolarHBondContact O-N 3.4Å; P194-M201 HydrophobicContact CB-CE 3.63Å; P194-M201 HydrophobicContact CG-CE 3.78Å | ||
| 195 | A | 80.7 | Confident | 89.6 | Confident | 98 Ų | 98 | 70.3 Ų | 70.3 | 81% | 0.81 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | 128.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | P136 | P136-A195 WeakPolarHBondContact CG-O 3.4Š|
| 196 | G | 76 | Confident | 89.5 | Confident | 78 Ų | 78 | 71.3 Ų | 71.3 | 80% | 0.804 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.4 | 3.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | P194 | P194-G196 PolarHBondContact O-N 2.87Š|
| 197 | S | 78.4 | Confident | 89 | Confident | 29 Ų | 29 | 75.8 Ų | 75.8 | 20% | 0.203 | 43% | 0.431 | C | S | . | . | trans | -105.5 | 151.6 | 167.3 | -171 | 0 | 0 | 0 | 0 | 111.6 | V193 P194 E199 | V193-S197 WeakPolarHBondContact CG1-O 3.45Å; P194-S197 WeakPolarHBondContact O-CB 3.3Å; P194-S197 PolarHBondContact O-N 3.4Å; S197-E199 PolarHBondContact OG-N 2.82Å; S197-E199 PolarHBondContact OG-O 2.78Å | ||
| 198 | T | 80.8 | Confident | 87.9 | Confident | 141 Ų | 141 | 73.3 Ų | 73.3 | 87% | 0.865 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -97.8 | -15.9 | 161.4 | 48.5 | 0 | 0 | 0 | 0 | 112.4 | ||
| 199 | E | 83.8 | Confident | 86.4 | Confident | 129 Ų | 129 | 70.9 Ų | 70.9 | 60% | 0.603 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -97.5 | 141 | -179.5 | -63.4 | -174.8 | 168.6 | 0 | 0 | 111.2 | S197 | S197-E199 PolarHBondContact OG-N 2.82Å; S197-E199 PolarHBondContact OG-O 2.78Å |
| 200 | P | 90.5 | Very high | 84.6 | Confident | 53 Ų | 53 | 73.7 Ų | 73.7 | 34% | 0.344 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 143.1 | 175.4 | 30.7 | -35 | 0 | 0 | 0 | 111.3 | G191 S192 V193 | G191-P200 WeakPolarHBondContact O-CB 3.24Å; S192-P200 CarbonylContact O-C 3.59Å; S192-P200 WeakPolarHBondContact O-CA 3.37Å; V193-P200 HydrophobicContact CG2-CB 4.28Å |
| 201 | M | 92.6 | Very high | 82.5 | Confident | 1 Ų | 1 | 71.9 Ų | 71.9 | 1% | 0.005 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -78.1 | 141.8 | 174.9 | 79.5 | -178.5 | 74.7 | 0 | 0 | 111.4 | I132 N133 M147 L189 G191 S192 P194 V203 | I132-M201 HydrophobicContact CG2-CB 4.39Å; I132-M201 HydrophobicContact CG2-SD 4.42Å; N133-M201 CarbonylContact O-C 3.27Å; N133-M201 WeakPolarHBondContact O-CA 3.37Å; N133-M201 WeakPolarHBondContact O-CB 3.43Å; M147-M201 HydrophobicContact CE-CE 3.59Å; M147-M201 HydrophobicContact CE-SD 3.76Å; M147-M201 HydrophobicContact SD-CE 3.71Å; L189-M201 HydrophobicContact CB-SD 4.15Å; L189-M201 WeakPolarHBondContact O-CG 3.46Å; G191-M201 PolarHBondContact N-O 2.99Å; S192-M201 WeakPolarHBondContact O-CG 3.48Å; S192-M201 PolarHBondContact O-N 3.14Å; S192-M201 VanDerWaalsContact OG-CE 3.3Å; S192-M201 WeakPolarHBondContact OG-CE 3.34Å; P194-M201 HydrophobicContact CB-CE 3.63Å; P194-M201 HydrophobicContact CG-CE 3.78Å; M201-V203 HydrophobicContact CG-CG2 3.91Å; M201-V203 HydrophobicContact SD-CG2 3.93Å |
| 202 | W | 93.4 | Very high | 80.1 | Confident | 151 Ų | 151 | 71.4 Ų | 71.4 | 57% | 0.572 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 118.8 | 170 | -67.8 | -51.3 | 0 | 0 | 0 | 110.6 | I132 N133 N190 | I132-W202 CarbonylContact C-O 3.55Å; I132-W202 WeakPolarHBondContact CA-O 3.47Å; N133-W202 PolarHBondContact N-O 3.43Å; N133-W202 PolarHBondContact O-N 3.34Å; N190-W202 WeakPolarHBondContact OD1-CA 3.31Å |
| 203 | V | 96 | Very high | 78 | Confident | 2 Ų | 2 | 74 Ų | 74 | 1% | 0.012 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 125 | 180 | -170.2 | 0 | 0 | 0 | 0 | 108.7 | L130 I132 F148 I186 L189 N190 M201 | L130-V203 HydrophobicContact CB-CG1 4.41Å; L130-V203 HydrophobicContact CD1-CG1 3.79Å; I132-V203 HydrophobicContact CG1-CG1 4.41Å; I132-V203 HydrophobicContact CG1-CG2 4.49Å; I132-V203 HydrophobicContact CG2-CG2 4.32Å; F148-V203 HydrophobicContact CE1-CG1 3.98Å; F148-V203 HydrophobicContact CZ-CG1 4.11Å; F148-V203 HydrophobicContact CZ-CG2 3.99Å; I186-V203 HydrophobicContact CG1-CG1 3.9Å; L189-V203 HydrophobicContact CB-CG2 4.02Å; N190-V203 HydrophobicContact CB-CB 4.12Å; N190-V203 PolarHBondContact OD1-N 3.17Å; N190-V203 PolarHBondContact OD1-O 3.39Å; M201-V203 HydrophobicContact CG-CG2 3.91Å; M201-V203 HydrophobicContact SD-CG2 3.93Å |
| 204 | K | 95 | Very high | 75.8 | Confident | 124 Ų | 124 | 75 Ų | 75 | 54% | 0.539 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 168.3 | 177.4 | 65.2 | -179.6 | 179.5 | -171.8 | 0 | 111.7 | L130 Y131 A206 | L130-K204 CarbonylContact C-O 3.53Å; L130-K204 WeakPolarHBondContact CA-O 3.32Å; Y131-K204 HydrophobicContact CD1-CD 4.38Å; Y131-K204 HydrophobicContact CD1-CG 4.03Å; Y131-K204 PolarHBondContact N-O 3.45Å; Y131-K204 PolarHBondContact O-N 3.21Å; K204-A206 PolarHBondContact O-N 3.19Å |
| 205 | F | 95.3 | Very high | 73.9 | Confident | 69 Ų | 69 | 82.9 Ų | 82.9 | 30% | 0.303 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 129.8 | 168.7 | -71.7 | -67.4 | 0 | 0 | 0 | 112 | G127 L130 R179 A182 E183 I186 | G127-F205 WeakPolarHBondContact O-CD1 3.21Å; G127-F205 WeakPolarHBondContact O-CE1 3.3Å; L130-F205 HydrophobicContact CD2-CD1 4.09Å; L130-F205 HydrophobicContact CD2-CE1 4.17Å; R179-F205 HydrophobicContact CG-CZ 4.5Å; R179-F205 VanDerWaalsContact CZ-CZ 3.43Å; R179-F205 VanDerWaalsContact NH1-CE1 3.27Å; A182-F205 HydrophobicContact CB-CE1 4.15Å; E183-F205 HydrophobicContact CG-CE2 4.16Å; E183-F205 HydrophobicContact CG-CZ 3.56Å; I186-F205 HydrophobicContact CD1-CD1 4.36Å; I186-F205 HydrophobicContact CD1-CD2 3.74Å; I186-F205 HydrophobicContact CD1-CE1 4.12Å; I186-F205 HydrophobicContact CD1-CE2 3.44Å; I186-F205 VanDerWaalsContact CD1-CE2 3.44Å; I186-F205 HydrophobicContact CD1-CG 4.18Å; I186-F205 HydrophobicContact CD1-CZ 3.65Å |
| 206 | A | 92.4 | Very high | 72.2 | Confident | 20 Ų | 20 | 81.8 Ų | 81.8 | 17% | 0.165 | 47% | 0.473 | C | S | . | . | P | Polyproline II helix | trans | -73 | 136.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | N129 F173 K204 N208 | N129-A206 HydrophobicContact CB-CB 4.31Å; N129-A206 WeakPolarHBondContact ND2-CB 3.49Å; N129-A206 WeakPolarHBondContact O-CB 3.19Å; N129-A206 PolarHBondContact O-N 3.3Å; F173-A206 HydrophobicContact CD1-CB 4.19Å; F173-A206 HydrophobicContact CE1-CB 4.23Å; K204-A206 PolarHBondContact O-N 3.19Å; A206-N208 PolarHBondContact O-N 3.37Å |
| 207 | N | 86.6 | Confident | 70.6 | Confident | 126 Ų | 126 | 84.6 Ų | 84.6 | 67% | 0.674 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -65.1 | 133.7 | 168.9 | -176.3 | 32.5 | 0 | 0 | 0 | 109.9 | P209 | N207-P209 WeakPolarHBondContact O-CD 3.47Š|
| 208 | N | 72.2 | Confident | 69 | Low | 101 Ų | 101 | 88 Ų | 88 | 54% | 0.54 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -74 | 118.1 | 178.7 | -166.9 | 6.2 | 0 | 0 | 0 | 109.3 | A206 T210 A211 | A206-N208 PolarHBondContact O-N 3.37Å; N208-T210 PolarHBondContact ND2-OG1 3.3Å; N208-T210 PolarHBondContact O-N 2.61Å; N208-T210 VanDerWaalsContact O-N 3.11Å; N208-T210 PolarHBondContact OD1-OG1 3.4Å; N208-A211 WeakPolarHBondContact O-CB 3.46Å; N208-A211 PolarHBondContact O-N 2.86Å |
| 209 | P | 62.2 | Low | 67.2 | Low | 98 Ų | 98 | 85.3 Ų | 85.3 | 64% | 0.636 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -58.4 | -30.4 | -172.6 | 20 | -33.1 | 0 | 0 | 0 | 113.7 | N207 A211 G212 | N207-P209 WeakPolarHBondContact O-CD 3.47Å; P209-A211 VanDerWaalsContact C-N 3.26Å; P209-A211 PolarHBondContact O-N 3.08Å; P209-G212 PolarHBondContact O-N 2.91Å; P209-G212 VanDerWaalsContact O-N 3.08Å |
| 210 | T | 55.8 | Low | 65.4 | Low | 76 Ų | 76 | 86.3 Ų | 86.3 | 47% | 0.466 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.1 | -26.4 | 175.5 | 34.7 | 0 | 0 | 0 | 0 | 114.1 | L83 N208 G212 | L83-T210 HydrophobicContact CD2-CG2 4.5Å; N208-T210 PolarHBondContact ND2-OG1 3.3Å; N208-T210 PolarHBondContact O-N 2.61Å; N208-T210 VanDerWaalsContact O-N 3.11Å; N208-T210 PolarHBondContact OD1-OG1 3.4Å; T210-G212 VanDerWaalsContact C-N 3.34Å |
| 211 | A | 48.5 | Very low | 63.2 | Low | 42 Ų | 42 | 87.7 Ų | 87.7 | 35% | 0.347 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -75.5 | -23.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | N208 P209 | N208-A211 WeakPolarHBondContact O-CB 3.46Å; N208-A211 PolarHBondContact O-N 2.86Å; P209-A211 VanDerWaalsContact C-N 3.26Å; P209-A211 PolarHBondContact O-N 3.08Å |
| 212 | G | 42.1 | Very low | 60.9 | Low | 35 Ų | 35 | 93.2 Ų | 93.2 | 36% | 0.361 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -68.2 | -41.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | P209 T210 Q214 K215 A216 | P209-G212 PolarHBondContact O-N 2.91Å; P209-G212 VanDerWaalsContact O-N 3.08Å; T210-G212 VanDerWaalsContact C-N 3.34Å; G212-Q214 VanDerWaalsContact C-N 3.28Å; G212-Q214 PolarHBondContact O-N 2.96Å; G212-K215 PolarHBondContact O-N 3.48Å; G212-A216 PolarHBondContact O-N 3.4Å |
| 213 | S | 44.9 | Very low | 58.5 | Low | 89 Ų | 89 | 90.6 Ų | 90.6 | 62% | 0.622 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -64.8 | -28.1 | -177.2 | -55.2 | 0 | 0 | 0 | 0 | 113.7 | ||
| 214 | Q | 43.5 | Very low | 56.1 | Low | 108 Ų | 108 | 95.3 Ų | 95.3 | 51% | 0.505 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -80.7 | -40.1 | 178 | -71 | -178.5 | -17.6 | 0 | 0 | 112.2 | G212 A216 N217 V218 | G212-Q214 VanDerWaalsContact C-N 3.28Å; G212-Q214 PolarHBondContact O-N 2.96Å; Q214-A216 VanDerWaalsContact C-N 3.27Å; Q214-A216 PolarHBondContact O-N 2.89Å; Q214-N217 PolarHBondContact O-N 2.68Å; Q214-V218 PolarHBondContact O-N 3.07Å |
| 215 | K | 41.3 | Very low | 53.6 | Low | 170 Ų | 170 | 94.5 Ų | 94.5 | 74% | 0.739 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -66.4 | -26 | -180 | -72 | -167.9 | 175.4 | -173.1 | 0 | 113.7 | G212 N217 | G212-K215 PolarHBondContact O-N 3.48Å; K215-N217 VanDerWaalsContact C-N 3.31Å; K215-N217 PolarHBondContact O-N 3.39Å |
| 216 | A | 45 | Very low | 51.1 | Low | 76 Ų | 76 | 97.3 Ų | 97.3 | 63% | 0.628 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -68.2 | -26.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | G212 Q214 | G212-A216 PolarHBondContact O-N 3.4Å; Q214-A216 VanDerWaalsContact C-N 3.27Å; Q214-A216 PolarHBondContact O-N 2.89Å |
| 217 | N | 42.5 | Very low | 48.9 | Very low | 137 Ų | 137 | 104.9 Ų | 104.9 | 73% | 0.733 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -99.1 | -16.9 | -175.2 | -74.9 | 2 | 0 | 0 | 0 | 114.3 | Q214 K215 | Q214-N217 PolarHBondContact O-N 2.68Å; K215-N217 VanDerWaalsContact C-N 3.31Å; K215-N217 PolarHBondContact O-N 3.39Å |
| 218 | V | 44.9 | Very low | 46.9 | Very low | 101 Ų | 101 | 105.5 Ų | 105.5 | 61% | 0.612 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -90.1 | -24.8 | -178.3 | 179.9 | 0 | 0 | 0 | 0 | 112.5 | Q214 L220 A221 | Q214-V218 PolarHBondContact O-N 3.07Å; V218-L220 PolarHBondContact O-N 3.1Å; V218-L220 VanDerWaalsContact O-N 3.1Å; V218-A221 PolarHBondContact O-N 3.46Å |
| 219 | A | 42.9 | Very low | 45.4 | Very low | 83 Ų | 83 | 106.3 Ų | 106.3 | 69% | 0.686 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | 2.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 220 | L | 45.4 | Very low | 44.4 | Very low | 150 Ų | 150 | 109.8 Ų | 109.8 | 79% | 0.785 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.9 | -5.3 | 178.3 | -159.7 | 65.7 | 0 | 0 | 0 | 113.3 | V218 | V218-L220 PolarHBondContact O-N 3.1Å; V218-L220 VanDerWaalsContact O-N 3.1Å |
| 221 | A | 45.3 | Very low | 43.8 | Very low | 83 Ų | 83 | 110.5 Ų | 110.5 | 69% | 0.686 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -98.4 | -1.8 | -168.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | V218 | V218-A221 PolarHBondContact O-N 3.46Š|
| 222 | T | 43.2 | Very low | 43.6 | Very low | 116 Ų | 116 | 116 Ų | 116 | 71% | 0.712 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -128.8 | 11.2 | -166.1 | 45.3 | 0 | 0 | 0 | 0 | 115.7 | ||
| 223 | A | 44.2 | Very low | 43.7 | Very low | 97 Ų | 97 | 121.1 Ų | 121.1 | 80% | 0.802 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -107.7 | 9.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 224 | A | 44.6 | Very low | 43.6 | Very low | 101 Ų | 101 | 123.7 Ų | 123.7 | 84% | 0.835 | 75% | 0.751 | S | S | * | * | trans | -114.2 | 16.9 | -172 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 225 | S | 42.2 | Very low | 43.8 | Very low | 107 Ų | 107 | 122 Ų | 122 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | trans | -113.9 | 30.4 | -166.6 | -54.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 226 | T | 43.8 | Very low | 43.9 | Very low | 128 Ų | 128 | 122.7 Ų | 122.7 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | trans | -147.3 | 93 | 172 | 51.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 227 | L | 45.1 | Very low | 43.8 | Very low | 179 Ų | 179 | 123.3 Ų | 123.3 | 94% | 0.937 | 77% | 0.767 | S | S | * | * | trans | -168.9 | 127.4 | 146.6 | -103 | 162.3 | 0 | 0 | 0 | 108.6 | ||||
| 228 | V | 45 | Very low | 44 | Very low | 138 Ų | 138 | 127.1 Ų | 127.1 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | trans | -89.7 | 142.7 | -167.4 | 176.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 229 | P | 40.3 | Very low | 43.8 | Very low | 118 Ų | 118 | 132.2 Ų | 132.2 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | trans | -90.6 | 161.6 | -174.2 | 36.5 | -36.3 | 0 | 0 | 0 | 113.5 | ||||
| 230 | L | 42.9 | Very low | 43.9 | Very low | 171 Ų | 171 | 135.7 Ų | 135.7 | 90% | 0.895 | 78% | 0.779 | S | S | * | * | trans | -142.3 | 137.4 | 168.9 | -173.3 | 64.2 | 0 | 0 | 0 | 111.6 | ||||
| 231 | A | 42.5 | Very low | 43.9 | Very low | 92 Ų | 92 | 136.8 Ų | 136.8 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | trans | 67.6 | 145.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 232 | L | 44.7 | Very low | 43.5 | Very low | 157 Ų | 157 | 136.2 Ų | 136.2 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | cis | -163.5 | 129.7 | -21.3 | 179 | 63.7 | 0 | 0 | 0 | 110.2 | ||||
| 233 | L | 43.7 | Very low | 43.5 | Very low | 143 Ų | 143 | 136.9 Ų | 136.9 | 75% | 0.749 | 79% | 0.789 | S | S | * | * | trans | 42.7 | 107.6 | 146.6 | -153.9 | 75 | 0 | 0 | 0 | 122.5 | ||||
| 234 | N | 42.8 | Very low | 43.7 | Very low | 142 Ų | 142 | 139.8 Ų | 139.8 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | -171.6 | 124.1 | 116 | -108.6 | 5.7 | 0 | 0 | 0 | 108.5 | |||||
| 235 | A | 46.7 | Very low | 43.6 | Very low | 72 Ų | 72 | 142.1 Ų | 142.1 | 60% | 0.595 | 78% | 0.783 | S | S | * | * | 63.8 | 117.1 | 72.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 236 | Q | 45.2 | Very low | 43.8 | Very low | 185 Ų | 185 | 144.5 Ų | 144.5 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | cis | -146.8 | 150.1 | 9.8 | -89.2 | 150.3 | -49.1 | 0 | 0 | 112.8 | ||||
| 237 | A | 42.1 | Very low | 43.5 | Very low | 89 Ų | 89 | 145.7 Ų | 145.7 | 74% | 0.736 | 78% | 0.783 | S | S | * | * | trans | 9.2 | 146.7 | 138.4 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 238 | R | 45.8 | Very low | 43.2 | Very low | 217 Ų | 217 | 140.5 Ų | 140.5 | 82% | 0.819 | 77% | 0.766 | S | S | * | * | cis | -160.7 | 156.3 | 40.5 | -71.8 | 178.5 | 173.9 | -174 | -0.9 | 112.3 | ||||
| 239 | R | 41.9 | Very low | 43.1 | Very low | 208 Ų | 208 | 140.8 Ų | 140.8 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | trans | 41.7 | 140.5 | 133.3 | -59.7 | -179.2 | -177 | -173 | -0.5 | 118.7 | ||||
| 240 | F | 44.2 | Very low | 43.4 | Very low | 156 Ų | 156 | 139.2 Ų | 139.2 | 68% | 0.684 | 77% | 0.765 | S | S | * | * | cis | -169.8 | 168.3 | 27.2 | -139 | -139.6 | 0 | 0 | 0 | 109.5 | ||||
| 241 | Q | 45.5 | Very low | 43.4 | Very low | 174 Ų | 174 | 137.2 Ų | 137.2 | 81% | 0.813 | 76% | 0.755 | S | S | * | * | trans | 26.9 | 142.4 | 154.4 | -64.7 | 171.1 | -21.4 | 0 | 0 | 120.7 | ||||
| 242 | G | 36.8 | Very low | 43.3 | Very low | 71 Ų | 71 | 142.4 Ų | 142.4 | 73% | 0.732 | 76% | 0.755 | S | S | * | * | cis | 150.5 | 153.2 | 19.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 243 | P | 43.9 | Very low | 43.3 | Very low | 130 Ų | 130 | 142.9 Ų | 142.9 | 84% | 0.844 | 75% | 0.751 | S | S | * | * | trans | -106.3 | 138.8 | -156.6 | 37.2 | -32.2 | 0 | 0 | 0 | 116.5 | ||||
| 244 | I | 47.6 | Very low | 43.1 | Very low | 158 Ų | 158 | 146.3 Ų | 146.3 | 81% | 0.81 | 75% | 0.754 | S | S | * | * | trans | -150.8 | 156.3 | 169.6 | -62.3 | -176 | 0 | 0 | 0 | 108.4 | ||||
| 245 | H | 43.5 | Very low | 42.9 | Very low | 150 Ų | 150 | 149.7 Ų | 149.7 | 69% | 0.694 | 76% | 0.758 | S | S | * | * | cis | -179.2 | 162.6 | -44.1 | -156 | -74.7 | 0 | 0 | 0 | 108.1 | ||||
| 246 | H | 45 | Very low | 42.5 | Very low | 156 Ų | 156 | 152.5 Ų | 152.5 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | trans | 53.4 | 160.2 | 161.6 | 35.8 | -121.4 | 0 | 0 | 0 | 120.1 | ||||
| 247 | N | 39 | Very low | 42.9 | Very low | 153 Ų | 153 | 149.2 Ų | 149.2 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | cis | -163.6 | 166.3 | -22.1 | -178.8 | 31.7 | 0 | 0 | 0 | 109.7 | ||||
| 248 | A | 38.9 | Very low | 42.8 | Very low | 70 Ų | 70 | 153.7 Ų | 153.7 | 58% | 0.579 | 77% | 0.773 | S | S | * | * | trans | -12.8 | 148.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 249 | T | 42.7 | Very low | 42.5 | Very low | 145 Ų | 145 | 147.1 Ų | 147.1 | 89% | 0.89 | 77% | 0.773 | S | S | * | * | 174.1 | 162.1 | 124.2 | 29.5 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 250 | A | 46 | Very low | 42.4 | Very low | 84 Ų | 84 | 142 Ų | 142 | 69% | 0.694 | 77% | 0.774 | S | S | * | * | cis | 172.1 | 160.6 | -28.8 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 251 | N | 42.4 | Very low | 42.8 | Very low | 129 Ų | 129 | 139.8 Ų | 139.8 | 69% | 0.69 | 78% | 0.776 | S | S | * | * | trans | 72.7 | 124.8 | 172.5 | -76.1 | -16.9 | 0 | 0 | 0 | 118.5 | ||||
| 252 | R | 41.6 | Very low | 42.6 | Very low | 202 Ų | 202 | 138 Ų | 138 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | 68.2 | 136.6 | 81.7 | -64 | 179.3 | -176.6 | -157.6 | 0.2 | 111.5 | |||||
| 253 | F | 45.1 | Very low | 42.8 | Very low | 167 Ų | 167 | 140.7 Ų | 140.7 | 73% | 0.732 | 77% | 0.769 | S | S | * | * | cis | -146.6 | 144.1 | 36.2 | -65.5 | -99.5 | 0 | 0 | 0 | 110.4 | ||||
| 254 | R | 38.2 | Very low | 42.5 | Very low | 214 Ų | 214 | 141.5 Ų | 141.5 | 81% | 0.808 | 77% | 0.765 | S | S | * | * | 49.1 | 118.1 | 86.3 | -107.9 | -169 | -175.4 | -174.1 | 1.7 | 116.7 | |||||
| 255 | Y | 38.1 | Very low | 41.8 | Very low | 214 Ų | 214 | 140.3 Ų | 140.3 | 84% | 0.839 | 77% | 0.765 | S | S | * | * | -175.4 | 170 | 116.2 | -99.8 | -69.2 | 0 | 0 | 0 | 112.4 | |||||
| 256 | T | 39.2 | Very low | 41.5 | Very low | 130 Ų | 130 | 136.4 Ų | 136.4 | 80% | 0.798 | 77% | 0.766 | S | S | * | * | trans | -134.9 | -173.4 | -157.1 | 1.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 257 | P | 52.4 | Low | 41 | Very low | 116 Ų | 116 | 134.2 Ų | 134.2 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | trans | -108.5 | 175.3 | -140.9 | 44.6 | -37.2 | 0 | 0 | 0 | 116.3 | ||||
| 258 | L | 42 | Very low | 41 | Very low | 184 Ų | 184 | 133.9 Ų | 133.9 | 96% | 0.963 | 77% | 0.766 | S | S | * | * | trans | -164.9 | 152.2 | 157.1 | -148.5 | 64.8 | 0 | 0 | 0 | 113.2 | ||||
| 259 | G | 38.1 | Very low | 40.9 | Very low | 79 Ų | 79 | 138 Ų | 138 | 81% | 0.814 | 78% | 0.777 | S | S | * | * | trans | 127.9 | 101.8 | 157.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 260 | A | 40.7 | Very low | 40.5 | Very low | 99 Ų | 99 | 135.9 Ų | 135.9 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | -135 | -169.8 | 162.5 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 261 | P | 53.1 | Low | 39.7 | Very low | 111 Ų | 111 | 135.9 Ų | 135.9 | 72% | 0.721 | 77% | 0.769 | S | S | * | * | cis | -127 | -164.3 | -20.4 | 38.9 | -19.8 | 0 | 0 | 0 | 112 | ||||
| 262 | D | 39.6 | Very low | 39 | Very low | 136 Ų | 136 | 134.6 Ų | 134.6 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | 136.7 | 149.1 | 155 | -76.6 | -10.5 | 0 | 0 | 0 | 112 | ||||
| 263 | L | 41.6 | Very low | 38.5 | Very low | 128 Ų | 128 | 129.1 Ų | 129.1 | 67% | 0.67 | 77% | 0.774 | S | S | * | * | cis | -162.4 | 146.1 | -17.5 | -103.6 | 162.2 | 0 | 0 | 0 | 107.1 | ||||
| 264 | L | 38.5 | Very low | 37.9 | Very low | 146 Ų | 146 | 125.2 Ų | 125.2 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | trans | 44.3 | 137.1 | 151.6 | -47.4 | 168.9 | 0 | 0 | 0 | 119.9 | ||||
| 265 | T | 31.4 | Very low | 37.7 | Very low | 133 Ų | 133 | 119.9 Ų | 119.9 | 82% | 0.816 | 77% | 0.768 | S | S | * | * | 173.9 | 149.5 | 61.8 | -43.9 | 0 | 0 | 0 | 0 | 110 | |||||
| 266 | G | 37.4 | Very low | 37.7 | Very low | 69 Ų | 69 | 116.6 Ų | 116.6 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | trans | 68.6 | 101.4 | 153.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 267 | S | 35.7 | Very low | 37.4 | Very low | 110 Ų | 110 | 115.2 Ų | 115.2 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | 60.2 | 109.2 | 73.6 | -165.7 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 268 | L | 38.5 | Very low | 37.1 | Very low | 145 Ų | 145 | 111.8 Ų | 111.8 | 76% | 0.759 | 74% | 0.737 | S | S | * | * | 165.9 | 129.1 | 123 | -89.2 | 167.5 | 0 | 0 | 0 | 112.3 | |||||
| 269 | L | 37.5 | Very low | 37 | Very low | 156 Ų | 156 | 106.8 Ų | 106.8 | 82% | 0.817 | 72% | 0.716 | S | S | * | * | trans | 64.2 | 160.7 | 151.2 | -56.7 | 164.4 | 0 | 0 | 0 | 117.8 | ||||
| 270 | S | 32.7 | Very low | 37 | Very low | 101 Ų | 101 | 104.7 Ų | 104.7 | 71% | 0.706 | 69% | 0.69 | S | S | * | * | cis | -168.3 | 143 | -33.8 | -178.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 271 | A | 30.7 | Very low | 36.8 | Very low | 85 Ų | 85 | 103.2 Ų | 103.2 | 70% | 0.702 | 67% | 0.674 | S | S | * | * | trans | 48.5 | 131.9 | 154.4 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 272 | A | 27.5 | Very low | 36.1 | Very low | 101 Ų | 101 | 104.1 Ų | 104.1 | 84% | 0.835 | 68% | 0.683 | S | S | * | * | trans | 63.5 | 145.2 | 135.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 273 | A | 29.7 | Very low | 36.4 | Very low | 88 Ų | 88 | 100.7 Ų | 100.7 | 73% | 0.727 | 67% | 0.67 | S | S | * | * | cis | -169.5 | 171.7 | -12.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 274 | A | 32.4 | Very low | 36.7 | Very low | 84 Ų | 84 | 98.9 Ų | 98.9 | 69% | 0.694 | 66% | 0.664 | S | S | * | * | trans | 67.7 | 117.6 | 159.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 275 | S | 34.4 | Very low | 37.8 | Very low | 102 Ų | 102 | 95.1 Ų | 95.1 | 71% | 0.713 | 64% | 0.642 | S | S | * | * | 88.3 | 140.4 | 96.5 | 79.1 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 276 | L | 38.8 | Very low | 39.9 | Very low | 145 Ų | 145 | 89.1 Ų | 89.1 | 76% | 0.759 | 61% | 0.607 | S | S | * | * | cis | -145.3 | 133 | 8.8 | -77.6 | 104.2 | 0 | 0 | 0 | 108.5 | ||||
| 277 | T | 32.8 | Very low | 42.3 | Very low | 102 Ų | 102 | 87.5 Ų | 87.5 | 63% | 0.626 | 58% | 0.58 | S | S | * | * | 46.1 | 104 | 92 | 54.7 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 278 | A | 46.5 | Very low | 45 | Very low | 44 Ų | 44 | 84 Ų | 84 | 36% | 0.364 | 56% | 0.555 | S | S | . | * | trans | -160.8 | 149 | 157.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q285 F287 | A278-Q285 PolarHBondContact O-OE1 3.36Å; A278-F287 HydrophobicContact CB-CE1 4.07Å | ||
| 279 | P | 40.1 | Very low | 47.6 | Very low | 79 Ų | 79 | 77 Ų | 77 | 51% | 0.513 | 52% | 0.518 | S | S | . | . | trans | -122.7 | 145.3 | -134.1 | 39 | -28.4 | 0 | 0 | 0 | 120.7 | A164 | A164-P279 HydrophobicContact CB-CB 3.85Å; A164-P279 HydrophobicContact CB-CG 3.96Å | ||
| 280 | A | 37.3 | Very low | 50.2 | Low | 34 Ų | 34 | 72.3 Ų | 72.3 | 28% | 0.281 | 49% | 0.491 | S | S | . | . | trans | 19.8 | 103.4 | 145.2 | 0 | 0 | 0 | 0 | 0 | 120.9 | Q285 | A280-Q285 HydrophobicContact CB-CG 3.97Š| ||
| 281 | S | 36.3 | Very low | 53.1 | Low | 68 Ų | 68 | 67.5 Ų | 67.5 | 48% | 0.476 | 46% | 0.458 | S | S | . | . | S | Bend | -80.5 | 157.2 | 119 | 70.7 | 0 | 0 | 0 | 0 | 108.8 | S283 | S281-S283 PolarHBondContact O-N 3.49Å; S281-S283 PolarHBondContact O-OG 2.74Å | |
| 282 | S | 38.9 | Very low | 56.1 | Low | 131 Ų | 131 | 68.4 Ų | 68.4 | 92% | 0.916 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -74.2 | 39.6 | -160.8 | 63.6 | 0 | 0 | 0 | 0 | 116.8 | ||
| 283 | S | 46.4 | Very low | 59.2 | Low | 63 Ų | 63 | 66.2 Ų | 66.2 | 44% | 0.441 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -111.7 | -174.8 | 168.3 | 50.2 | 0 | 0 | 0 | 0 | 108.3 | S281 Q285 | S281-S283 PolarHBondContact O-N 3.49Å; S281-S283 PolarHBondContact O-OG 2.74Å; S283-Q285 PolarHBondContact O-N 3.27Å |
| 284 | V | 47.3 | Very low | 62.1 | Low | 90 Ų | 90 | 62 Ų | 62 | 55% | 0.545 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -47 | 132.3 | 160.6 | 179.7 | 0 | 0 | 0 | 0 | 108 | G286 L314 | V284-G286 PolarHBondContact O-N 3.03Å; V284-L314 HydrophobicContact CB-CD1 3.54Å; V284-L314 HydrophobicContact CB-CD2 3.89Å; V284-L314 HydrophobicContact CB-CG 4.33Å; V284-L314 HydrophobicContact CG1-CD1 3.64Å; V284-L314 HydrophobicContact CG2-CD1 4.02Å |
| 285 | Q | 61.5 | Low | 64.7 | Low | 68 Ų | 68 | 58.5 Ų | 58.5 | 32% | 0.318 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -63.5 | 106.4 | -177.6 | -67.8 | -162.2 | -4.6 | 0 | 0 | 108.2 | A278 A280 S283 | A278-Q285 PolarHBondContact O-OE1 3.36Å; A280-Q285 HydrophobicContact CB-CG 3.97Å; S283-Q285 PolarHBondContact O-N 3.27Å |
| 286 | G | 75.7 | Confident | 67.1 | Low | 7 Ų | 7 | 56.1 Ų | 56.1 | 7% | 0.072 | 34% | 0.336 | C | S | . | . | trans | -135.2 | 160 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | V284 P288 M335 | V284-G286 PolarHBondContact O-N 3.03Å; G286-P288 VanDerWaalsContact O-CD 3.22Å; G286-P288 WeakPolarHBondContact O-CD 2.89Å; G286-M335 CarbonylContact C-O 3.56Å; G286-M335 VanDerWaalsContact C-O 3.27Å; G286-M335 WeakPolarHBondContact CA-O 3.22Å | ||
| 287 | F | 88.5 | Confident | 69.3 | Low | 34 Ų | 34 | 57 Ų | 57 | 15% | 0.149 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 105.9 | -169.4 | -63.2 | -85.6 | 0 | 0 | 0 | 108.7 | A278 I289 M335 V336 Y338 A341 F362 | A278-F287 HydrophobicContact CB-CE1 4.07Å; F287-I289 PolarHBondContact O-N 3.22Å; F287-M335 PolarHBondContact N-O 2.93Å; F287-M335 PolarHBondContact O-N 3.12Å; F287-M335 VanDerWaalsContact O-N 3.09Å; F287-V336 WeakPolarHBondContact CD2-O 3.2Å; F287-V336 WeakPolarHBondContact CE2-O 3.27Å; F287-Y338 AromaticContact CD1-CD2 3.63Å; F287-Y338 HydrophobicContact CD1-CD2 3.63Å; F287-Y338 HydrophobicContact CD1-CG 4.28Å; F287-Y338 AromaticContact CE1-CD2 3.82Å; F287-Y338 HydrophobicContact CE1-CD2 3.82Å; F287-Y338 HydrophobicContact CE1-CG 4.19Å; F287-Y338 VanDerWaalsContact CE2-N 3.28Å; F287-Y338 HydrophobicContact CG-CD2 4.31Å; F287-A341 HydrophobicContact CB-CB 3.81Å; F287-F362 HydrophobicContact CB-CE1 4.26Å |
| 288 | P | 90.6 | Very high | 71.8 | Confident | 36 Ų | 36 | 52.4 Ų | 52.4 | 23% | 0.234 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 118.2 | -175.5 | 30.9 | -33.9 | 0 | 0 | 0 | 110.3 | G286 K363 | G286-P288 VanDerWaalsContact O-CD 3.22Å; G286-P288 WeakPolarHBondContact O-CD 2.89Å; P288-K363 HydrophobicContact CB-CB 3.92Å; P288-K363 HydrophobicContact CB-CD 3.77Å; P288-K363 HydrophobicContact CG-CB 4.03Å; P288-K363 HydrophobicContact CG-CD 4.08Å; P288-K363 WeakPolarHBondContact O-CB 3.48Å; P288-K363 PolarHBondContact O-N 3.5Å |
| 289 | I | 93.2 | Very high | 73.8 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 133.7 | 171.6 | -54.9 | 177 | 0 | 0 | 0 | 108 | F287 V291 F307 F332 V333 M335 A341 A344 I345 V360 S361 | F287-I289 PolarHBondContact O-N 3.22Å; I289-V291 HydrophobicContact CG2-CG2 4.14Å; I289-F307 HydrophobicContact CD1-CD1 4.11Å; I289-F307 HydrophobicContact CD1-CE1 3.65Å; I289-F307 HydrophobicContact CG2-CE1 4.17Å; I289-F307 HydrophobicContact CG2-CZ 4.34Å; I289-F332 CarbonylContact O-C 3.6Å; I289-F332 VanDerWaalsContact O-CA 3.3Å; I289-F332 WeakPolarHBondContact O-CA 3.27Å; I289-V333 WeakPolarHBondContact CA-O 3.48Å; I289-V333 HydrophobicContact CB-CB 4.49Å; I289-V333 WeakPolarHBondContact CB-O 3.43Å; I289-V333 PolarHBondContact N-O 2.95Å; I289-V333 PolarHBondContact O-N 2.69Å; I289-M335 HydrophobicContact CD1-CG 3.59Å; I289-M335 HydrophobicContact CD1-SD 4.45Å; I289-M335 HydrophobicContact CG1-CG 4.39Å; I289-A341 HydrophobicContact CD1-CB 3.93Å; I289-A341 HydrophobicContact CG1-CB 4.24Å; I289-A344 HydrophobicContact CD1-CB 4.23Å; I289-I345 HydrophobicContact CD1-CG1 4.31Å; I289-I345 HydrophobicContact CG1-CD1 4.3Å; I289-I345 HydrophobicContact CG1-CG1 4.42Å; I289-I345 HydrophobicContact CG2-CG1 4.1Å; I289-V360 HydrophobicContact CG2-CG1 3.42Å; I289-V360 VanDerWaalsContact CG2-CG1 3.42Å; I289-S361 CarbonylContact C-O 3.58Å; I289-S361 WeakPolarHBondContact CA-O 3.34Å; I289-S361 WeakPolarHBondContact CG2-O 3.43Å |
| 290 | F | 93.8 | Very high | 76.1 | Confident | 56 Ų | 56 | 56.1 Ų | 56.1 | 25% | 0.246 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 126 | 166.7 | 174.5 | -117.7 | 0 | 0 | 0 | 108.8 | Y292 Y330 F332 V360 S361 K363 | F290-Y292 HydrophobicContact CE1-CD2 4.27Å; F290-Y292 HydrophobicContact CE1-CG 4.22Å; F290-Y292 AromaticContact CZ-CD2 3.7Å; F290-Y292 HydrophobicContact CZ-CD2 3.7Å; F290-Y292 HydrophobicContact CZ-CG 4.08Å; F290-Y330 HydrophobicContact CD2-CD2 4.46Å; F290-Y330 AromaticContact CE2-CD2 3.68Å; F290-Y330 HydrophobicContact CE2-CD2 3.68Å; F290-Y330 HydrophobicContact CE2-CE2 4.47Å; F290-Y330 HydrophobicContact CE2-CG 4.02Å; F290-F332 HydrophobicContact CB-CD1 4.38Å; F290-F332 HydrophobicContact CB-CE1 4.28Å; F290-F332 HydrophobicContact CD2-CD1 4.11Å; F290-F332 AromaticContact CD2-CE1 3.55Å; F290-F332 HydrophobicContact CD2-CE1 3.55Å; F290-F332 HydrophobicContact CD2-CZ 4.05Å; F290-F332 HydrophobicContact CE2-CE1 4.34Å; F290-F332 HydrophobicContact CE2-CZ 4.42Å; F290-F332 HydrophobicContact CG-CE1 4.33Å; F290-V360 WeakPolarHBondContact O-CA 3.29Å; F290-S361 PolarHBondContact N-O 3.09Å; F290-S361 PolarHBondContact O-N 3.17Å; F290-K363 HydrophobicContact CB-CB 4.44Å |
| 291 | V | 93.3 | Very high | 78.6 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 119.8 | 178.5 | -171.8 | 0 | 0 | 0 | 0 | 107.8 | I289 L294 L303 F307 Y330 A331 V333 Q359 V360 | I289-V291 HydrophobicContact CG2-CG2 4.14Å; V291-L294 HydrophobicContact CG1-CD1 4.39Å; V291-L294 HydrophobicContact CG1-CD2 3.79Å; V291-L294 HydrophobicContact CG1-CG 4.18Å; V291-L303 HydrophobicContact CG1-CD2 4.42Å; V291-F307 HydrophobicContact CG2-CE2 3.84Å; V291-F307 HydrophobicContact CG2-CZ 3.56Å; V291-Y330 CarbonylContact O-C 3.51Å; V291-Y330 WeakPolarHBondContact O-CA 3.46Å; V291-Y330 VanDerWaalsContact O-CB 3.3Å; V291-Y330 WeakPolarHBondContact O-CB 3.37Å; V291-A331 PolarHBondContact N-O 3.25Å; V291-A331 PolarHBondContact O-N 3.04Å; V291-V333 HydrophobicContact CG2-CG2 4.04Å; V291-Q359 CarbonylContact C-O 3.57Å; V291-Q359 WeakPolarHBondContact CA-O 3.17Å; V291-V360 HydrophobicContact CG1-CG2 4.38Å |
| 292 | Y | 93.3 | Very high | 81.2 | Confident | 105 Ų | 105 | 58.9 Ų | 58.9 | 41% | 0.412 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 166.1 | -176.7 | -174.6 | -95.4 | 0 | 0 | 0 | 111.7 | F290 L294 G329 Q359 | F290-Y292 HydrophobicContact CE1-CD2 4.27Å; F290-Y292 HydrophobicContact CE1-CG 4.22Å; F290-Y292 AromaticContact CZ-CD2 3.7Å; F290-Y292 HydrophobicContact CZ-CD2 3.7Å; F290-Y292 HydrophobicContact CZ-CG 4.08Å; Y292-L294 VanDerWaalsContact C-N 3.33Å; Y292-G329 CarbonylContact C-O 3.49Å; Y292-Q359 VanDerWaalsContact CD1-OE1 3.29Å; Y292-Q359 PolarHBondContact N-O 3.43Å; Y292-Q359 PolarHBondContact O-N 2.92Å |
| 293 | N | 92.1 | Very high | 83.7 | Confident | 55 Ų | 55 | 52.6 Ų | 52.6 | 29% | 0.294 | 28% | 0.277 | S | S | . | . | S | Bend | trans | 63.9 | 30.1 | -174.4 | -159.5 | 27 | 0 | 0 | 0 | 114.7 | G329 R356 K357 | N293-G329 PolarHBondContact N-O 3.47Å; N293-R356 WeakPolarHBondContact O-CB 3.34Å; N293-R356 WeakPolarHBondContact O-CD 3.2Å; N293-K357 WeakPolarHBondContact CB-O 3.47Å; N293-K357 PolarHBondContact ND2-O 2.87Å |
| 294 | L | 90.8 | Very high | 85.8 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | trans | -64.4 | 149.7 | 172.5 | -62.9 | 174 | 0 | 0 | 0 | 111.4 | V291 Y292 V298 L303 G329 A331 R356 L358 | V291-L294 HydrophobicContact CG1-CD1 4.39Å; V291-L294 HydrophobicContact CG1-CD2 3.79Å; V291-L294 HydrophobicContact CG1-CG 4.18Å; Y292-L294 VanDerWaalsContact C-N 3.33Å; L294-V298 HydrophobicContact CB-CB 4.46Å; L294-V298 HydrophobicContact CD2-CG1 4.19Å; L294-L303 HydrophobicContact CD1-CD1 4.28Å; L294-L303 HydrophobicContact CD1-CD2 4.46Å; L294-L303 HydrophobicContact CD2-CD2 3.99Å; L294-G329 PolarHBondContact N-O 2.92Å; L294-A331 HydrophobicContact CD1-CB 3.62Å; L294-R356 PolarHBondContact O-NH1 3.05Å; L294-R356 VanDerWaalsContact O-NH1 3.09Å; L294-L358 HydrophobicContact CD2-CD2 3.68Å | ||
| 295 | S | 88.1 | Confident | 87.9 | Confident | 10 Ų | 10 | 57.1 Ų | 57.1 | 7% | 0.07 | 28% | 0.28 | C | S | . | . | trans | -65.7 | 146.7 | 166.1 | 164.2 | 0 | 0 | 0 | 0 | 110.3 | E297 V298 D354 | S295-E297 PolarHBondContact O-N 2.83Å; S295-E297 VanDerWaalsContact O-N 3.11Å; S295-E297 PolarHBondContact OG-N 2.83Å; S295-V298 PolarHBondContact O-N 3.01Å; S295-V298 VanDerWaalsContact O-N 3.13Å; S295-D354 WeakPolarHBondContact CB-OD2 3.37Å | ||
| 296 | P | 84.2 | Confident | 89.3 | Confident | 52 Ų | 52 | 55 Ų | 55 | 34% | 0.338 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -16 | 174.2 | 26.1 | -35.7 | 0 | 0 | 0 | 113.8 | ||
| 297 | E | 84.3 | Confident | 90.1 | Very high | 163 Ų | 163 | 54.7 Ų | 54.7 | 76% | 0.762 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -9.3 | 179.8 | -61.1 | 178.1 | -179.9 | 0 | 0 | 113.2 | S295 E299 | S295-E297 PolarHBondContact O-N 2.83Å; S295-E297 VanDerWaalsContact O-N 3.11Å; S295-E297 PolarHBondContact OG-N 2.83Å; E297-E299 PolarHBondContact O-N 3.5Å |
| 298 | V | 85.9 | Confident | 90.1 | Very high | 5 Ų | 5 | 54.9 Ų | 54.9 | 3% | 0.03 | 28% | 0.278 | C | S | . | . | trans | -69 | 121.1 | -178.9 | 167.4 | 0 | 0 | 0 | 0 | 111.4 | L294 S295 K302 L303 C327 L353 | L294-V298 HydrophobicContact CB-CB 4.46Å; L294-V298 HydrophobicContact CD2-CG1 4.19Å; S295-V298 PolarHBondContact O-N 3.01Å; S295-V298 VanDerWaalsContact O-N 3.13Å; V298-K302 HydrophobicContact CG1-CB 4.4Å; V298-L303 HydrophobicContact CG1-CD2 4.39Å; V298-L303 HydrophobicContact CG1-CG 4.12Å; V298-C327 PolarHBondContact O-SG 2.91Å; V298-L353 HydrophobicContact CG2-CD2 3.81Å | ||
| 299 | E | 87.7 | Confident | 90.2 | Very high | 121 Ų | 121 | 58.3 Ų | 58.3 | 57% | 0.565 | 30% | 0.301 | S | S | * | . | trans | -95.5 | 165.8 | 172.7 | -60.8 | -166.7 | 156.8 | 0 | 0 | 113.1 | E297 A301 K302 L303 | E297-E299 PolarHBondContact O-N 3.5Å; E299-A301 PolarHBondContact O-N 2.73Å; E299-K302 PolarHBondContact O-N 3.34Å; E299-L303 PolarHBondContact O-N 2.79Å | ||
| 300 | E | 88.7 | Confident | 90.1 | Very high | 80 Ų | 80 | 60.9 Ų | 60.9 | 37% | 0.374 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -58.4 | -36.3 | 178.3 | -68.5 | 178.8 | 175.7 | 0 | 0 | 111.7 | K302 L303 W304 I316 V318 | E300-K302 VanDerWaalsContact C-N 3.26Å; E300-K302 PolarHBondContact O-N 3.43Å; E300-L303 PolarHBondContact O-N 2.78Å; E300-L303 VanDerWaalsContact O-N 3.13Å; E300-W304 PolarHBondContact O-N 3.09Å; E300-I316 HydrophobicContact CB-CG2 4.31Å; E300-I316 HydrophobicContact CG-CG2 4.08Å; E300-V318 HydrophobicContact CG-CB 4.03Å; E300-V318 HydrophobicContact CG-CG2 3.51Å; E300-V318 PolarHBondContact OE1-N 2.86Å |
| 301 | A | 90.4 | Very high | 89.8 | Confident | 68 Ų | 68 | 59.2 Ų | 59.2 | 56% | 0.562 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -57.5 | -35 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | E299 W304 Q305 | E299-A301 PolarHBondContact O-N 2.73Å; A301-W304 PolarHBondContact O-N 3.19Å; A301-Q305 PolarHBondContact O-N 2.74Å; A301-Q305 VanDerWaalsContact O-N 3.09Å |
| 302 | K | 90.1 | Very high | 89.5 | Confident | 92 Ų | 92 | 61.7 Ų | 61.7 | 40% | 0.4 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -74.3 | -34.4 | 178.4 | -167.3 | 62.2 | 178.7 | 177.5 | 0 | 111.9 | V298 E299 E300 Q305 L306 | V298-K302 HydrophobicContact CG1-CB 4.4Å; E299-K302 PolarHBondContact O-N 3.34Å; E300-K302 VanDerWaalsContact C-N 3.26Å; E300-K302 PolarHBondContact O-N 3.43Å; K302-Q305 PolarHBondContact O-N 3.29Å; K302-L306 WeakPolarHBondContact O-CB 3.42Å; K302-L306 PolarHBondContact O-N 3.17Å |
| 303 | L | 91.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -68.9 | -37.3 | 172.3 | -64.8 | 173.3 | 0 | 0 | 0 | 111.7 | V291 L294 V298 E299 E300 Q305 L306 F307 I316 V318 A331 | V291-L303 HydrophobicContact CG1-CD2 4.42Å; L294-L303 HydrophobicContact CD1-CD1 4.28Å; L294-L303 HydrophobicContact CD1-CD2 4.46Å; L294-L303 HydrophobicContact CD2-CD2 3.99Å; V298-L303 HydrophobicContact CG1-CD2 4.39Å; V298-L303 HydrophobicContact CG1-CG 4.12Å; E299-L303 PolarHBondContact O-N 2.79Å; E300-L303 PolarHBondContact O-N 2.78Å; E300-L303 VanDerWaalsContact O-N 3.13Å; L303-Q305 VanDerWaalsContact C-N 3.35Å; L303-Q305 PolarHBondContact O-N 2.99Å; L303-L306 PolarHBondContact O-N 2.84Å; L303-F307 HydrophobicContact CD2-CE2 4.32Å; L303-F307 WeakPolarHBondContact O-CD2 3.32Å; L303-F307 PolarHBondContact O-N 2.76Å; L303-I316 HydrophobicContact CB-CD1 3.69Å; L303-I316 HydrophobicContact CB-CG2 4.1Å; L303-I316 HydrophobicContact CD1-CG2 3.74Å; L303-V318 HydrophobicContact CD1-CG2 3.52Å; L303-A331 HydrophobicContact CD1-CB 3.53Å |
| 304 | W | 90.8 | Very high | 89.2 | Confident | 121 Ų | 121 | 57.6 Ų | 57.6 | 46% | 0.458 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -57.8 | -46.3 | 170.4 | -82.7 | 105 | 0 | 0 | 0 | 111.7 | E300 A301 L306 G308 V313 I316 | E300-W304 PolarHBondContact O-N 3.09Å; A301-W304 PolarHBondContact O-N 3.19Å; W304-L306 VanDerWaalsContact C-N 3.3Å; W304-L306 PolarHBondContact O-N 3.48Å; W304-G308 WeakPolarHBondContact O-CA 3.21Å; W304-G308 PolarHBondContact O-N 2.89Å; W304-V313 HydrophobicContact CD2-CG1 4.5Å; W304-V313 HydrophobicContact CE3-CB 3.89Å; W304-V313 HydrophobicContact CE3-CG1 4.18Å; W304-V313 HydrophobicContact CE3-CG2 4.44Å; W304-V313 HydrophobicContact CH2-CB 3.96Å; W304-V313 HydrophobicContact CH2-CG1 3.92Å; W304-V313 WeakPolarHBondContact CH2-O 3.47Å; W304-V313 HydrophobicContact CZ2-CG1 4.23Å; W304-V313 HydrophobicContact CZ3-CB 3.52Å; W304-V313 HydrophobicContact CZ3-CG1 3.92Å; W304-V313 HydrophobicContact CZ3-CG2 4.48Å; W304-V313 WeakPolarHBondContact CZ3-O 3.21Å; W304-I316 HydrophobicContact CB-CD1 4.21Å; W304-I316 HydrophobicContact CD2-CD1 3.83Å; W304-I316 HydrophobicContact CD2-CG1 4.38Å; W304-I316 HydrophobicContact CG-CD1 3.58Å; W304-I316 HydrophobicContact CZ2-CG1 4.4Å |
| 305 | Q | 91 | Very high | 89.2 | Confident | 127 Ų | 127 | 61.6 Ų | 61.6 | 59% | 0.593 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -63.9 | -34.7 | 176.7 | -167.5 | -176.9 | 30.7 | 0 | 0 | 112.8 | A301 K302 L303 P309 | A301-Q305 PolarHBondContact O-N 2.74Å; A301-Q305 VanDerWaalsContact O-N 3.09Å; K302-Q305 PolarHBondContact O-N 3.29Å; L303-Q305 VanDerWaalsContact C-N 3.35Å; L303-Q305 PolarHBondContact O-N 2.99Å; Q305-P309 WeakPolarHBondContact O-CD 3.5Å |
| 306 | L | 91.6 | Very high | 89.3 | Confident | 24 Ų | 24 | 61.5 Ų | 61.5 | 13% | 0.126 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -78 | -39.2 | -177 | -166.8 | 70.9 | 0 | 0 | 0 | 112.9 | K302 L303 W304 F310 L348 F351 L358 | K302-L306 WeakPolarHBondContact O-CB 3.42Å; K302-L306 PolarHBondContact O-N 3.17Å; L303-L306 PolarHBondContact O-N 2.84Å; W304-L306 VanDerWaalsContact C-N 3.3Å; W304-L306 PolarHBondContact O-N 3.48Å; L306-F310 WeakPolarHBondContact O-CE2 3.47Å; L306-L348 HydrophobicContact CD1-CD2 3.67Å; L306-L348 HydrophobicContact CD2-CD1 4.14Å; L306-L348 HydrophobicContact CD2-CD2 4.07Å; L306-L348 HydrophobicContact CG-CD1 3.88Å; L306-L348 HydrophobicContact CG-CD2 3.64Å; L306-L348 HydrophobicContact CG-CG 4.4Å; L306-F351 HydrophobicContact CD1-CD1 4.24Å; L306-F351 HydrophobicContact CD1-CE1 3.91Å; L306-F351 HydrophobicContact CD1-CZ 4.28Å; L306-L358 HydrophobicContact CD2-CD1 3.61Å |
| 307 | F | 92.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -92.2 | -25.7 | -177.7 | -78.5 | -94.2 | 0 | 0 | 0 | 113.9 | I289 V291 L303 P309 F310 V313 V333 M335 A344 L348 V360 | I289-F307 HydrophobicContact CD1-CD1 4.11Å; I289-F307 HydrophobicContact CD1-CE1 3.65Å; I289-F307 HydrophobicContact CG2-CE1 4.17Å; I289-F307 HydrophobicContact CG2-CZ 4.34Å; V291-F307 HydrophobicContact CG2-CE2 3.84Å; V291-F307 HydrophobicContact CG2-CZ 3.56Å; L303-F307 HydrophobicContact CD2-CE2 4.32Å; L303-F307 WeakPolarHBondContact O-CD2 3.32Å; L303-F307 PolarHBondContact O-N 2.76Å; F307-P309 VanDerWaalsContact C-CD 3.45Å; F307-F310 PolarHBondContact O-N 2.93Å; F307-V313 HydrophobicContact CB-CG2 3.69Å; F307-V333 HydrophobicContact CB-CG1 4.16Å; F307-V333 HydrophobicContact CD1-CB 4.44Å; F307-V333 HydrophobicContact CD1-CG1 3.89Å; F307-V333 HydrophobicContact CD2-CG1 4.24Å; F307-V333 HydrophobicContact CD2-CG2 3.98Å; F307-V333 HydrophobicContact CE1-CB 4.46Å; F307-V333 HydrophobicContact CE1-CG1 4.38Å; F307-V333 HydrophobicContact CE2-CG2 3.93Å; F307-V333 HydrophobicContact CG-CB 4.48Å; F307-V333 HydrophobicContact CG-CG1 3.82Å; F307-V333 HydrophobicContact CG-CG2 4.4Å; F307-V333 HydrophobicContact CZ-CG2 4.3Å; F307-M335 HydrophobicContact CB-SD 4.29Å; F307-M335 HydrophobicContact CD1-SD 4.03Å; F307-A344 HydrophobicContact CD1-CB 3.85Å; F307-A344 HydrophobicContact CE1-CB 3.93Å; F307-L348 HydrophobicContact CD1-CD1 3.92Å; F307-L348 HydrophobicContact CD2-CD1 4.03Å; F307-L348 HydrophobicContact CE1-CD1 3.66Å; F307-L348 HydrophobicContact CE2-CD1 3.78Å; F307-L348 HydrophobicContact CG-CD1 4.1Å; F307-L348 HydrophobicContact CZ-CD1 3.58Å; F307-V360 HydrophobicContact CE1-CG1 4.34Å; F307-V360 HydrophobicContact CZ-CG1 4.02Å |
| 308 | G | 89.3 | Confident | 89.9 | Confident | 37 Ų | 37 | 57.6 Ų | 57.6 | 38% | 0.381 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -53.9 | -37.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | W304 F310 G311 | W304-G308 WeakPolarHBondContact O-CA 3.21Å; W304-G308 PolarHBondContact O-N 2.89Å; G308-F310 PolarHBondContact O-N 2.97Å; G308-G311 PolarHBondContact O-N 3.46Å |
| 309 | P | 91.9 | Very high | 90.1 | Very high | 109 Ų | 109 | 58.9 Ų | 58.9 | 71% | 0.708 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -64.2 | -21 | 176.2 | -25.2 | 35.9 | 0 | 0 | 0 | 114.7 | Q305 F307 | Q305-P309 WeakPolarHBondContact O-CD 3.5Å; F307-P309 VanDerWaalsContact C-CD 3.45Å |
| 310 | F | 90.9 | Very high | 90.1 | Very high | 54 Ų | 54 | 57.6 Ų | 57.6 | 24% | 0.237 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -90.9 | -14.6 | -178.1 | -61.8 | -79.7 | 0 | 0 | 0 | 113.5 | L306 F307 G308 M335 E340 A344 S347 L348 | L306-F310 WeakPolarHBondContact O-CE2 3.47Å; F307-F310 PolarHBondContact O-N 2.93Å; G308-F310 PolarHBondContact O-N 2.97Å; F310-M335 HydrophobicContact CB-CE 4.42Å; F310-E340 WeakPolarHBondContact O-CB 3.43Å; F310-E340 VanDerWaalsContact O-CG 3.27Å; F310-E340 WeakPolarHBondContact O-CG 3.46Å; F310-A344 HydrophobicContact CB-CB 3.73Å; F310-A344 HydrophobicContact CD1-CB 4.25Å; F310-A344 HydrophobicContact CD2-CB 3.96Å; F310-A344 HydrophobicContact CG-CB 3.7Å; F310-S347 VanDerWaalsContact CE1-CB 3.44Å; F310-S347 VanDerWaalsContact CZ-CB 3.45Å; F310-L348 HydrophobicContact CD2-CD1 4.17Å; F310-L348 HydrophobicContact CE2-CD1 3.8Å; F310-L348 HydrophobicContact CE2-CD2 3.88Å; F310-L348 HydrophobicContact CE2-CG 3.76Å; F310-L348 HydrophobicContact CZ-CD2 4.22Å; F310-L348 HydrophobicContact CZ-CG 4.13Å |
| 311 | G | 87.1 | Confident | 89.7 | Confident | 20 Ų | 20 | 56.2 Ų | 56.2 | 21% | 0.206 | 30% | 0.304 | C | S | . | . | S | Bend | trans | 154.7 | -173.5 | -177 | 0 | 0 | 0 | 0 | 0 | 115.3 | G308 V313 E340 | G308-G311 PolarHBondContact O-N 3.46Å; G311-V313 PolarHBondContact O-N 2.81Å; G311-E340 VanDerWaalsContact CA-CD 3.45Å; G311-E340 VanDerWaalsContact CA-OE2 3.24Å; G311-E340 WeakPolarHBondContact CA-OE2 3.14Å |
| 312 | A | 88.6 | Confident | 89.1 | Confident | 53 Ų | 53 | 61.7 Ų | 61.7 | 44% | 0.438 | 32% | 0.318 | S | S | . | . | trans | -76.4 | 114.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | M335 V336 E340 | A312-M335 CarbonylContact O-C 3.5Å; A312-V336 HydrophobicContact CB-CB 4.06Å; A312-V336 HydrophobicContact CB-CG2 3.71Å; A312-V336 WeakPolarHBondContact O-CG2 3.36Å; A312-V336 PolarHBondContact O-N 2.94Å; A312-E340 PolarHBondContact N-OE2 3.27Å | ||
| 313 | V | 91 | Very high | 88.7 | Confident | 16 Ų | 16 | 65.1 Ų | 65.1 | 10% | 0.097 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 121.6 | 172.3 | 178.6 | 0 | 0 | 0 | 0 | 109.2 | W304 F307 G311 I316 V333 M335 | W304-V313 HydrophobicContact CD2-CG1 4.5Å; W304-V313 HydrophobicContact CE3-CB 3.89Å; W304-V313 HydrophobicContact CE3-CG1 4.18Å; W304-V313 HydrophobicContact CE3-CG2 4.44Å; W304-V313 HydrophobicContact CH2-CB 3.96Å; W304-V313 HydrophobicContact CH2-CG1 3.92Å; W304-V313 WeakPolarHBondContact CH2-O 3.47Å; W304-V313 HydrophobicContact CZ2-CG1 4.23Å; W304-V313 HydrophobicContact CZ3-CB 3.52Å; W304-V313 HydrophobicContact CZ3-CG1 3.92Å; W304-V313 HydrophobicContact CZ3-CG2 4.48Å; W304-V313 WeakPolarHBondContact CZ3-O 3.21Å; F307-V313 HydrophobicContact CB-CG2 3.69Å; G311-V313 PolarHBondContact O-N 2.81Å; V313-I316 HydrophobicContact CG1-CD1 4.01Å; V313-I316 HydrophobicContact CG1-CG1 3.58Å; V313-V333 HydrophobicContact CG1-CG1 3.89Å; V313-V333 HydrophobicContact CG2-CG1 4.3Å; V313-M335 HydrophobicContact CG2-CE 4.24Å; V313-M335 HydrophobicContact CG2-SD 3.7Å |
| 314 | L | 88.3 | Confident | 88.1 | Confident | 57 Ų | 57 | 68.9 Ų | 68.9 | 30% | 0.298 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | -44.1 | 178.2 | -167.3 | 93 | 0 | 0 | 0 | 112.3 | V284 T334 V336 | V284-L314 HydrophobicContact CB-CD1 3.54Å; V284-L314 HydrophobicContact CB-CD2 3.89Å; V284-L314 HydrophobicContact CB-CG 4.33Å; V284-L314 HydrophobicContact CG1-CD1 3.64Å; V284-L314 HydrophobicContact CG2-CD1 4.02Å; L314-T334 WeakPolarHBondContact CA-O 3.34Å; L314-T334 HydrophobicContact CB-CG2 4.22Å; L314-T334 VanDerWaalsContact CB-O 3.29Å; L314-T334 WeakPolarHBondContact CB-O 3.46Å; L314-T334 HydrophobicContact CD2-CG2 4.03Å; L314-T334 PolarHBondContact N-O 3.48Å; L314-V336 HydrophobicContact CB-CG2 4.29Å; L314-V336 HydrophobicContact CD1-CG2 4.02Å |
| 315 | N | 89 | Confident | 87.4 | Confident | 84 Ų | 84 | 67.1 Ų | 67.1 | 45% | 0.449 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 139.7 | -176.3 | -172.9 | -111.9 | 0 | 0 | 0 | 111.2 | V333 T334 | N315-V333 CarbonylContact O-C 3.59Å; N315-T334 PolarHBondContact N-O 2.9Å; N315-T334 PolarHBondContact O-N 3Å |
| 316 | I | 91.9 | Very high | 86.7 | Confident | 9 Ų | 9 | 67.4 Ų | 67.4 | 5% | 0.046 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 139.3 | 168.4 | -54.3 | -167.1 | 0 | 0 | 0 | 107.9 | E300 L303 W304 V313 V318 F332 V333 | E300-I316 HydrophobicContact CB-CG2 4.31Å; E300-I316 HydrophobicContact CG-CG2 4.08Å; L303-I316 HydrophobicContact CB-CD1 3.69Å; L303-I316 HydrophobicContact CB-CG2 4.1Å; L303-I316 HydrophobicContact CD1-CG2 3.74Å; W304-I316 HydrophobicContact CB-CD1 4.21Å; W304-I316 HydrophobicContact CD2-CD1 3.83Å; W304-I316 HydrophobicContact CD2-CG1 4.38Å; W304-I316 HydrophobicContact CG-CD1 3.58Å; W304-I316 HydrophobicContact CZ2-CG1 4.4Å; V313-I316 HydrophobicContact CG1-CD1 4.01Å; V313-I316 HydrophobicContact CG1-CG1 3.58Å; I316-V318 HydrophobicContact CG2-CG2 4.4Å; I316-F332 CarbonylContact C-O 3.56Å; I316-F332 WeakPolarHBondContact CA-O 3.44Å; I316-V333 HydrophobicContact CD1-CG2 4.42Å; I316-V333 HydrophobicContact CG1-CG1 4.35Å; I316-V333 HydrophobicContact CG1-CG2 4.32Å; I316-V333 HydrophobicContact CG2-CG2 4.27Å |
| 317 | K | 90.3 | Very high | 86.1 | Confident | 122 Ų | 122 | 66.8 Ų | 66.8 | 53% | 0.53 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 98.4 | 174 | -175.8 | 177.8 | -177.4 | 171.7 | 0 | 109.7 | I319 A331 F332 | K317-I319 HydrophobicContact CD-CD1 4.03Å; K317-I319 HydrophobicContact CG-CD1 3.91Å; K317-A331 CarbonylContact O-C 3.59Å; K317-A331 WeakPolarHBondContact O-CA 3.43Å; K317-F332 PolarHBondContact N-O 2.95Å; K317-F332 PolarHBondContact O-N 2.81Å |
| 318 | V | 90.8 | Very high | 85.8 | Confident | 11 Ų | 11 | 72.3 Ų | 72.3 | 7% | 0.067 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 129.5 | 171.6 | 174.8 | 0 | 0 | 0 | 0 | 109 | E300 L303 I316 R320 C327 A331 | E300-V318 HydrophobicContact CG-CB 4.03Å; E300-V318 HydrophobicContact CG-CG2 3.51Å; E300-V318 PolarHBondContact OE1-N 2.86Å; L303-V318 HydrophobicContact CD1-CG2 3.52Å; I316-V318 HydrophobicContact CG2-CG2 4.4Å; V318-R320 HydrophobicContact CG1-CG 4.12Å; V318-R320 PolarHBondContact O-N 2.76Å; V318-C327 HydrophobicContact CG1-CB 3.98Å; V318-C327 WeakPolarHBondContact CG1-SG 3.24Å; V318-A331 HydrophobicContact CB-CB 4.39Å; V318-A331 HydrophobicContact CG2-CB 3.89Å |
| 319 | I | 89.6 | Confident | 85.8 | Confident | 31 Ų | 31 | 71.1 Ų | 71.1 | 16% | 0.159 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 112.1 | -180 | -55.6 | -60.4 | 0 | 0 | 0 | 108.9 | K317 K328 Y330 F332 | K317-I319 HydrophobicContact CD-CD1 4.03Å; K317-I319 HydrophobicContact CG-CD1 3.91Å; I319-K328 HydrophobicContact CG2-CD 4.13Å; I319-K328 WeakPolarHBondContact O-CB 3.33Å; I319-K328 PolarHBondContact O-N 3.34Å; I319-Y330 HydrophobicContact CB-CD2 3.94Å; I319-Y330 HydrophobicContact CB-CE1 4.34Å; I319-Y330 HydrophobicContact CB-CE2 3.65Å; I319-Y330 HydrophobicContact CB-CG 4.45Å; I319-Y330 HydrophobicContact CG1-CD2 3.79Å; I319-Y330 HydrophobicContact CG1-CE2 3.49Å; I319-Y330 VanDerWaalsContact CG1-CE2 3.49Å; I319-Y330 HydrophobicContact CG2-CE1 4.21Å; I319-Y330 HydrophobicContact CG2-CE2 3.88Å; I319-Y330 PolarHBondContact N-O 3.37Å; I319-F332 HydrophobicContact CD1-CD2 4.13Å; I319-F332 HydrophobicContact CD1-CE2 4.1Å; I319-F332 HydrophobicContact CG1-CD2 4.03Å; I319-F332 HydrophobicContact CG1-CE2 3.84Å |
| 320 | R | 88.1 | Confident | 85.8 | Confident | 94 Ų | 94 | 69 Ų | 69 | 36% | 0.355 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 152.9 | -179.3 | -63.4 | 172.5 | -178 | -90.4 | -1.8 | 110.9 | V318 S325 K326 C327 | V318-R320 HydrophobicContact CG1-CG 4.12Å; V318-R320 PolarHBondContact O-N 2.76Å; R320-S325 WeakPolarHBondContact CD-O 3.3Å; R320-S325 PolarHBondContact NH1-O 3.35Å; R320-S325 VanDerWaalsContact NH1-O 3.12Å; R320-K326 CarbonylContact C-O 3.53Å; R320-K326 VanDerWaalsContact CA-O 3.27Å; R320-K326 WeakPolarHBondContact CA-O 3.48Å; R320-C327 PolarHBondContact NH1-SG 3.46Å |
| 321 | D | 80.6 | Confident | 85.9 | Confident | 51 Ų | 51 | 66.5 Ų | 66.5 | 27% | 0.273 | 34% | 0.344 | S | S | . | . | trans | -74.7 | 136 | 167.9 | 171.9 | 42.9 | 0 | 0 | 0 | 109.7 | L323 T324 S325 K326 K328 | D321-L323 VanDerWaalsContact C-N 3.34Å; D321-L323 PolarHBondContact O-N 2.94Å; D321-T324 WeakPolarHBondContact CB-OG1 3.26Å; D321-T324 WeakPolarHBondContact OD2-CB 3.39Å; D321-T324 WeakPolarHBondContact OD2-CG2 3.45Å; D321-T324 PolarHBondContact OD2-N 2.91Å; D321-T324 PolarHBondContact OD2-OG1 3.27Å; D321-S325 VanDerWaalsContact O-CA 3.26Å; D321-S325 WeakPolarHBondContact O-CA 3.27Å; D321-S325 PolarHBondContact O-N 2.85Å; D321-K326 PolarHBondContact N-O 3.04Å; D321-K328 HydrophobicContact CB-CD 4.32Å; D321-K328 HydrophobicContact CB-CG 4.06Å | ||
| 322 | Q | 77.7 | Confident | 86.2 | Confident | 183 Ų | 183 | 67.7 Ų | 67.7 | 86% | 0.855 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -25.2 | -172.9 | -74.5 | -175.7 | -23 | 0 | 0 | 113.1 | ||
| 323 | L | 80 | Confident | 86.5 | Confident | 165 Ų | 165 | 65.2 Ų | 65.2 | 86% | 0.864 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -37.2 | -179.2 | -69.2 | 167.4 | 0 | 0 | 0 | 112.1 | D321 | D321-L323 VanDerWaalsContact C-N 3.34Å; D321-L323 PolarHBondContact O-N 2.94Å |
| 324 | T | 80.4 | Confident | 86.5 | Confident | 79 Ų | 79 | 65.2 Ų | 65.2 | 49% | 0.485 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | -10.2 | -174.2 | 61.2 | 0 | 0 | 0 | 0 | 114.7 | D321 K326 | D321-T324 WeakPolarHBondContact CB-OG1 3.26Å; D321-T324 WeakPolarHBondContact OD2-CB 3.39Å; D321-T324 WeakPolarHBondContact OD2-CG2 3.45Å; D321-T324 PolarHBondContact OD2-N 2.91Å; D321-T324 PolarHBondContact OD2-OG1 3.27Å; T324-K326 PolarHBondContact O-N 3.13Å |
| 325 | S | 75.1 | Confident | 86.6 | Confident | 83 Ų | 83 | 62.5 Ų | 62.5 | 58% | 0.58 | 31% | 0.31 | S | S | * | . | trans | 57.2 | 3.3 | -171.2 | -64.8 | 0 | 0 | 0 | 0 | 115.6 | R320 D321 | R320-S325 WeakPolarHBondContact CD-O 3.3Å; R320-S325 PolarHBondContact NH1-O 3.35Å; R320-S325 VanDerWaalsContact NH1-O 3.12Å; D321-S325 VanDerWaalsContact O-CA 3.26Å; D321-S325 WeakPolarHBondContact O-CA 3.27Å; D321-S325 PolarHBondContact O-N 2.85Å | ||
| 326 | K | 76.2 | Confident | 86.6 | Confident | 134 Ų | 134 | 60.7 Ų | 60.7 | 58% | 0.583 | 30% | 0.301 | S | S | * | . | trans | -77 | 148.4 | 178.3 | -66.3 | -172.6 | 177.3 | -170.8 | 0 | 111 | R320 D321 T324 K328 | R320-K326 CarbonylContact C-O 3.53Å; R320-K326 VanDerWaalsContact CA-O 3.27Å; R320-K326 WeakPolarHBondContact CA-O 3.48Å; D321-K326 PolarHBondContact N-O 3.04Å; T324-K326 PolarHBondContact O-N 3.13Å; K326-K328 PolarHBondContact O-N 3.19Å | ||
| 327 | C | 80.1 | Confident | 86.5 | Confident | 10 Ų | 10 | 63.9 Ų | 63.9 | 7% | 0.068 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 131.9 | 178.7 | -55.5 | 0 | 0 | 0 | 0 | 110.2 | V298 V318 R320 G329 | V298-C327 PolarHBondContact O-SG 2.91Å; V318-C327 HydrophobicContact CG1-CB 3.98Å; V318-C327 WeakPolarHBondContact CG1-SG 3.24Å; R320-C327 PolarHBondContact NH1-SG 3.46Å; C327-G329 PolarHBondContact O-N 3.47Å |
| 328 | K | 85.3 | Confident | 86.4 | Confident | 117 Ų | 117 | 64 Ų | 64 | 51% | 0.509 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 17.2 | 178.3 | -57.7 | -171 | 71.7 | 167.6 | 0 | 113.1 | I319 D321 K326 Y330 | I319-K328 HydrophobicContact CG2-CD 4.13Å; I319-K328 WeakPolarHBondContact O-CB 3.33Å; I319-K328 PolarHBondContact O-N 3.34Å; D321-K328 HydrophobicContact CB-CD 4.32Å; D321-K328 HydrophobicContact CB-CG 4.06Å; K326-K328 PolarHBondContact O-N 3.19Å; K328-Y330 HydrophobicContact CB-CD1 4.03Å; K328-Y330 HydrophobicContact CB-CE1 3.76Å; K328-Y330 WeakPolarHBondContact O-CD1 3.49Å |
| 329 | G | 88.8 | Confident | 86.3 | Confident | 11 Ų | 11 | 70.7 Ų | 70.7 | 11% | 0.113 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 78.8 | 10.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y292 N293 L294 C327 | Y292-G329 CarbonylContact C-O 3.49Å; N293-G329 PolarHBondContact N-O 3.47Å; L294-G329 PolarHBondContact N-O 2.92Å; C327-G329 PolarHBondContact O-N 3.47Å |
| 330 | Y | 92.5 | Very high | 86.5 | Confident | 66 Ų | 66 | 71.5 Ų | 71.5 | 26% | 0.259 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 156.4 | 178.2 | 69.6 | -84.5 | 0 | 0 | 0 | 115.4 | F290 V291 I319 K328 F332 | F290-Y330 HydrophobicContact CD2-CD2 4.46Å; F290-Y330 AromaticContact CE2-CD2 3.68Å; F290-Y330 HydrophobicContact CE2-CD2 3.68Å; F290-Y330 HydrophobicContact CE2-CE2 4.47Å; F290-Y330 HydrophobicContact CE2-CG 4.02Å; V291-Y330 CarbonylContact O-C 3.51Å; V291-Y330 WeakPolarHBondContact O-CA 3.46Å; V291-Y330 VanDerWaalsContact O-CB 3.3Å; V291-Y330 WeakPolarHBondContact O-CB 3.37Å; I319-Y330 HydrophobicContact CB-CD2 3.94Å; I319-Y330 HydrophobicContact CB-CE1 4.34Å; I319-Y330 HydrophobicContact CB-CE2 3.65Å; I319-Y330 HydrophobicContact CB-CG 4.45Å; I319-Y330 HydrophobicContact CG1-CD2 3.79Å; I319-Y330 HydrophobicContact CG1-CE2 3.49Å; I319-Y330 VanDerWaalsContact CG1-CE2 3.49Å; I319-Y330 HydrophobicContact CG2-CE1 4.21Å; I319-Y330 HydrophobicContact CG2-CE2 3.88Å; I319-Y330 PolarHBondContact N-O 3.37Å; K328-Y330 HydrophobicContact CB-CD1 4.03Å; K328-Y330 HydrophobicContact CB-CE1 3.76Å; K328-Y330 WeakPolarHBondContact O-CD1 3.49Å; Y330-F332 HydrophobicContact CD2-CE2 4.27Å; Y330-F332 HydrophobicContact CD2-CZ 4.42Å; Y330-F332 HydrophobicContact CE2-CE2 4.1Å; Y330-F332 HydrophobicContact CE2-CZ 4.3Å |
| 331 | A | 93.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 165.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | V291 L294 L303 K317 V318 | V291-A331 PolarHBondContact N-O 3.25Å; V291-A331 PolarHBondContact O-N 3.04Å; L294-A331 HydrophobicContact CD1-CB 3.62Å; L303-A331 HydrophobicContact CD1-CB 3.53Å; K317-A331 CarbonylContact O-C 3.59Å; K317-A331 WeakPolarHBondContact O-CA 3.43Å; V318-A331 HydrophobicContact CB-CB 4.39Å; V318-A331 HydrophobicContact CG2-CB 3.89Å |
| 332 | F | 93.5 | Very high | 87.1 | Confident | 46 Ų | 46 | 68.1 Ų | 68.1 | 20% | 0.202 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 129.9 | 166.3 | -59.7 | -78.5 | 0 | 0 | 0 | 109.2 | I289 F290 I316 K317 I319 Y330 K363 | I289-F332 CarbonylContact O-C 3.6Å; I289-F332 VanDerWaalsContact O-CA 3.3Å; I289-F332 WeakPolarHBondContact O-CA 3.27Å; F290-F332 HydrophobicContact CB-CD1 4.38Å; F290-F332 HydrophobicContact CB-CE1 4.28Å; F290-F332 HydrophobicContact CD2-CD1 4.11Å; F290-F332 AromaticContact CD2-CE1 3.55Å; F290-F332 HydrophobicContact CD2-CE1 3.55Å; F290-F332 HydrophobicContact CD2-CZ 4.05Å; F290-F332 HydrophobicContact CE2-CE1 4.34Å; F290-F332 HydrophobicContact CE2-CZ 4.42Å; F290-F332 HydrophobicContact CG-CE1 4.33Å; I316-F332 CarbonylContact C-O 3.56Å; I316-F332 WeakPolarHBondContact CA-O 3.44Å; K317-F332 PolarHBondContact N-O 2.95Å; K317-F332 PolarHBondContact O-N 2.81Å; I319-F332 HydrophobicContact CD1-CD2 4.13Å; I319-F332 HydrophobicContact CD1-CE2 4.1Å; I319-F332 HydrophobicContact CG1-CD2 4.03Å; I319-F332 HydrophobicContact CG1-CE2 3.84Å; Y330-F332 HydrophobicContact CD2-CE2 4.27Å; Y330-F332 HydrophobicContact CD2-CZ 4.42Å; Y330-F332 HydrophobicContact CE2-CE2 4.1Å; Y330-F332 HydrophobicContact CE2-CZ 4.3Å; F332-K363 HydrophobicContact CD1-CD 3.83Å; F332-K363 HydrophobicContact CD1-CG 4.09Å; F332-K363 HydrophobicContact CE1-CD 3.93Å; F332-K363 HydrophobicContact CE1-CG 3.88Å |
| 333 | V | 93.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 128.4 | 174.1 | 178.7 | 0 | 0 | 0 | 0 | 107.2 | I289 V291 F307 V313 N315 I316 M335 | I289-V333 WeakPolarHBondContact CA-O 3.48Å; I289-V333 HydrophobicContact CB-CB 4.49Å; I289-V333 WeakPolarHBondContact CB-O 3.43Å; I289-V333 PolarHBondContact N-O 2.95Å; I289-V333 PolarHBondContact O-N 2.69Å; V291-V333 HydrophobicContact CG2-CG2 4.04Å; F307-V333 HydrophobicContact CB-CG1 4.16Å; F307-V333 HydrophobicContact CD1-CB 4.44Å; F307-V333 HydrophobicContact CD1-CG1 3.89Å; F307-V333 HydrophobicContact CD2-CG1 4.24Å; F307-V333 HydrophobicContact CD2-CG2 3.98Å; F307-V333 HydrophobicContact CE1-CB 4.46Å; F307-V333 HydrophobicContact CE1-CG1 4.38Å; F307-V333 HydrophobicContact CE2-CG2 3.93Å; F307-V333 HydrophobicContact CG-CB 4.48Å; F307-V333 HydrophobicContact CG-CG1 3.82Å; F307-V333 HydrophobicContact CG-CG2 4.4Å; F307-V333 HydrophobicContact CZ-CG2 4.3Å; V313-V333 HydrophobicContact CG1-CG1 3.89Å; V313-V333 HydrophobicContact CG2-CG1 4.3Å; N315-V333 CarbonylContact O-C 3.59Å; I316-V333 HydrophobicContact CD1-CG2 4.42Å; I316-V333 HydrophobicContact CG1-CG1 4.35Å; I316-V333 HydrophobicContact CG1-CG2 4.32Å; I316-V333 HydrophobicContact CG2-CG2 4.27Å; V333-M335 HydrophobicContact CG1-SD 4.1Å |
| 334 | T | 91.5 | Very high | 88.5 | Confident | 17 Ų | 17 | 54.2 Ų | 54.2 | 10% | 0.104 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 109.7 | 179.9 | -51.8 | 0 | 0 | 0 | 0 | 107.9 | L314 N315 | L314-T334 WeakPolarHBondContact CA-O 3.34Å; L314-T334 HydrophobicContact CB-CG2 4.22Å; L314-T334 VanDerWaalsContact CB-O 3.29Å; L314-T334 WeakPolarHBondContact CB-O 3.46Å; L314-T334 HydrophobicContact CD2-CG2 4.03Å; L314-T334 PolarHBondContact N-O 3.48Å; N315-T334 PolarHBondContact N-O 2.9Å; N315-T334 PolarHBondContact O-N 3Å |
| 335 | M | 90.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 157.2 | 173.9 | -58 | -58.8 | -70.4 | 0 | 0 | 110.3 | G286 F287 I289 F307 F310 A312 V313 V333 E340 A341 | G286-M335 CarbonylContact C-O 3.56Å; G286-M335 VanDerWaalsContact C-O 3.27Å; G286-M335 WeakPolarHBondContact CA-O 3.22Å; F287-M335 PolarHBondContact N-O 2.93Å; F287-M335 PolarHBondContact O-N 3.12Å; F287-M335 VanDerWaalsContact O-N 3.09Å; I289-M335 HydrophobicContact CD1-CG 3.59Å; I289-M335 HydrophobicContact CD1-SD 4.45Å; I289-M335 HydrophobicContact CG1-CG 4.39Å; F307-M335 HydrophobicContact CB-SD 4.29Å; F307-M335 HydrophobicContact CD1-SD 4.03Å; F310-M335 HydrophobicContact CB-CE 4.42Å; A312-M335 CarbonylContact O-C 3.5Å; V313-M335 HydrophobicContact CG2-CE 4.24Å; V313-M335 HydrophobicContact CG2-SD 3.7Å; V333-M335 HydrophobicContact CG1-SD 4.1Å; M335-E340 HydrophobicContact CE-CB 4.15Å; M335-A341 HydrophobicContact CB-CB 3.95Å; M335-A341 HydrophobicContact CG-CB 3.84Å |
| 336 | V | 89.5 | Confident | 89.9 | Confident | 45 Ų | 45 | 52.6 Ų | 52.6 | 27% | 0.273 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -73.3 | -45.4 | 172.8 | 176.8 | 0 | 0 | 0 | 0 | 111 | F287 A312 L314 | F287-V336 WeakPolarHBondContact CD2-O 3.2Å; F287-V336 WeakPolarHBondContact CE2-O 3.27Å; A312-V336 HydrophobicContact CB-CB 4.06Å; A312-V336 HydrophobicContact CB-CG2 3.71Å; A312-V336 WeakPolarHBondContact O-CG2 3.36Å; A312-V336 PolarHBondContact O-N 2.94Å; L314-V336 HydrophobicContact CB-CG2 4.29Å; L314-V336 HydrophobicContact CD1-CG2 4.02Å |
| 337 | N | 88.5 | Confident | 90.7 | Very high | 77 Ų | 77 | 49.7 Ų | 49.7 | 41% | 0.412 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -109.4 | 153.1 | -174.1 | -62.9 | -39.6 | 0 | 0 | 0 | 113.7 | E340 A341 | N337-E340 HydrophobicContact CB-CB 4.14Å; N337-E340 HydrophobicContact CB-CG 3.81Å; N337-E340 PolarHBondContact ND2-OE1 3.06Å; N337-A341 WeakPolarHBondContact O-CB 3.43Å; N337-A341 PolarHBondContact O-N 3.11Å |
| 338 | Y | 88.8 | Confident | 91.3 | Very high | 124 Ų | 124 | 49.4 Ų | 49.4 | 49% | 0.486 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -72.1 | -42.6 | -178.3 | 178.1 | -104.9 | 0 | 0 | 0 | 112.5 | F287 A341 L342 F362 | F287-Y338 AromaticContact CD1-CD2 3.63Å; F287-Y338 HydrophobicContact CD1-CD2 3.63Å; F287-Y338 HydrophobicContact CD1-CG 4.28Å; F287-Y338 AromaticContact CE1-CD2 3.82Å; F287-Y338 HydrophobicContact CE1-CD2 3.82Å; F287-Y338 HydrophobicContact CE1-CG 4.19Å; F287-Y338 VanDerWaalsContact CE2-N 3.28Å; F287-Y338 HydrophobicContact CG-CD2 4.31Å; Y338-A341 WeakPolarHBondContact O-CB 3.47Å; Y338-A341 PolarHBondContact O-N 3.34Å; Y338-L342 HydrophobicContact CE1-CD2 4.48Å; Y338-L342 WeakPolarHBondContact O-CB 3.46Å; Y338-L342 PolarHBondContact O-N 3.22Å; Y338-F362 HydrophobicContact CD2-CE1 4.11Å; Y338-F362 AromaticContact CD2-CZ 3.84Å; Y338-F362 HydrophobicContact CD2-CZ 3.84Å; Y338-F362 AromaticContact CE2-CE1 3.98Å; Y338-F362 HydrophobicContact CE2-CE1 3.98Å; Y338-F362 AromaticContact CE2-CE2 3.87Å; Y338-F362 HydrophobicContact CE2-CE2 3.87Å; Y338-F362 AromaticContact CE2-CZ 3.41Å; Y338-F362 HydrophobicContact CE2-CZ 3.41Å; Y338-F362 VanDerWaalsContact CE2-CZ 3.41Å |
| 339 | E | 89.2 | Confident | 91.6 | Very high | 152 Ų | 152 | 48.2 Ų | 48.2 | 71% | 0.71 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -66.8 | -41.5 | -179.2 | -173.9 | 174.3 | -169.3 | 0 | 0 | 111.7 | A341 L342 S343 | E339-A341 VanDerWaalsContact C-N 3.32Å; E339-A341 PolarHBondContact O-N 2.83Å; E339-L342 PolarHBondContact O-N 3.49Å; E339-S343 WeakPolarHBondContact O-CB 3.46Å; E339-S343 PolarHBondContact O-N 2.92Å; E339-S343 PolarHBondContact O-OG 2.83Å |
| 340 | E | 92.1 | Very high | 91.6 | Very high | 48 Ų | 48 | 49.3 Ų | 49.3 | 22% | 0.224 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57 | -44.8 | 169.1 | -66 | 176.8 | -169.8 | 0 | 0 | 111.1 | F310 G311 A312 M335 N337 S343 A344 | F310-E340 WeakPolarHBondContact O-CB 3.43Å; F310-E340 VanDerWaalsContact O-CG 3.27Å; F310-E340 WeakPolarHBondContact O-CG 3.46Å; G311-E340 VanDerWaalsContact CA-CD 3.45Å; G311-E340 VanDerWaalsContact CA-OE2 3.24Å; G311-E340 WeakPolarHBondContact CA-OE2 3.14Å; A312-E340 PolarHBondContact N-OE2 3.27Å; M335-E340 HydrophobicContact CE-CB 4.15Å; N337-E340 HydrophobicContact CB-CB 4.14Å; N337-E340 HydrophobicContact CB-CG 3.81Å; N337-E340 PolarHBondContact ND2-OE1 3.06Å; E340-S343 PolarHBondContact O-N 3.01Å; E340-A344 WeakPolarHBondContact O-CB 3.3Å; E340-A344 PolarHBondContact O-N 3.48Å |
| 341 | A | 92.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.7 | -41 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | F287 I289 M335 N337 Y338 E339 A344 I345 F362 | F287-A341 HydrophobicContact CB-CB 3.81Å; I289-A341 HydrophobicContact CD1-CB 3.93Å; I289-A341 HydrophobicContact CG1-CB 4.24Å; M335-A341 HydrophobicContact CB-CB 3.95Å; M335-A341 HydrophobicContact CG-CB 3.84Å; N337-A341 WeakPolarHBondContact O-CB 3.43Å; N337-A341 PolarHBondContact O-N 3.11Å; Y338-A341 WeakPolarHBondContact O-CB 3.47Å; Y338-A341 PolarHBondContact O-N 3.34Å; E339-A341 VanDerWaalsContact C-N 3.32Å; E339-A341 PolarHBondContact O-N 2.83Å; A341-A344 PolarHBondContact O-N 3.45Å; A341-I345 WeakPolarHBondContact O-CB 3.44Å; A341-I345 WeakPolarHBondContact O-CD1 3.47Å; A341-I345 VanDerWaalsContact O-CG1 3.27Å; A341-I345 WeakPolarHBondContact O-CG1 3.25Å; A341-I345 PolarHBondContact O-N 2.89Å; A341-F362 HydrophobicContact CB-CE1 3.74Å; A341-F362 HydrophobicContact CB-CZ 4.16Å |
| 342 | L | 91.2 | Very high | 91.4 | Very high | 74 Ų | 74 | 54.6 Ų | 54.6 | 39% | 0.387 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.5 | -40.1 | 177 | -174.9 | 68.3 | 0 | 0 | 0 | 111.4 | Y338 E339 I345 T346 F362 | Y338-L342 HydrophobicContact CE1-CD2 4.48Å; Y338-L342 WeakPolarHBondContact O-CB 3.46Å; Y338-L342 PolarHBondContact O-N 3.22Å; E339-L342 PolarHBondContact O-N 3.49Å; L342-I345 PolarHBondContact O-N 3.37Å; L342-T346 WeakPolarHBondContact O-CB 3.22Å; L342-T346 PolarHBondContact O-N 2.9Å; L342-T346 PolarHBondContact O-OG1 3.42Å; L342-F362 HydrophobicContact CB-CZ 4.34Å; L342-F362 HydrophobicContact CD1-CE2 4.01Å; L342-F362 HydrophobicContact CD1-CZ 4.48Å |
| 343 | S | 92.4 | Very high | 91 | Very high | 56 Ų | 56 | 53.1 Ų | 53.1 | 39% | 0.392 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.8 | -46.4 | 174.6 | -58.2 | 0 | 0 | 0 | 0 | 111.3 | E339 E340 I345 T346 S347 | E339-S343 WeakPolarHBondContact O-CB 3.46Å; E339-S343 PolarHBondContact O-N 2.92Å; E339-S343 PolarHBondContact O-OG 2.83Å; E340-S343 PolarHBondContact O-N 3.01Å; S343-I345 PolarHBondContact O-N 3.29Å; S343-T346 PolarHBondContact O-N 2.93Å; S343-S347 PolarHBondContact O-N 3.39Å |
| 344 | A | 93.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.2 | -45.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | I289 F307 F310 E340 A341 L348 | I289-A344 HydrophobicContact CD1-CB 4.23Å; F307-A344 HydrophobicContact CD1-CB 3.85Å; F307-A344 HydrophobicContact CE1-CB 3.93Å; F310-A344 HydrophobicContact CB-CB 3.73Å; F310-A344 HydrophobicContact CD1-CB 4.25Å; F310-A344 HydrophobicContact CD2-CB 3.96Å; F310-A344 HydrophobicContact CG-CB 3.7Å; E340-A344 WeakPolarHBondContact O-CB 3.3Å; E340-A344 PolarHBondContact O-N 3.48Å; A341-A344 PolarHBondContact O-N 3.45Å; A344-L348 HydrophobicContact CB-CD1 4.41Å; A344-L348 WeakPolarHBondContact O-CB 3.38Å; A344-L348 VanDerWaalsContact O-CG 3.22Å; A344-L348 WeakPolarHBondContact O-CG 3.13Å; A344-L348 PolarHBondContact O-N 3.09Å |
| 345 | I | 93.4 | Very high | 90.3 | Very high | 22 Ų | 22 | 64.5 Ų | 64.5 | 11% | 0.113 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58.5 | -50.9 | 175 | -74.4 | 160.2 | 0 | 0 | 0 | 110.5 | I289 A341 L342 S343 S347 L348 D349 V360 F362 | I289-I345 HydrophobicContact CD1-CG1 4.31Å; I289-I345 HydrophobicContact CG1-CD1 4.3Å; I289-I345 HydrophobicContact CG1-CG1 4.42Å; I289-I345 HydrophobicContact CG2-CG1 4.1Å; A341-I345 WeakPolarHBondContact O-CB 3.44Å; A341-I345 WeakPolarHBondContact O-CD1 3.47Å; A341-I345 VanDerWaalsContact O-CG1 3.27Å; A341-I345 WeakPolarHBondContact O-CG1 3.25Å; A341-I345 PolarHBondContact O-N 2.89Å; L342-I345 PolarHBondContact O-N 3.37Å; S343-I345 PolarHBondContact O-N 3.29Å; I345-S347 VanDerWaalsContact C-N 3.29Å; I345-S347 PolarHBondContact O-N 3.48Å; I345-L348 PolarHBondContact O-N 2.91Å; I345-D349 VanDerWaalsContact O-CB 3.25Å; I345-D349 WeakPolarHBondContact O-CB 3.39Å; I345-D349 PolarHBondContact O-N 3.42Å; I345-V360 HydrophobicContact CG1-CG1 3.96Å; I345-F362 HydrophobicContact CD1-CD1 3.79Å; I345-F362 HydrophobicContact CD1-CD2 3.55Å; I345-F362 HydrophobicContact CD1-CE1 3.74Å; I345-F362 HydrophobicContact CD1-CE2 3.49Å; I345-F362 VanDerWaalsContact CD1-CE2 3.49Å; I345-F362 HydrophobicContact CD1-CG 3.7Å; I345-F362 HydrophobicContact CD1-CZ 3.59Å |
| 346 | T | 92.1 | Very high | 90.2 | Very high | 106 Ų | 106 | 69.2 Ų | 69.2 | 65% | 0.65 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -64.8 | -31.4 | -174.2 | -53.1 | 0 | 0 | 0 | 0 | 113 | L342 S343 | L342-T346 WeakPolarHBondContact O-CB 3.22Å; L342-T346 PolarHBondContact O-N 2.9Å; L342-T346 PolarHBondContact O-OG1 3.42Å; S343-T346 PolarHBondContact O-N 2.93Å |
| 347 | S | 92.7 | Very high | 90.2 | Very high | 72 Ų | 72 | 73.7 Ų | 73.7 | 50% | 0.503 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -92.7 | -23.5 | 178.2 | -67.1 | 0 | 0 | 0 | 0 | 115 | F310 S343 I345 | F310-S347 VanDerWaalsContact CE1-CB 3.44Å; F310-S347 VanDerWaalsContact CZ-CB 3.45Å; S343-S347 PolarHBondContact O-N 3.39Å; I345-S347 VanDerWaalsContact C-N 3.29Å; I345-S347 PolarHBondContact O-N 3.48Å |
| 348 | L | 93 | Very high | 90.5 | Very high | 5 Ų | 5 | 70.1 Ų | 70.1 | 3% | 0.026 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -102.6 | -17.9 | -176.9 | -59.8 | 176.8 | 0 | 0 | 0 | 113.8 | L306 F307 F310 A344 I345 G350 F351 V360 | L306-L348 HydrophobicContact CD1-CD2 3.67Å; L306-L348 HydrophobicContact CD2-CD1 4.14Å; L306-L348 HydrophobicContact CD2-CD2 4.07Å; L306-L348 HydrophobicContact CG-CD1 3.88Å; L306-L348 HydrophobicContact CG-CD2 3.64Å; L306-L348 HydrophobicContact CG-CG 4.4Å; F307-L348 HydrophobicContact CD1-CD1 3.92Å; F307-L348 HydrophobicContact CD2-CD1 4.03Å; F307-L348 HydrophobicContact CE1-CD1 3.66Å; F307-L348 HydrophobicContact CE2-CD1 3.78Å; F307-L348 HydrophobicContact CG-CD1 4.1Å; F307-L348 HydrophobicContact CZ-CD1 3.58Å; F310-L348 HydrophobicContact CD2-CD1 4.17Å; F310-L348 HydrophobicContact CE2-CD1 3.8Å; F310-L348 HydrophobicContact CE2-CD2 3.88Å; F310-L348 HydrophobicContact CE2-CG 3.76Å; F310-L348 HydrophobicContact CZ-CD2 4.22Å; F310-L348 HydrophobicContact CZ-CG 4.13Å; A344-L348 HydrophobicContact CB-CD1 4.41Å; A344-L348 WeakPolarHBondContact O-CB 3.38Å; A344-L348 VanDerWaalsContact O-CG 3.22Å; A344-L348 WeakPolarHBondContact O-CG 3.13Å; A344-L348 PolarHBondContact O-N 3.09Å; I345-L348 PolarHBondContact O-N 2.91Å; L348-G350 PolarHBondContact O-N 3.28Å; L348-F351 HydrophobicContact CD2-CG 4.4Å; L348-F351 WeakPolarHBondContact O-CB 3.38Å; L348-F351 PolarHBondContact O-N 2.74Å; L348-F351 VanDerWaalsContact O-N 3.09Å; L348-V360 HydrophobicContact CB-CB 4.46Å; L348-V360 HydrophobicContact CB-CG1 4.44Å; L348-V360 HydrophobicContact CB-CG2 3.9Å; L348-V360 WeakPolarHBondContact O-CG2 3.46Å |
| 349 | D | 91.2 | Very high | 90.6 | Very high | 92 Ų | 92 | 69.5 Ų | 69.5 | 49% | 0.492 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | 127.2 | 171.6 | -165.9 | 48.9 | 0 | 0 | 0 | 110.4 | I345 F351 Q359 V360 | I345-D349 VanDerWaalsContact O-CB 3.25Å; I345-D349 WeakPolarHBondContact O-CB 3.39Å; I345-D349 PolarHBondContact O-N 3.42Å; D349-F351 PolarHBondContact O-N 2.92Å; D349-Q359 VanDerWaalsContact OD1-CA 3.31Å; D349-Q359 WeakPolarHBondContact OD1-CA 3.45Å; D349-V360 HydrophobicContact CB-CB 4.17Å; D349-V360 PolarHBondContact OD1-N 3.35Å |
| 350 | G | 88.9 | Confident | 90.8 | Very high | 34 Ų | 34 | 62.5 Ų | 62.5 | 35% | 0.351 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.6 | -5.1 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | L348 T352 L358 | L348-G350 PolarHBondContact O-N 3.28Å; G350-T352 PolarHBondContact O-N 3.03Å; G350-L358 WeakPolarHBondContact CA-O 3.31Å; G350-L358 PolarHBondContact N-O 2.83Å |
| 351 | F | 91.4 | Very high | 90.8 | Very high | 86 Ų | 86 | 62.5 Ų | 62.5 | 38% | 0.377 | 34% | 0.341 | S | S | . | . | trans | -59.5 | 134.8 | 178.4 | -178.4 | -92.5 | 0 | 0 | 0 | 111.4 | L306 L348 D349 L353 K357 L358 | L306-F351 HydrophobicContact CD1-CD1 4.24Å; L306-F351 HydrophobicContact CD1-CE1 3.91Å; L306-F351 HydrophobicContact CD1-CZ 4.28Å; L348-F351 HydrophobicContact CD2-CG 4.4Å; L348-F351 WeakPolarHBondContact O-CB 3.38Å; L348-F351 PolarHBondContact O-N 2.74Å; L348-F351 VanDerWaalsContact O-N 3.09Å; D349-F351 PolarHBondContact O-N 2.92Å; F351-L353 HydrophobicContact CD1-CB 4.31Å; F351-L353 HydrophobicContact CE1-CB 4.3Å; F351-L353 HydrophobicContact CE1-CD1 4.47Å; F351-L353 PolarHBondContact O-N 3.09Å; F351-K357 WeakPolarHBondContact O-CA 3.43Å; F351-L358 HydrophobicContact CD1-CD1 4.15Å; F351-L358 WeakPolarHBondContact O-CG 3.41Å; F351-L358 PolarHBondContact O-N 3.38Å | ||
| 352 | T | 89.3 | Confident | 90.8 | Very high | 90 Ų | 90 | 65.8 Ų | 65.8 | 55% | 0.552 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 109.7 | -179.2 | 48 | 0 | 0 | 0 | 0 | 111.9 | G350 R356 K357 | G350-T352 PolarHBondContact O-N 3.03Å; T352-R356 CarbonylContact C-O 3.55Å; T352-R356 WeakPolarHBondContact CA-O 3.41Å; T352-K357 HydrophobicContact CG2-CG 3.82Å |
| 353 | L | 85 | Confident | 90.6 | Very high | 15 Ų | 15 | 67 Ų | 67 | 8% | 0.079 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 128.3 | 171.6 | -172.9 | 69.5 | 0 | 0 | 0 | 108.6 | V298 F351 N355 R356 L358 | V298-L353 HydrophobicContact CG2-CD2 3.81Å; F351-L353 HydrophobicContact CD1-CB 4.31Å; F351-L353 HydrophobicContact CE1-CB 4.3Å; F351-L353 HydrophobicContact CE1-CD1 4.47Å; F351-L353 PolarHBondContact O-N 3.09Å; L353-N355 VanDerWaalsContact C-N 3.34Å; L353-N355 PolarHBondContact O-N 3.25Å; L353-R356 PolarHBondContact N-O 3.26Å; L353-R356 WeakPolarHBondContact O-CA 3.32Å; L353-R356 WeakPolarHBondContact O-CB 3.47Å; L353-R356 PolarHBondContact O-N 3.13Å; L353-L358 HydrophobicContact CB-CD1 4.22Å; L353-L358 HydrophobicContact CB-CD2 4.15Å; L353-L358 HydrophobicContact CB-CG 4.17Å; L353-L358 HydrophobicContact CD2-CD1 4.35Å; L353-L358 HydrophobicContact CD2-CD2 4.4Å |
| 354 | D | 84.6 | Confident | 89.8 | Confident | 86 Ų | 86 | 70.2 Ų | 70.2 | 46% | 0.46 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 48.9 | 179.2 | -48 | -28.1 | 0 | 0 | 0 | 113.8 | S295 R356 | S295-D354 WeakPolarHBondContact CB-OD2 3.37Å; D354-R356 PolarHBondContact O-N 3.11Å; D354-R356 VanDerWaalsContact O-N 3.07Å |
| 355 | N | 86.6 | Confident | 88.1 | Confident | 171 Ų | 171 | 74.3 Ų | 74.3 | 91% | 0.914 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.7 | 14.1 | -175.2 | -68.3 | 66.1 | 0 | 0 | 0 | 115.2 | L353 | L353-N355 VanDerWaalsContact C-N 3.34Å; L353-N355 PolarHBondContact O-N 3.25Å |
| 356 | R | 88 | Confident | 86 | Confident | 99 Ų | 99 | 79.1 Ų | 79.1 | 37% | 0.374 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 135.4 | 176.7 | -63.4 | 177.3 | -177.7 | -150.1 | -8.1 | 110.5 | N293 L294 T352 L353 D354 L358 | N293-R356 WeakPolarHBondContact O-CB 3.34Å; N293-R356 WeakPolarHBondContact O-CD 3.2Å; L294-R356 PolarHBondContact O-NH1 3.05Å; L294-R356 VanDerWaalsContact O-NH1 3.09Å; T352-R356 CarbonylContact C-O 3.55Å; T352-R356 WeakPolarHBondContact CA-O 3.41Å; L353-R356 PolarHBondContact N-O 3.26Å; L353-R356 WeakPolarHBondContact O-CA 3.32Å; L353-R356 WeakPolarHBondContact O-CB 3.47Å; L353-R356 PolarHBondContact O-N 3.13Å; D354-R356 PolarHBondContact O-N 3.11Å; D354-R356 VanDerWaalsContact O-N 3.07Å; R356-L358 PolarHBondContact O-N 2.81Å |
| 357 | K | 90.8 | Very high | 83.7 | Confident | 139 Ų | 139 | 79.5 Ų | 79.5 | 60% | 0.604 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 118.5 | 170.1 | -68.6 | -171.1 | 177.1 | -170.3 | 0 | 109.1 | N293 F351 T352 | N293-K357 WeakPolarHBondContact CB-O 3.47Å; N293-K357 PolarHBondContact ND2-O 2.87Å; F351-K357 WeakPolarHBondContact O-CA 3.43Å; T352-K357 HydrophobicContact CG2-CG 3.82Å |
| 358 | L | 93 | Very high | 81.3 | Confident | 2 Ų | 2 | 86.3 Ų | 86.3 | 1% | 0.01 | 45% | 0.454 | C | S | . | . | trans | -63.9 | 146.6 | 174.1 | -60.2 | -174.4 | 0 | 0 | 0 | 110.1 | L294 L306 G350 F351 L353 R356 V360 | L294-L358 HydrophobicContact CD2-CD2 3.68Å; L306-L358 HydrophobicContact CD2-CD1 3.61Å; G350-L358 WeakPolarHBondContact CA-O 3.31Å; G350-L358 PolarHBondContact N-O 2.83Å; F351-L358 HydrophobicContact CD1-CD1 4.15Å; F351-L358 WeakPolarHBondContact O-CG 3.41Å; F351-L358 PolarHBondContact O-N 3.38Å; L353-L358 HydrophobicContact CB-CD1 4.22Å; L353-L358 HydrophobicContact CB-CD2 4.15Å; L353-L358 HydrophobicContact CB-CG 4.17Å; L353-L358 HydrophobicContact CD2-CD1 4.35Å; L353-L358 HydrophobicContact CD2-CD2 4.4Å; R356-L358 PolarHBondContact O-N 2.81Å; L358-V360 HydrophobicContact CB-CG2 4.01Å | ||
| 359 | Q | 92 | Very high | 78.7 | Confident | 111 Ų | 111 | 95.7 Ų | 95.7 | 52% | 0.519 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 119.3 | 167 | -75.2 | -179.1 | -23.5 | 0 | 0 | 107.8 | V291 Y292 D349 | V291-Q359 CarbonylContact C-O 3.57Å; V291-Q359 WeakPolarHBondContact CA-O 3.17Å; Y292-Q359 VanDerWaalsContact CD1-OE1 3.29Å; Y292-Q359 PolarHBondContact N-O 3.43Å; Y292-Q359 PolarHBondContact O-N 2.92Å; D349-Q359 VanDerWaalsContact OD1-CA 3.31Å; D349-Q359 WeakPolarHBondContact OD1-CA 3.45Å |
| 360 | V | 94.2 | Very high | 76.1 | Confident | 4 Ų | 4 | 99.5 Ų | 99.5 | 2% | 0.024 | 51% | 0.513 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 121.8 | -169.8 | -168.8 | 0 | 0 | 0 | 0 | 108.8 | I289 F290 V291 F307 I345 L348 D349 L358 | I289-V360 HydrophobicContact CG2-CG1 3.42Å; I289-V360 VanDerWaalsContact CG2-CG1 3.42Å; F290-V360 WeakPolarHBondContact O-CA 3.29Å; V291-V360 HydrophobicContact CG1-CG2 4.38Å; F307-V360 HydrophobicContact CE1-CG1 4.34Å; F307-V360 HydrophobicContact CZ-CG1 4.02Å; I345-V360 HydrophobicContact CG1-CG1 3.96Å; L348-V360 HydrophobicContact CB-CB 4.46Å; L348-V360 HydrophobicContact CB-CG1 4.44Å; L348-V360 HydrophobicContact CB-CG2 3.9Å; L348-V360 WeakPolarHBondContact O-CG2 3.46Å; D349-V360 HydrophobicContact CB-CB 4.17Å; D349-V360 PolarHBondContact OD1-N 3.35Å; L358-V360 HydrophobicContact CB-CG2 4.01Å |
| 361 | S | 92.1 | Very high | 73.4 | Confident | 49 Ų | 49 | 110.5 Ų | 110.5 | 34% | 0.343 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -153.5 | 160.6 | -173 | 53.5 | 0 | 0 | 0 | 0 | 111.5 | I289 F290 K363 | I289-S361 CarbonylContact C-O 3.58Å; I289-S361 WeakPolarHBondContact CA-O 3.34Å; I289-S361 WeakPolarHBondContact CG2-O 3.43Å; F290-S361 PolarHBondContact N-O 3.09Å; F290-S361 PolarHBondContact O-N 3.17Å; S361-K363 PolarHBondContact O-N 2.87Å |
| 362 | F | 92.1 | Very high | 72.5 | Confident | 68 Ų | 68 | 111.8 Ų | 111.8 | 30% | 0.298 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -63.8 | 137.4 | 168.7 | -72.4 | -68.9 | 0 | 0 | 0 | 110.6 | F287 Y338 A341 L342 I345 T364 | F287-F362 HydrophobicContact CB-CE1 4.26Å; Y338-F362 HydrophobicContact CD2-CE1 4.11Å; Y338-F362 AromaticContact CD2-CZ 3.84Å; Y338-F362 HydrophobicContact CD2-CZ 3.84Å; Y338-F362 AromaticContact CE2-CE1 3.98Å; Y338-F362 HydrophobicContact CE2-CE1 3.98Å; Y338-F362 AromaticContact CE2-CE2 3.87Å; Y338-F362 HydrophobicContact CE2-CE2 3.87Å; Y338-F362 AromaticContact CE2-CZ 3.41Å; Y338-F362 HydrophobicContact CE2-CZ 3.41Å; Y338-F362 VanDerWaalsContact CE2-CZ 3.41Å; A341-F362 HydrophobicContact CB-CE1 3.74Å; A341-F362 HydrophobicContact CB-CZ 4.16Å; L342-F362 HydrophobicContact CB-CZ 4.34Å; L342-F362 HydrophobicContact CD1-CE2 4.01Å; L342-F362 HydrophobicContact CD1-CZ 4.48Å; I345-F362 HydrophobicContact CD1-CD1 3.79Å; I345-F362 HydrophobicContact CD1-CD2 3.55Å; I345-F362 HydrophobicContact CD1-CE1 3.74Å; I345-F362 HydrophobicContact CD1-CE2 3.49Å; I345-F362 VanDerWaalsContact CD1-CE2 3.49Å; I345-F362 HydrophobicContact CD1-CG 3.7Å; I345-F362 HydrophobicContact CD1-CZ 3.59Å; F362-T364 PolarHBondContact O-N 3.07Å |
| 363 | K | 86 | Confident | 71.6 | Confident | 100 Ų | 100 | 112.9 Ų | 112.9 | 44% | 0.435 | 57% | 0.565 | S | S | . | * | trans | -67.9 | 102.2 | 179.9 | 177.7 | -167 | 175.1 | -170.1 | 0 | 110.7 | P288 F290 F332 S361 | P288-K363 HydrophobicContact CB-CB 3.92Å; P288-K363 HydrophobicContact CB-CD 3.77Å; P288-K363 HydrophobicContact CG-CB 4.03Å; P288-K363 HydrophobicContact CG-CD 4.08Å; P288-K363 WeakPolarHBondContact O-CB 3.48Å; P288-K363 PolarHBondContact O-N 3.5Å; F290-K363 HydrophobicContact CB-CB 4.44Å; F332-K363 HydrophobicContact CD1-CD 3.83Å; F332-K363 HydrophobicContact CD1-CG 4.09Å; F332-K363 HydrophobicContact CE1-CD 3.93Å; F332-K363 HydrophobicContact CE1-CG 3.88Å; S361-K363 PolarHBondContact O-N 2.87Å | ||
| 364 | T | 76.6 | Confident | 70.8 | Confident | 123 Ų | 123 | 118.3 Ų | 118.3 | 76% | 0.755 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 135.3 | 171.5 | -41.7 | 0 | 0 | 0 | 0 | 111.3 | F362 N366 | F362-T364 PolarHBondContact O-N 3.07Å; T364-N366 PolarHBondContact O-N 2.89Å |
| 365 | A | 57.3 | Low | 70 | Confident | 86 Ų | 86 | 120.2 Ų | 120.2 | 71% | 0.711 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 126.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | P367 | A365-P367 WeakPolarHBondContact O-CD 3.45Š|
| 366 | N | 50.2 | Low | 69 | Low | 124 Ų | 124 | 117.1 Ų | 117.1 | 66% | 0.663 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 118.2 | -177.7 | -178.5 | 1.5 | 0 | 0 | 0 | 110.6 | T364 R368 | T364-N366 PolarHBondContact O-N 2.89Å; N366-R368 PolarHBondContact O-N 3.28Å; N366-R368 PolarHBondContact OD1-N 3.49Å |
| 367 | P | 43.8 | Very low | 67.7 | Low | 113 Ų | 113 | 118.3 Ų | 118.3 | 73% | 0.734 | 59% | 0.594 | S | S | * | * | trans | -73.6 | -3.5 | -175.6 | 29.3 | -35.5 | 0 | 0 | 0 | 114.3 | A365 K369 | A365-P367 WeakPolarHBondContact O-CD 3.45Å; P367-K369 PolarHBondContact O-N 3.5Å | ||
| 368 | R | 40.6 | Very low | 66.1 | Low | 215 Ų | 215 | 116.8 Ų | 116.8 | 81% | 0.811 | 59% | 0.593 | S | S | * | * | trans | -82.9 | 79.1 | -174.8 | -62.5 | -175.5 | -174.9 | 177.1 | 2.7 | 113 | N366 | N366-R368 PolarHBondContact O-N 3.28Å; N366-R368 PolarHBondContact OD1-N 3.49Å | ||
| 369 | K | 39.6 | Very low | 64 | Low | 203 Ų | 203 | 125.6 Ų | 125.6 | 88% | 0.883 | 64% | 0.638 | S | S | * | * | trans | -159.2 | 44.2 | 160.3 | -120.5 | -180 | -170.4 | -173.6 | 0 | 115 | P367 | P367-K369 PolarHBondContact O-N 3.5Š| ||
| 370 | I | 37.1 | Very low | 61.7 | Low | 171 Ų | 171 | 126.8 Ų | 126.8 | 88% | 0.877 | 65% | 0.648 | S | S | * | * | trans | -135.4 | 83.3 | 167.2 | -52.6 | 175.2 | 0 | 0 | 0 | 108.4 | ||||
| 371 | Q | 30.6 | Very low | 58.7 | Low | 266 Ų | 266 | 138 Ų | 138 | 100% | 1.243 | 71% | 0.705 | S | S | * | * | trans | -162.4 | 0 | 155.9 | -159.3 | 161.8 | 18.7 | 0 | 0 | 108.8 |
Retrieved 371 of 371 residues in 94.6 ms
(Link to these results)