| 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 | 43.1 | Very low | 34.8 | Very low | 233 Ų | 233 | 143.6 Ų | 143.6 | 100% | 1.148 | 83% | 0.832 | S | S | * | * | 0 | 119.6 | 0 | -75.3 | 177.8 | -173.2 | 0 | 0 | 107 | T3 | M1-T3 PolarHBondContact O-N 3.34Š| |||
| 2 | I | 32.8 | Very low | 34.6 | Very low | 166 Ų | 166 | 141.1 Ų | 141.1 | 85% | 0.851 | 82% | 0.824 | S | S | * | * | trans | -83.7 | 107.9 | -179.2 | -61.2 | 169.6 | 0 | 0 | 0 | 106.3 | ||||
| 3 | T | 36.1 | Very low | 34.5 | Very low | 131 Ų | 131 | 138.2 Ų | 138.2 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | trans | -105.8 | 100.6 | 173.2 | -47.1 | 0 | 0 | 0 | 0 | 107.9 | M1 A5 | M1-T3 PolarHBondContact O-N 3.34Å; T3-A5 PolarHBondContact O-N 3.09Å | ||
| 4 | T | 36 | Very low | 35 | Very low | 124 Ų | 124 | 133.9 Ų | 133.9 | 76% | 0.761 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 116.4 | 169.5 | 22.8 | 0 | 0 | 0 | 0 | 109.2 | ||
| 5 | A | 34.3 | Very low | 35.6 | Very low | 99 Ų | 99 | 134.3 Ų | 134.3 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 126.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | T3 | T3-A5 PolarHBondContact O-N 3.09Š|
| 6 | L | 35.3 | Very low | 36.6 | Very low | 166 Ų | 166 | 130.6 Ų | 130.6 | 87% | 0.869 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 143.6 | 171.2 | -80 | 154.6 | 0 | 0 | 0 | 110.1 | ||
| 7 | P | 33 | Very low | 37.8 | Very low | 104 Ų | 104 | 127 Ų | 127 | 68% | 0.675 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 155 | 176.2 | 29.4 | -32.2 | 0 | 0 | 0 | 111 | Q9 | P7-Q9 PolarHBondContact O-N 2.88Š|
| 8 | P | 36.7 | Very low | 38.6 | Very low | 126 Ų | 126 | 125.9 Ų | 125.9 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 133 | -177.9 | 25.6 | -31.5 | 0 | 0 | 0 | 110.6 | T10 | P8-T10 PolarHBondContact O-N 3.35Š|
| 9 | Q | 32.4 | Very low | 39.5 | Very low | 190 Ų | 190 | 121.1 Ų | 121.1 | 89% | 0.888 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 131.1 | 175.9 | -65.7 | -175.3 | 25 | 0 | 0 | 109.7 | P7 | P7-Q9 PolarHBondContact O-N 2.88Š|
| 10 | T | 30.3 | Very low | 40 | Very low | 131 Ų | 131 | 117.4 Ų | 117.4 | 80% | 0.804 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 131.5 | 171.9 | -2.7 | 0 | 0 | 0 | 0 | 108.6 | P8 | P8-T10 PolarHBondContact O-N 3.35Š|
| 11 | P | 32.7 | Very low | 40.1 | Very low | 110 Ų | 110 | 116.9 Ų | 116.9 | 71% | 0.714 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 148.1 | 173.5 | 26 | -31.1 | 0 | 0 | 0 | 109.5 | ||
| 12 | P | 32.3 | Very low | 40 | Very low | 113 Ų | 113 | 111.6 Ų | 111.6 | 73% | 0.734 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 149.8 | -179.1 | 24.7 | -32.8 | 0 | 0 | 0 | 110.8 | V14 | P12-V14 WeakPolarHBondContact O-CG2 3.28Å; P12-V14 PolarHBondContact O-N 3.42Å |
| 13 | A | 33.7 | Very low | 40.1 | Very low | 104 Ų | 104 | 108.9 Ų | 108.9 | 86% | 0.86 | 67% | 0.667 | S | S | * | * | trans | -57.9 | 108.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 14 | V | 41.3 | Very low | 39.8 | Very low | 78 Ų | 78 | 106.3 Ų | 106.3 | 47% | 0.473 | 66% | 0.659 | S | S | . | * | trans | -85.2 | 115.1 | -179.1 | -176.8 | 0 | 0 | 0 | 0 | 108.6 | P12 V16 V173 | P12-V14 WeakPolarHBondContact O-CG2 3.28Å; P12-V14 PolarHBondContact O-N 3.42Å; V14-V16 PolarHBondContact O-N 3.31Å; V14-V173 HydrophobicContact CG1-CB 3.66Å; V14-V173 HydrophobicContact CG1-CG2 3.49Å; V14-V173 VanDerWaalsContact CG1-CG2 3.49Å | ||
| 15 | N | 44.4 | Very low | 39.7 | Very low | 140 Ų | 140 | 106.1 Ų | 106.1 | 75% | 0.749 | 66% | 0.659 | S | S | * | * | trans | -69.8 | 115.1 | 169.6 | -80.5 | -21.8 | 0 | 0 | 0 | 108.8 | ||||
| 16 | V | 51.5 | Low | 39.6 | Very low | 74 Ų | 74 | 107.9 Ų | 107.9 | 45% | 0.448 | 66% | 0.66 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -77.2 | 120 | 171.2 | -178.3 | 0 | 0 | 0 | 0 | 107.8 | V14 M123 | V14-V16 PolarHBondContact O-N 3.31Å; V16-M123 HydrophobicContact CG1-CE 4.41Å; V16-M123 HydrophobicContact CG2-CE 4.24Å |
| 17 | L | 57.7 | Low | 39.6 | Very low | 70 Ų | 70 | 107.9 Ų | 107.9 | 37% | 0.366 | 66% | 0.661 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89 | 123 | 177.6 | -71.8 | 167.8 | 0 | 0 | 0 | 109.6 | E172 V173 F174 | L17-E172 VanDerWaalsContact CD1-OE2 3.28Å; L17-E172 WeakPolarHBondContact CD1-OE2 3.14Å; L17-V173 PolarHBondContact N-O 3.5Å; L17-F174 HydrophobicContact CB-CD1 4.19Å; L17-F174 HydrophobicContact CB-CE1 4.35Å; L17-F174 HydrophobicContact CD1-CE1 3.95Å |
| 18 | P | 51.3 | Low | 39.7 | Very low | 107 Ų | 107 | 106.2 Ų | 106.2 | 70% | 0.695 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 146.7 | 173.1 | 28.3 | -32.4 | 0 | 0 | 0 | 110.3 | ||
| 19 | C | 55.1 | Low | 39.8 | Very low | 34 Ų | 34 | 110.2 Ų | 110.2 | 23% | 0.23 | 67% | 0.667 | C | S | . | * | P | Polyproline II helix | trans | -67.1 | 145 | 174.4 | -74.9 | 0 | 0 | 0 | 0 | 110.8 | H155 Y156 C157 S175 | C19-H155 HydrophobicContact CB-CB 4.43Å; C19-Y156 CarbonylContact C-O 3.56Å; C19-Y156 WeakPolarHBondContact CA-O 3.38Å; C19-Y156 WeakPolarHBondContact CB-O 3.33Å; C19-Y156 VanDerWaalsContact SG-C 3.6Å; C19-C157 WeakPolarHBondContact CA-SG 3.42Å; C19-C157 HydrophobicContact CB-CB 4.43Å; C19-C157 WeakPolarHBondContact CB-SG 3.4Å; C19-C157 PolarHBondContact N-SG 3.32Å; C19-C157 WeakPolarHBondContact SG-CB 3.31Å; C19-C157 PolarHBondContact SG-N 3.4Å; C19-C157 VanDerWaalsContact SG-N 3.44Å; C19-C157 CovalentContact SG-SG 2.08Å; C19-C157 PolarHBondContact SG-SG 3.44Å; C19-S175 PolarHBondContact SG-O 3.3Å; C19-S175 VanDerWaalsContact SG-O 3.37Å |
| 20 | A | 50 | Low | 39.7 | Very low | 47 Ų | 47 | 108.2 Ų | 108.2 | 39% | 0.388 | 66% | 0.663 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.8 | 141.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111 | Y156 | A20-Y156 PolarHBondContact N-O 2.93Å; A20-Y156 PolarHBondContact O-N 3.18Å |
| 21 | D | 41.6 | Very low | 40.1 | Very low | 108 Ų | 108 | 108.8 Ų | 108.8 | 58% | 0.578 | 67% | 0.666 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -84 | 132.1 | 170.7 | -73 | -21.1 | 0 | 0 | 0 | 110.7 | S23 H155 | D21-S23 VanDerWaalsContact C-N 3.34Å; D21-S23 PolarHBondContact O-N 2.92Å; D21-H155 IonicContact OD1-CD2 3.02Å; D21-H155 PolarHBondContact OD1-CD2 2.87Å; D21-H155 IonicContact OD1-CE1 3.38Å; D21-H155 IonicContact OD1-CG 2.84Å; D21-H155 IonicContact OD1-NE2 2.95Å; D21-H155 PolarHBondContact OD1-NE2 2.53Å |
| 22 | E | 40.7 | Very low | 40.1 | Very low | 122 Ų | 122 | 111 Ų | 111 | 57% | 0.57 | 67% | 0.672 | S | S | * | * | trans | -76.6 | 83.2 | 173.2 | -161.2 | 172.2 | 154.9 | 0 | 0 | 110.7 | H154 Y156 | E22-H154 PolarHBondContact N-O 3.2Å; E22-Y156 HydrophobicContact CB-CE1 4.34Å | ||
| 23 | S | 36.1 | Very low | 40.4 | Very low | 109 Ų | 109 | 110.8 Ų | 110.8 | 76% | 0.762 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 116.8 | 153.9 | 45.2 | 0 | 0 | 0 | 0 | 107.8 | D21 | D21-S23 VanDerWaalsContact C-N 3.34Å; D21-S23 PolarHBondContact O-N 2.92Å |
| 24 | A | 30.4 | Very low | 40.7 | Very low | 77 Ų | 77 | 112.4 Ų | 112.4 | 64% | 0.636 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 140.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V26 | A24-V26 PolarHBondContact O-N 2.96Š|
| 25 | P | 32.1 | Very low | 40.6 | Very low | 119 Ų | 119 | 116 Ų | 116 | 77% | 0.773 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 116.4 | 167 | 29.6 | -27.1 | 0 | 0 | 0 | 108 | D27 | P25-D27 PolarHBondContact O-N 2.62Š|
| 26 | V | 34.2 | Very low | 40.2 | Very low | 136 Ų | 136 | 112.6 Ų | 112.6 | 82% | 0.824 | 68% | 0.682 | S | S | * | * | trans | -70.5 | 108.9 | 166.9 | 176.1 | 0 | 0 | 0 | 0 | 107.4 | A24 G28 | A24-V26 PolarHBondContact O-N 2.96Å; V26-G28 PolarHBondContact O-N 2.59Å | ||
| 27 | D | 34.9 | Very low | 39.5 | Very low | 166 Ų | 166 | 117.4 Ų | 117.4 | 89% | 0.888 | 71% | 0.705 | S | S | * | * | trans | -62 | 112.5 | 161.3 | -80.5 | -42.6 | 0 | 0 | 0 | 108.5 | P25 | P25-D27 PolarHBondContact O-N 2.62Š| ||
| 28 | G | 35.1 | Very low | 38.4 | Very low | 70 Ų | 70 | 117.1 Ų | 117.1 | 72% | 0.722 | 72% | 0.719 | S | S | * | * | trans | -142.6 | 102.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | V26 | V26-G28 PolarHBondContact O-N 2.59Š| ||
| 29 | K | 37.4 | Very low | 37.7 | Very low | 209 Ų | 209 | 122.2 Ų | 122.2 | 91% | 0.909 | 73% | 0.731 | S | S | * | * | trans | -48.9 | 148.8 | 173.4 | -91.6 | 169 | 168.5 | 171.8 | 0 | 114 | ||||
| 30 | D | 31.6 | Very low | 36.7 | Very low | 149 Ų | 149 | 128.4 Ų | 128.4 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | trans | -42.5 | 136.8 | 162.1 | -54.4 | -62.9 | 0 | 0 | 0 | 113.4 | ||||
| 31 | T | 38.4 | Very low | 36.1 | Very low | 142 Ų | 142 | 131 Ų | 131 | 87% | 0.871 | 77% | 0.774 | S | S | * | * | 177.9 | 143.1 | 116.7 | 31.4 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 32 | N | 31.7 | Very low | 35.7 | Very low | 156 Ų | 156 | 131.5 Ų | 131.5 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | trans | -30.1 | 159 | 176.7 | -76.2 | -23.7 | 0 | 0 | 0 | 121.4 | ||||
| 33 | S | 39.3 | Very low | 35.4 | Very low | 109 Ų | 109 | 132.6 Ų | 132.6 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | trans | 107.7 | 114.3 | 136.3 | 62.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 34 | D | 39.5 | Very low | 35.4 | Very low | 139 Ų | 139 | 136.3 Ų | 136.3 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | trans | 69.7 | 122.1 | 136.4 | -76.3 | -11 | 0 | 0 | 0 | 123.3 | ||||
| 35 | D | 40.3 | Very low | 35.7 | Very low | 153 Ų | 153 | 136.3 Ų | 136.3 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | 78.3 | 124.6 | 132 | -64.8 | -21.2 | 0 | 0 | 0 | 121.3 | ||||
| 36 | G | 36.1 | Very low | 36.1 | Very low | 69 Ų | 69 | 139.3 Ų | 139.3 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | trans | 134.6 | 86.3 | 135.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 37 | N | 37.2 | Very low | 36.2 | Very low | 174 Ų | 174 | 138.8 Ų | 138.8 | 93% | 0.93 | 79% | 0.786 | S | S | * | * | trans | 36.2 | 129.4 | 138.6 | -80.5 | 1.4 | 0 | 0 | 0 | 121.1 | ||||
| 38 | G | 34.5 | Very low | 36.5 | Very low | 64 Ų | 64 | 139.7 Ų | 139.7 | 66% | 0.66 | 78% | 0.782 | S | S | * | * | 137 | 104.2 | 113.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 39 | F | 35.6 | Very low | 36.6 | Very low | 215 Ų | 215 | 140.4 Ų | 140.4 | 94% | 0.943 | 78% | 0.781 | S | S | * | * | trans | 88.3 | 135.2 | 139.2 | -86.5 | -95.1 | 0 | 0 | 0 | 122.4 | ||||
| 40 | L | 33.9 | Very low | 36.6 | Very low | 163 Ų | 163 | 139.2 Ų | 139.2 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | trans | -88.6 | 172.1 | -164.3 | -82.9 | 163.2 | 0 | 0 | 0 | 114.5 | ||||
| 41 | P | 37.9 | Very low | 37 | Very low | 102 Ų | 102 | 135.9 Ų | 135.9 | 66% | 0.662 | 78% | 0.782 | S | S | * | * | trans | -105.7 | -167.9 | -166.6 | 40.8 | -32 | 0 | 0 | 0 | 114.5 | ||||
| 42 | T | 32.1 | Very low | 36.8 | Very low | 119 Ų | 119 | 135.5 Ų | 135.5 | 73% | 0.73 | 78% | 0.78 | S | S | * | * | trans | 97 | 128.3 | 167.4 | 65.5 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 43 | L | 34.6 | Very low | 37.3 | Very low | 145 Ų | 145 | 133.5 Ų | 133.5 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | -176.8 | 128.1 | 118 | -100.7 | 133 | 0 | 0 | 0 | 112.7 | |||||
| 44 | F | 36.5 | Very low | 37.3 | Very low | 187 Ų | 187 | 138 Ų | 138 | 82% | 0.82 | 78% | 0.784 | S | S | * | * | trans | 39 | 154.1 | 132.7 | -68.1 | -106.2 | 0 | 0 | 0 | 120.9 | ||||
| 45 | A | 37.1 | Very low | 37.5 | Very low | 77 Ų | 77 | 137.5 Ų | 137.5 | 64% | 0.636 | 79% | 0.791 | S | S | * | * | cis | 171.4 | 172.1 | -11.7 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 46 | K | 39.5 | Very low | 37.3 | Very low | 181 Ų | 181 | 135.5 Ų | 135.5 | 79% | 0.787 | 79% | 0.789 | S | S | * | * | trans | 92.9 | 109.5 | 147 | -74.7 | -174.9 | 168.8 | 178.9 | 0 | 121.8 | ||||
| 47 | D | 37.5 | Very low | 37.4 | Very low | 125 Ų | 125 | 137 Ų | 137 | 67% | 0.668 | 79% | 0.787 | S | S | * | * | 106.2 | 135.4 | 103.2 | -78 | -14.7 | 0 | 0 | 0 | 122.6 | |||||
| 48 | K | 40.1 | Very low | 37.3 | Very low | 186 Ų | 186 | 137.1 Ų | 137.1 | 81% | 0.809 | 78% | 0.782 | S | S | * | * | trans | 85.7 | 114.1 | 147.9 | -79.1 | 171 | 176 | 179.8 | 0 | 118.9 | ||||
| 49 | A | 38 | Very low | 37.4 | Very low | 85 Ų | 85 | 139.3 Ų | 139.3 | 70% | 0.702 | 79% | 0.788 | S | S | * | * | 75.5 | 143.1 | 68.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 50 | M | 37.8 | Very low | 37.6 | Very low | 183 Ų | 183 | 134.3 Ų | 134.3 | 90% | 0.901 | 78% | 0.78 | S | S | * | * | cis | -168.4 | 157.5 | 6 | -151.5 | 177.7 | -72.3 | 0 | 0 | 105.9 | ||||
| 51 | G | 38.8 | Very low | 38.2 | Very low | 80 Ų | 80 | 132.3 Ų | 132.3 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | trans | 175.9 | 101.6 | 166.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 52 | T | 35.8 | Very low | 38.9 | Very low | 133 Ų | 133 | 132 Ų | 132 | 82% | 0.816 | 78% | 0.775 | S | S | * | * | trans | -103.2 | 153.9 | 179.7 | 41.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 53 | S | 42.5 | Very low | 39.1 | Very low | 114 Ų | 114 | 138.6 Ų | 138.6 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | trans | 175.4 | 106.9 | 146.8 | -74.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 54 | K | 39.1 | Very low | 39.2 | Very low | 205 Ų | 205 | 136.5 Ų | 136.5 | 89% | 0.891 | 78% | 0.784 | S | S | * | * | 70.9 | 114.6 | 91.7 | -78.7 | -170.4 | 178.4 | -178.3 | 0 | 116.5 | |||||
| 55 | S | 43 | Very low | 39.4 | Very low | 127 Ų | 127 | 135.9 Ų | 135.9 | 89% | 0.888 | 78% | 0.783 | S | S | * | * | 175.3 | 140 | 112.3 | 62.6 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 56 | S | 35.7 | Very low | 39.6 | Very low | 111 Ų | 111 | 137.2 Ų | 137.2 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | -104.6 | 167.1 | -175.6 | 48.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 57 | C | 38.7 | Very low | 39.4 | Very low | 100 Ų | 100 | 135.4 Ų | 135.4 | 68% | 0.676 | 78% | 0.784 | S | S | * | * | trans | 166.1 | 116.7 | 138.5 | -87.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 58 | E | 35.3 | Very low | 39.5 | Very low | 177 Ų | 177 | 135.2 Ų | 135.2 | 83% | 0.827 | 79% | 0.793 | S | S | * | * | 68.1 | 139.2 | 88.5 | -74.1 | 173.8 | 134.3 | 0 | 0 | 113.3 | |||||
| 59 | S | 36 | Very low | 39.3 | Very low | 111 Ų | 111 | 137.7 Ų | 137.7 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | cis | -177.5 | 155.2 | 0.3 | 46.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 60 | S | 39.8 | Very low | 39.8 | Very low | 110 Ų | 110 | 139 Ų | 139 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | -61.5 | -161.3 | 174.8 | -43.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 61 | P | 46.4 | Very low | 39.6 | Very low | 120 Ų | 120 | 138.8 Ų | 138.8 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | cis | -151.9 | -133.5 | 14.9 | 34.4 | -2.5 | 0 | 0 | 0 | 115.8 | ||||
| 62 | P | 52.5 | Low | 39.5 | Very low | 97 Ų | 97 | 139.8 Ų | 139.8 | 63% | 0.63 | 79% | 0.791 | S | S | * | * | -133.7 | 171.7 | -110.2 | 42.9 | -23.3 | 0 | 0 | 0 | 116.1 | |||||
| 63 | W | 37.2 | Very low | 39.4 | Very low | 257 Ų | 257 | 138.3 Ų | 138.3 | 97% | 0.973 | 79% | 0.786 | S | S | * | * | trans | -157.4 | 161.3 | 157.3 | -77.2 | 99.4 | 0 | 0 | 0 | 114 | ||||
| 64 | S | 36 | Very low | 39 | Very low | 101 Ų | 101 | 139.8 Ų | 139.8 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | trans | -126.3 | 159.1 | -144 | 43.2 | 0 | 0 | 0 | 0 | 117 | ||||
| 65 | Q | 41 | Very low | 38.6 | Very low | 174 Ų | 174 | 137.6 Ų | 137.6 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | trans | -12.2 | 170.9 | 157.6 | -92.4 | -165.3 | 4.1 | 0 | 0 | 122.9 | ||||
| 66 | P | 41.5 | Very low | 38 | Very low | 105 Ų | 105 | 137.7 Ų | 137.7 | 68% | 0.682 | 77% | 0.773 | S | S | * | * | cis | -157.1 | 173.6 | 49.2 | 41 | -16.6 | 0 | 0 | 0 | 122.5 | ||||
| 67 | D | 35.9 | Very low | 37.8 | Very low | 143 Ų | 143 | 137.7 Ų | 137.7 | 77% | 0.765 | 77% | 0.773 | S | S | * | * | trans | 50 | 146.1 | 145.3 | -64.4 | -26.5 | 0 | 0 | 0 | 123.1 | ||||
| 68 | S | 39.1 | Very low | 37.5 | Very low | 121 Ų | 121 | 141.3 Ų | 141.3 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | cis | -170.6 | 166.5 | 31.7 | 39.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 69 | R | 35 | Very low | 37.4 | Very low | 238 Ų | 238 | 138 Ų | 138 | 90% | 0.898 | 78% | 0.78 | S | S | * | * | trans | -84.8 | -166.9 | -174.7 | -86.1 | -174.9 | -166.1 | -175.3 | 4.6 | 115.6 | ||||
| 70 | P | 49.2 | Very low | 37.2 | Very low | 111 Ų | 111 | 144.9 Ų | 144.9 | 72% | 0.721 | 79% | 0.789 | S | S | * | * | cis | -140.9 | -178.6 | -38.8 | 34.6 | -13.9 | 0 | 0 | 0 | 116.6 | ||||
| 71 | M | 34.5 | Very low | 37 | Very low | 179 Ų | 179 | 147 Ų | 147 | 88% | 0.882 | 79% | 0.79 | S | S | * | * | 117.7 | 135.2 | 129.6 | -139.4 | -179.8 | -174.4 | 0 | 0 | 122.6 | |||||
| 72 | S | 35.1 | Very low | 36.6 | Very low | 101 Ų | 101 | 145.9 Ų | 145.9 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | 91.5 | 111.2 | 151.7 | 80.3 | 0 | 0 | 0 | 0 | 119 | ||||
| 73 | S | 34.2 | Very low | 36 | Very low | 102 Ų | 102 | 146.2 Ų | 146.2 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | 78.1 | 134.5 | 79.8 | 86 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 74 | L | 33.9 | Very low | 36.2 | Very low | 145 Ų | 145 | 140.1 Ų | 140.1 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | cis | -165.8 | 147.4 | 9.9 | -99.1 | 150.9 | 0 | 0 | 0 | 109 | ||||
| 75 | Q | 31 | Very low | 36.6 | Very low | 160 Ų | 160 | 137.9 Ų | 137.9 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | 57.5 | 104.7 | 128.8 | -148.8 | 164.2 | 5.4 | 0 | 0 | 120.5 | |||||
| 76 | T | 31 | Very low | 36.5 | Very low | 129 Ų | 129 | 135 Ų | 135 | 79% | 0.791 | 74% | 0.74 | S | S | * | * | 85.5 | 117.8 | 85.1 | -49.9 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 77 | S | 30.9 | Very low | 36.6 | Very low | 111 Ų | 111 | 134 Ų | 134 | 78% | 0.776 | 73% | 0.726 | S | S | * | * | -173.9 | 111.7 | 121.5 | 72.8 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 78 | L | 31.3 | Very low | 36.6 | Very low | 175 Ų | 175 | 130.4 Ų | 130.4 | 92% | 0.916 | 72% | 0.716 | S | S | * | * | trans | -140.1 | 151.8 | 162.9 | -92.1 | 171.2 | 0 | 0 | 0 | 110.5 | ||||
| 79 | C | 34 | Very low | 36.6 | Very low | 109 Ų | 109 | 131.6 Ų | 131.6 | 74% | 0.736 | 71% | 0.709 | S | S | * | * | trans | -78.3 | 161.2 | -156.5 | 42.1 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 80 | W | 31 | Very low | 36.7 | Very low | 254 Ų | 254 | 128.9 Ų | 128.9 | 96% | 0.962 | 70% | 0.699 | S | S | * | * | trans | -65.6 | 119.8 | -170.6 | -56.8 | 83.1 | 0 | 0 | 0 | 116.2 | ||||
| 81 | I | 36.3 | Very low | 36.2 | Very low | 155 Ų | 155 | 132.5 Ų | 132.5 | 80% | 0.795 | 70% | 0.698 | S | S | * | * | trans | -147.7 | 127.4 | 146.1 | -58.6 | -176 | 0 | 0 | 0 | 105.2 | P83 | I81-P83 WeakPolarHBondContact O-CD 3.24Š| ||
| 82 | D | 37.9 | Very low | 36.1 | Very low | 97 Ų | 97 | 127.9 Ų | 127.9 | 52% | 0.519 | 68% | 0.683 | S | S | . | * | trans | -67.2 | 109.4 | -172.7 | -171.6 | -4.5 | 0 | 0 | 0 | 111.9 | L84 A85 | D82-L84 PolarHBondContact O-N 2.91Å; D82-L84 VanDerWaalsContact OD1-CB 3.31Å; D82-L84 WeakPolarHBondContact OD1-CB 3.46Å; D82-L84 PolarHBondContact OD1-N 3.36Å; D82-A85 PolarHBondContact O-N 3.45Å | ||
| 83 | P | 40.3 | Very low | 36.1 | Very low | 104 Ų | 104 | 126.1 Ų | 126.1 | 68% | 0.675 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -68.2 | -11.3 | 179.1 | -15.6 | 32.1 | 0 | 0 | 0 | 113.1 | I81 E87 | I81-P83 WeakPolarHBondContact O-CD 3.24Å; P83-E87 PolarHBondContact O-N 3.39Å |
| 84 | L | 41.2 | Very low | 36.4 | Very low | 128 Ų | 128 | 125.7 Ų | 125.7 | 67% | 0.67 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -82.6 | -21.1 | 177.1 | -67 | 163.9 | 0 | 0 | 0 | 112.7 | D82 A88 | D82-L84 PolarHBondContact O-N 2.91Å; D82-L84 VanDerWaalsContact OD1-CB 3.31Å; D82-L84 WeakPolarHBondContact OD1-CB 3.46Å; D82-L84 PolarHBondContact OD1-N 3.36Å; L84-A88 VanDerWaalsContact O-CB 3.31Å; L84-A88 WeakPolarHBondContact O-CB 3.15Å; L84-A88 PolarHBondContact O-N 3.43Å; L84-A88 VanDerWaalsContact O-N 3.08Å |
| 85 | A | 43.9 | Very low | 36.7 | Very low | 55 Ų | 55 | 123.4 Ų | 123.4 | 46% | 0.455 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -74.2 | -39.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | D82 A88 E89 | D82-A85 PolarHBondContact O-N 3.45Å; A85-A88 PolarHBondContact O-N 3.2Å; A85-E89 PolarHBondContact O-N 3.12Å |
| 86 | E | 39.9 | Very low | 37.2 | Very low | 114 Ų | 114 | 118.7 Ų | 118.7 | 53% | 0.533 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -70.3 | -33.1 | 173.3 | -89.1 | -162.1 | 174.1 | 0 | 0 | 112.7 | A88 E89 R90 | E86-A88 VanDerWaalsContact C-N 3.33Å; E86-E89 PolarHBondContact O-N 3.2Å; E86-R90 WeakPolarHBondContact O-CB 3.39Å; E86-R90 WeakPolarHBondContact O-CG 3.23Å; E86-R90 PolarHBondContact O-N 3.12Å; E86-R90 IonicContact OE2-NH1 3.99Å; E86-R90 PolarHBondContact OE2-NH1 3.16Å; E86-R90 IonicContact OE2-NH2 3.91Å |
| 87 | E | 42.7 | Very low | 37.6 | Very low | 83 Ų | 83 | 116.9 Ų | 116.9 | 39% | 0.388 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -71.2 | -30.6 | 175.2 | -164.9 | 73 | -168.9 | 0 | 0 | 111.6 | P83 R91 | P83-E87 PolarHBondContact O-N 3.39Å; E87-R91 PolarHBondContact O-N 3.09Å; E87-R91 IonicContact OE1-NH2 3.99Å |
| 88 | A | 35.9 | Very low | 38.3 | Very low | 67 Ų | 67 | 112.7 Ų | 112.7 | 55% | 0.554 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -73.3 | -32.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L84 A85 E86 S92 | L84-A88 VanDerWaalsContact O-CB 3.31Å; L84-A88 WeakPolarHBondContact O-CB 3.15Å; L84-A88 PolarHBondContact O-N 3.43Å; L84-A88 VanDerWaalsContact O-N 3.08Å; A85-A88 PolarHBondContact O-N 3.2Å; E86-A88 VanDerWaalsContact C-N 3.33Å; A88-S92 PolarHBondContact O-N 2.88Å |
| 89 | E | 38.6 | Very low | 38.8 | Very low | 147 Ų | 147 | 109 Ų | 109 | 69% | 0.687 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -77.9 | -30.7 | 171 | -91 | -178.2 | 159.1 | 0 | 0 | 113.3 | A85 E86 R91 S92 | A85-E89 PolarHBondContact O-N 3.12Å; E86-E89 PolarHBondContact O-N 3.2Å; E89-R91 VanDerWaalsContact C-N 3.29Å; E89-R91 PolarHBondContact O-N 3.29Å; E89-S92 WeakPolarHBondContact O-CB 3.31Å; E89-S92 PolarHBondContact O-N 3.21Å; E89-S92 PolarHBondContact O-OG 2.93Å |
| 90 | R | 37.9 | Very low | 39.2 | Very low | 181 Ų | 181 | 107.2 Ų | 107.2 | 68% | 0.683 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -71.6 | -21.4 | 171.1 | -80.6 | -173.3 | 179.1 | 106.6 | 6.8 | 113.6 | E86 S92 | E86-R90 WeakPolarHBondContact O-CB 3.39Å; E86-R90 WeakPolarHBondContact O-CG 3.23Å; E86-R90 PolarHBondContact O-N 3.12Å; E86-R90 IonicContact OE2-NH1 3.99Å; E86-R90 PolarHBondContact OE2-NH1 3.16Å; E86-R90 IonicContact OE2-NH2 3.91Å; R90-S92 VanDerWaalsContact C-N 3.32Å |
| 91 | R | 39.8 | Very low | 39.9 | Very low | 186 Ų | 186 | 102.6 Ų | 102.6 | 70% | 0.702 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | 14 | 166.5 | -72.1 | -168.3 | 178.3 | 105.6 | 7.2 | 113.1 | E87 E89 V93 | E87-R91 PolarHBondContact O-N 3.09Å; E87-R91 IonicContact OE1-NH2 3.99Å; E89-R91 VanDerWaalsContact C-N 3.29Å; E89-R91 PolarHBondContact O-N 3.29Å; R91-V93 PolarHBondContact O-N 3.16Å |
| 92 | S | 32.3 | Very low | 40.6 | Very low | 83 Ų | 83 | 102 Ų | 102 | 58% | 0.58 | 52% | 0.521 | S | S | * | . | trans | -58.5 | 108.9 | 171.6 | 58.6 | 0 | 0 | 0 | 0 | 109.2 | A88 E89 R90 Q94 | A88-S92 PolarHBondContact O-N 2.88Å; E89-S92 WeakPolarHBondContact O-CB 3.31Å; E89-S92 PolarHBondContact O-N 3.21Å; E89-S92 PolarHBondContact O-OG 2.93Å; R90-S92 VanDerWaalsContact C-N 3.32Å; S92-Q94 PolarHBondContact O-N 3.44Å | ||
| 93 | V | 33.2 | Very low | 41.4 | Very low | 63 Ų | 63 | 105.6 Ų | 105.6 | 38% | 0.382 | 54% | 0.535 | S | S | . | . | trans | -20.5 | 114.3 | 169.1 | -176 | 0 | 0 | 0 | 0 | 110.9 | R91 H95 T225 | R91-V93 PolarHBondContact O-N 3.16Å; V93-H95 PolarHBondContact O-N 2.79Å; V93-T225 HydrophobicContact CG1-CG2 4.43Å; V93-T225 WeakPolarHBondContact CG1-OG1 3.14Å | ||
| 94 | Q | 40.9 | Very low | 42.9 | Very low | 94 Ų | 94 | 104.6 Ų | 104.6 | 44% | 0.439 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 94.1 | 171.4 | -70.8 | -171.7 | 7.5 | 0 | 0 | 107.9 | S92 Y96 F224 | S92-Q94 PolarHBondContact O-N 3.44Å; Q94-Y96 PolarHBondContact O-N 2.86Å; Q94-Y96 VanDerWaalsContact O-N 3.14Å; Q94-F224 HydrophobicContact CB-CD1 4.16Å |
| 95 | H | 40.1 | Very low | 44.8 | Very low | 96 Ų | 96 | 100 Ų | 100 | 44% | 0.444 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 102 | 177.4 | -160.8 | 67.8 | 0 | 0 | 0 | 106.9 | V93 D97 Q227 | V93-H95 PolarHBondContact O-N 2.79Å; H95-D97 IonicContact CD2-OD1 3.76Å; H95-D97 PolarHBondContact CD2-OD1 2.81Å; H95-D97 IonicContact CD2-OD2 3.43Å; H95-D97 PolarHBondContact CD2-OD2 2.81Å; H95-D97 IonicContact NE2-OD1 3.99Å; H95-D97 PolarHBondContact NE2-OD1 2.78Å; H95-D97 VanDerWaalsContact NE2-OD1 3.11Å; H95-D97 IonicContact NE2-OD2 2.99Å; H95-D97 PolarHBondContact O-N 2.87Å; H95-Q227 PolarHBondContact CE1-NE2 3.42Å; H95-Q227 VanDerWaalsContact CE1-NE2 3.34Å |
| 96 | Y | 42.9 | Very low | 47 | Very low | 61 Ų | 61 | 99.5 Ų | 99.5 | 24% | 0.239 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 89.4 | 176.8 | -167.9 | -105.5 | 0 | 0 | 0 | 108.7 | Q94 L98 K215 T225 M226 | Q94-Y96 PolarHBondContact O-N 2.86Å; Q94-Y96 VanDerWaalsContact O-N 3.14Å; Y96-L98 HydrophobicContact CD1-CD1 4.17Å; Y96-L98 HydrophobicContact CD1-CD2 4.35Å; Y96-L98 HydrophobicContact CD1-CG 3.78Å; Y96-L98 HydrophobicContact CE1-CD1 3.85Å; Y96-L98 HydrophobicContact CE1-CD2 3.53Å; Y96-L98 HydrophobicContact CE1-CG 3.45Å; Y96-L98 VanDerWaalsContact CE1-CG 3.45Å; Y96-L98 PolarHBondContact O-N 3.03Å; Y96-K215 PolarHBondContact OH-NZ 2.7Å; Y96-T225 PolarHBondContact N-O 3.04Å; Y96-M226 HydrophobicContact CD1-CE 3.23Å; Y96-M226 HydrophobicContact CD1-SD 4.46Å; Y96-M226 HydrophobicContact CE1-CE 3.71Å; Y96-M226 HydrophobicContact CG-CE 4.04Å |
| 97 | D | 39.3 | Very low | 49.5 | Very low | 92 Ų | 92 | 94.3 Ų | 94.3 | 49% | 0.492 | 46% | 0.459 | S | S | . | . | trans | -76.2 | 96.1 | 170.8 | -82.1 | -30 | 0 | 0 | 0 | 109.7 | H95 C99 | H95-D97 IonicContact CD2-OD1 3.76Å; H95-D97 PolarHBondContact CD2-OD1 2.81Å; H95-D97 IonicContact CD2-OD2 3.43Å; H95-D97 PolarHBondContact CD2-OD2 2.81Å; H95-D97 IonicContact NE2-OD1 3.99Å; H95-D97 PolarHBondContact NE2-OD1 2.78Å; H95-D97 VanDerWaalsContact NE2-OD1 3.11Å; H95-D97 IonicContact NE2-OD2 2.99Å; H95-D97 PolarHBondContact O-N 2.87Å; D97-C99 PolarHBondContact O-N 3.29Å | ||
| 98 | L | 45.1 | Very low | 52 | Low | 23 Ų | 23 | 92.4 Ų | 92.4 | 12% | 0.12 | 45% | 0.449 | C | S | . | . | trans | -69.8 | 124.3 | 154.4 | -70.7 | 162.8 | 0 | 0 | 0 | 106.6 | Y96 Y100 | Y96-L98 HydrophobicContact CD1-CD1 4.17Å; Y96-L98 HydrophobicContact CD1-CD2 4.35Å; Y96-L98 HydrophobicContact CD1-CG 3.78Å; Y96-L98 HydrophobicContact CE1-CD1 3.85Å; Y96-L98 HydrophobicContact CE1-CD2 3.53Å; Y96-L98 HydrophobicContact CE1-CG 3.45Å; Y96-L98 VanDerWaalsContact CE1-CG 3.45Å; Y96-L98 PolarHBondContact O-N 3.03Å; L98-Y100 HydrophobicContact CB-CD2 3.45Å; L98-Y100 VanDerWaalsContact CB-CD2 3.45Å; L98-Y100 HydrophobicContact CB-CE2 3.29Å; L98-Y100 HydrophobicContact CD1-CE2 3.7Å; L98-Y100 HydrophobicContact CG-CE2 4Å; L98-Y100 PolarHBondContact O-N 3Å | ||
| 99 | C | 41 | Very low | 54.8 | Low | 98 Ų | 98 | 89.2 Ų | 89.2 | 66% | 0.662 | 42% | 0.423 | S | S | * | . | trans | -68.6 | 56.2 | 178.6 | -68.2 | 0 | 0 | 0 | 0 | 112.8 | D97 | D97-C99 PolarHBondContact O-N 3.29Š| ||
| 100 | Y | 42.3 | Very low | 57.5 | Low | 70 Ų | 70 | 82.2 Ų | 82.2 | 28% | 0.275 | 39% | 0.39 | S | S | . | . | trans | -74.3 | 141 | 158.7 | -61.8 | -75.8 | 0 | 0 | 0 | 107.7 | L98 N102 V229 | L98-Y100 HydrophobicContact CB-CD2 3.45Å; L98-Y100 VanDerWaalsContact CB-CD2 3.45Å; L98-Y100 HydrophobicContact CB-CE2 3.29Å; L98-Y100 HydrophobicContact CD1-CE2 3.7Å; L98-Y100 HydrophobicContact CG-CE2 4Å; L98-Y100 PolarHBondContact O-N 3Å; Y100-N102 PolarHBondContact O-N 3.04Å; Y100-V229 HydrophobicContact CD1-CG1 3.77Å; Y100-V229 HydrophobicContact CD2-CB 4.17Å; Y100-V229 HydrophobicContact CD2-CG1 3.79Å; Y100-V229 HydrophobicContact CD2-CG2 3.28Å; Y100-V229 HydrophobicContact CE1-CG1 3.84Å; Y100-V229 HydrophobicContact CE2-CB 4.11Å; Y100-V229 HydrophobicContact CE2-CG1 3.84Å; Y100-V229 HydrophobicContact CE2-CG2 3.36Å; Y100-V229 HydrophobicContact CG-CG1 3.74Å; Y100-V229 HydrophobicContact CG-CG2 4.04Å | ||
| 101 | K | 45.6 | Very low | 60.3 | Low | 157 Ų | 157 | 73.6 Ų | 73.6 | 68% | 0.683 | 36% | 0.358 | S | S | * | . | trans | -52.6 | 133 | 166.7 | -66.8 | -177.5 | 177 | -177 | 0 | 107.3 | E103 R104 | K101-E103 PolarHBondContact O-N 3.05Å; K101-R104 PolarHBondContact O-N 2.65Å | ||
| 102 | N | 52.4 | Low | 62.9 | Low | 142 Ų | 142 | 65.1 Ų | 65.1 | 76% | 0.759 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -46.5 | -25.1 | -180 | -84.1 | -8.6 | 0 | 0 | 0 | 113.6 | Y100 R104 T105 | Y100-N102 PolarHBondContact O-N 3.04Å; N102-R104 PolarHBondContact O-N 2.91Å; N102-R104 VanDerWaalsContact O-N 3.11Å; N102-T105 PolarHBondContact O-N 2.85Å; N102-T105 PolarHBondContact O-OG1 2.78Å |
| 103 | E | 55.1 | Low | 65.8 | Low | 173 Ų | 173 | 61.1 Ų | 61.1 | 81% | 0.808 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -58.4 | -15.4 | 174.7 | -62.1 | 172.3 | 177.7 | 0 | 0 | 115 | K101 | K101-E103 PolarHBondContact O-N 3.05Š|
| 104 | R | 70 | Confident | 68.7 | Low | 84 Ų | 84 | 62 Ų | 62 | 32% | 0.317 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -104.7 | -3 | -178.5 | -64.5 | -168.9 | 179.4 | 178.7 | 3.1 | 114.9 | K101 N102 V229 D230 D235 | K101-R104 PolarHBondContact O-N 2.65Å; N102-R104 PolarHBondContact O-N 2.91Å; N102-R104 VanDerWaalsContact O-N 3.11Å; R104-V229 HydrophobicContact CB-CG1 4.46Å; R104-D230 PolarHBondContact O-N 3Å; R104-D235 IonicContact CZ-OD2 3.07Å; R104-D235 VanDerWaalsContact NH2-CB 3.29Å; R104-D235 IonicContact NH2-OD2 2.73Å; R104-D235 PolarHBondContact NH2-OD2 3.16Å |
| 105 | T | 82.7 | Confident | 71.2 | Confident | 32 Ų | 32 | 58 Ų | 58 | 20% | 0.196 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 134.4 | -177.1 | 63.3 | 0 | 0 | 0 | 0 | 110.7 | N102 Q227 I228 | N102-T105 PolarHBondContact O-N 2.85Å; N102-T105 PolarHBondContact O-OG1 2.78Å; T105-Q227 HydrophobicContact CG2-CB 4Å; T105-Q227 HydrophobicContact CG2-CG 4.22Å; T105-I228 CarbonylContact C-O 3.57Å; T105-I228 WeakPolarHBondContact CA-O 3.48Å |
| 106 | R | 89.7 | Confident | 73.8 | Confident | 44 Ų | 44 | 54.6 Ų | 54.6 | 17% | 0.166 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 32.6 | -175.3 | -60 | -61.8 | -160 | 120.8 | 5.7 | 111.7 | V132 Q133 P134 N135 I204 I228 D230 | R106-V132 WeakPolarHBondContact O-CA 3Å; R106-Q133 HydrophobicContact CB-CB 4.37Å; R106-Q133 PolarHBondContact NH1-O 2.87Å; R106-Q133 PolarHBondContact O-N 2.89Å; R106-P134 PolarHBondContact NH1-O 2.95Å; R106-N135 PolarHBondContact NH1-OD1 2.75Å; R106-N135 PolarHBondContact NH2-OD1 2.69Å; R106-I204 HydrophobicContact CB-CG2 3.89Å; R106-I228 HydrophobicContact CB-CB 4.42Å; R106-I228 HydrophobicContact CB-CG2 4.1Å; R106-I228 PolarHBondContact N-O 2.61Å; R106-D230 HydrophobicContact CG-CB 3.91Å; R106-D230 IonicContact CZ-OD2 3.99Å; R106-D230 IonicContact NE-OD2 2.74Å; R106-D230 PolarHBondContact NE-OD2 3.29Å; R106-D230 IonicContact NH2-OD1 2.65Å; R106-D230 IonicContact NH2-OD2 3.53Å; R106-D230 PolarHBondContact NH2-OD2 3.17Å |
| 107 | G | 92.6 | Very high | 76.1 | Confident | 5 Ų | 5 | 57.4 Ų | 57.4 | 5% | 0.052 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 102.4 | -165.7 | -170.6 | 0 | 0 | 0 | 0 | 0 | 112 | E130 N131 Q227 I228 | G107-E130 CarbonylContact C-O 3.49Å; G107-E130 VanDerWaalsContact CA-O 3.27Å; G107-E130 WeakPolarHBondContact CA-O 3.21Å; G107-N131 WeakPolarHBondContact CA-O 3.4Å; G107-N131 PolarHBondContact N-O 2.85Å; G107-Q227 PolarHBondContact O-OE1 2.88Å; G107-I228 WeakPolarHBondContact O-CB 3.47Å; G107-I228 PolarHBondContact O-N 3.12Å |
| 108 | Q | 94.5 | Very high | 78.5 | Confident | 42 Ų | 42 | 60 Ų | 60 | 20% | 0.196 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 152.7 | -178.4 | 3 | -179.2 | 44.5 | 0 | 0 | 110.3 | A129 E130 T225 M226 Q227 | Q108-A129 CarbonylContact O-C 3.52Å; Q108-A129 WeakPolarHBondContact O-CA 3.43Å; Q108-A129 WeakPolarHBondContact O-CB 3.41Å; Q108-E130 PolarHBondContact N-O 2.85Å; Q108-E130 PolarHBondContact O-N 3.28Å; Q108-T225 HydrophobicContact CB-CG2 3.92Å; Q108-M226 CarbonylContact C-O 3.47Å; Q108-M226 VanDerWaalsContact CA-O 3.28Å; Q108-M226 WeakPolarHBondContact CA-O 3.48Å; Q108-M226 WeakPolarHBondContact CB-O 3.38Å; Q108-Q227 VanDerWaalsContact OE1-NE2 3.14Å |
| 109 | I | 95.1 | Very high | 80.8 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 138.2 | 175.4 | -164.5 | 174.8 | 0 | 0 | 0 | 109.1 | F111 L126 A129 V145 C190 V192 V207 T225 M226 I228 | I109-F111 HydrophobicContact CG2-CD1 4.24Å; I109-F111 HydrophobicContact CG2-CE1 4.32Å; I109-L126 HydrophobicContact CD1-CD1 3.61Å; I109-L126 HydrophobicContact CG1-CD1 3.83Å; I109-A129 HydrophobicContact CG1-CB 4.42Å; I109-V145 HydrophobicContact CD1-CG1 4.13Å; I109-V145 HydrophobicContact CD1-CG2 3.97Å; I109-C190 HydrophobicContact CD1-CB 4.05Å; I109-V192 HydrophobicContact CD1-CG2 4.32Å; I109-V207 HydrophobicContact CG2-CB 3.95Å; I109-V207 HydrophobicContact CG2-CG1 4.05Å; I109-V207 HydrophobicContact CG2-CG2 3.4Å; I109-V207 VanDerWaalsContact CG2-CG2 3.4Å; I109-T225 WeakPolarHBondContact O-CA 3.36Å; I109-M226 HydrophobicContact CG2-CB 4.41Å; I109-M226 PolarHBondContact N-O 3.49Å; I109-M226 PolarHBondContact O-N 3.3Å; I109-I228 HydrophobicContact CB-CD1 4.49Å; I109-I228 HydrophobicContact CB-CG1 4.23Å |
| 110 | T | 96 | Very high | 83.3 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 127.5 | 175.7 | -52.7 | 0 | 0 | 0 | 0 | 109.3 | I127 R128 E223 F224 T225 | T110-I127 HydrophobicContact CG2-CB 4.45Å; T110-I127 HydrophobicContact CG2-CD1 4.18Å; T110-I127 WeakPolarHBondContact O-CB 3.15Å; T110-I127 PolarHBondContact O-N 3.06Å; T110-R128 PolarHBondContact N-O 3.06Å; T110-R128 PolarHBondContact O-N 3.27Å; T110-E223 HydrophobicContact CG2-CG 3.6Å; T110-F224 VanDerWaalsContact CA-O 3.3Å; T110-F224 WeakPolarHBondContact CA-O 3.39Å; T110-T225 WeakPolarHBondContact CG2-OG1 3Å; T110-T225 PolarHBondContact OG1-OG1 3.01Å |
| 111 | F | 95.2 | Very high | 85.7 | Confident | 1 Ų | 1 | 66.3 Ų | 66.3 | 0% | 0.004 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 156.8 | 174.7 | 61.1 | -89.6 | 0 | 0 | 0 | 110 | I109 L113 M124 H125 L188 V207 M209 F224 M226 | I109-F111 HydrophobicContact CG2-CD1 4.24Å; I109-F111 HydrophobicContact CG2-CE1 4.32Å; F111-L113 HydrophobicContact CD2-CD2 3.89Å; F111-L113 HydrophobicContact CD2-CG 4.03Å; F111-L113 HydrophobicContact CE2-CD1 4.08Å; F111-L113 HydrophobicContact CE2-CD2 4.03Å; F111-L113 HydrophobicContact CE2-CG 3.93Å; F111-M124 HydrophobicContact CB-CE 3.62Å; F111-M124 HydrophobicContact CB-CG 4.35Å; F111-M124 HydrophobicContact CD1-CE 4.23Å; F111-M124 HydrophobicContact CD2-CE 4.22Å; F111-M124 HydrophobicContact CD2-CG 4.34Å; F111-M124 HydrophobicContact CG-CE 3.77Å; F111-H125 CarbonylContact C-O 3.57Å; F111-H125 WeakPolarHBondContact CA-O 3.44Å; F111-H125 VanDerWaalsContact CB-O 3.28Å; F111-H125 WeakPolarHBondContact CB-O 3.17Å; F111-L188 HydrophobicContact CD2-CD2 4.21Å; F111-L188 HydrophobicContact CE2-CD2 3.76Å; F111-L188 HydrophobicContact CZ-CD2 4.27Å; F111-V207 HydrophobicContact CE1-CG1 4.24Å; F111-M209 HydrophobicContact CE2-SD 3.65Å; F111-M209 HydrophobicContact CZ-CB 4.2Å; F111-M209 HydrophobicContact CZ-SD 3.72Å; F111-F224 HydrophobicContact CD2-CD2 4.36Å; F111-F224 HydrophobicContact CE2-CB 4.21Å; F111-F224 AromaticContact CE2-CD2 3.98Å; F111-F224 HydrophobicContact CE2-CD2 3.98Å; F111-F224 HydrophobicContact CE2-CG 4.41Å; F111-F224 HydrophobicContact CZ-CB 4.17Å; F111-F224 PolarHBondContact N-O 2.84Å; F111-F224 PolarHBondContact O-N 3.03Å; F111-M226 HydrophobicContact CE1-CG 4.15Å; F111-M226 HydrophobicContact CE1-SD 3.74Å; F111-M226 HydrophobicContact CZ-CG 4.42Å; F111-M226 HydrophobicContact CZ-SD 3.58Å; F111-M226 VanDerWaalsContact CZ-SD 3.58Å |
| 112 | S | 94.1 | Very high | 88 | Confident | 7 Ų | 7 | 58.9 Ų | 58.9 | 5% | 0.049 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 150.3 | 170.9 | 65 | 0 | 0 | 0 | 0 | 112.4 | M124 H125 W221 T222 | S112-M124 CarbonylContact O-C 3.45Å; S112-M124 WeakPolarHBondContact O-CA 3.42Å; S112-H125 PolarHBondContact N-O 2.89Å; S112-H125 PolarHBondContact O-N 2.64Å; S112-H125 WeakPolarHBondContact OG-CB 3.48Å; S112-W221 WeakPolarHBondContact O-CZ3 3.29Å; S112-W221 VanDerWaalsContact OG-CE3 3.27Å; S112-T222 CarbonylContact C-O 3.56Å; S112-T222 WeakPolarHBondContact CA-O 3.37Å; S112-T222 WeakPolarHBondContact CB-O 3.09Å |
| 113 | L | 94.7 | Very high | 90 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 143.2 | 179.6 | -57.5 | -179.8 | 0 | 0 | 0 | 110.8 | F111 M123 M124 L188 M209 L212 L218 W221 T222 F224 | F111-L113 HydrophobicContact CD2-CD2 3.89Å; F111-L113 HydrophobicContact CD2-CG 4.03Å; F111-L113 HydrophobicContact CE2-CD1 4.08Å; F111-L113 HydrophobicContact CE2-CD2 4.03Å; F111-L113 HydrophobicContact CE2-CG 3.93Å; L113-M123 WeakPolarHBondContact CA-O 3.49Å; L113-M124 HydrophobicContact CD2-CB 3.82Å; L113-M124 HydrophobicContact CD2-CG 3.91Å; L113-L188 HydrophobicContact CD1-CD2 4.24Å; L113-L188 HydrophobicContact CD2-CD2 3.62Å; L113-L188 HydrophobicContact CG-CD2 4.5Å; L113-M209 HydrophobicContact CD1-CE 4.06Å; L113-M209 HydrophobicContact CD1-SD 3.56Å; L113-M209 VanDerWaalsContact CD1-SD 3.56Å; L113-L212 HydrophobicContact CD1-CD2 3.91Å; L113-L218 HydrophobicContact CB-CD2 3.75Å; L113-W221 WeakPolarHBondContact O-CA 3.5Å; L113-T222 PolarHBondContact N-O 3Å; L113-T222 PolarHBondContact O-N 2.96Å; L113-F224 HydrophobicContact CB-CE2 4.02Å; L113-F224 HydrophobicContact CD1-CD2 4.35Å; L113-F224 HydrophobicContact CD1-CE2 3.94Å; L113-F224 HydrophobicContact CG-CD2 4.17Å; L113-F224 HydrophobicContact CG-CE2 3.9Å |
| 114 | R | 93.5 | Very high | 92 | Very high | 80 Ų | 80 | 44.1 Ų | 44.1 | 30% | 0.302 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 163.3 | 162.4 | 69.6 | 171.4 | 177.7 | 140.1 | 7.8 | 109 | M123 W221 | R114-M123 HydrophobicContact CG-CB 3.62Å; R114-M123 HydrophobicContact CG-CG 4.09Å; R114-M123 PolarHBondContact N-O 3.06Å; R114-M123 WeakPolarHBondContact O-CB 3.4Å; R114-M123 PolarHBondContact O-N 2.81Å; R114-W221 HydrophobicContact CB-CD2 4.01Å; R114-W221 HydrophobicContact CB-CE3 3.98Å; R114-W221 HydrophobicContact CB-CG 4.38Å; R114-W221 HydrophobicContact CB-CZ3 4.44Å; R114-W221 HydrophobicContact CG-CD2 3.72Å; R114-W221 HydrophobicContact CG-CE3 3.74Å; R114-W221 HydrophobicContact CG-CG 4.42Å; R114-W221 HydrophobicContact CG-CH2 3.9Å; R114-W221 HydrophobicContact CG-CZ2 3.87Å; R114-W221 HydrophobicContact CG-CZ3 3.81Å; R114-W221 VanDerWaalsContact NE-CE2 3.26Å |
| 115 | Y | 94.2 | Very high | 93.2 | Very high | 11 Ų | 11 | 42.2 Ų | 42.2 | 4% | 0.043 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 128.7 | 172.9 | -170.8 | -98.3 | 0 | 0 | 0 | 110.4 | Y117 R120 M121 L122 A178 P179 V180 L183 L218 | Y115-Y117 AromaticContact CD1-CD1 3.53Å; Y115-Y117 HydrophobicContact CD1-CD1 3.53Å; Y115-Y117 AromaticContact CD1-CD2 3.79Å; Y115-Y117 HydrophobicContact CD1-CD2 3.79Å; Y115-Y117 AromaticContact CD1-CE1 3.58Å; Y115-Y117 HydrophobicContact CD1-CE1 3.58Å; Y115-Y117 AromaticContact CD1-CE2 3.83Å; Y115-Y117 HydrophobicContact CD1-CE2 3.83Å; Y115-Y117 AromaticContact CD1-CG 3.64Å; Y115-Y117 HydrophobicContact CD1-CG 3.64Å; Y115-Y117 AromaticContact CD1-CZ 3.73Å; Y115-Y117 AromaticContact CE1-CD1 3.67Å; Y115-Y117 HydrophobicContact CE1-CD1 3.67Å; Y115-Y117 AromaticContact CE1-CE1 3.98Å; Y115-Y117 HydrophobicContact CE1-CE1 3.98Å; Y115-Y117 HydrophobicContact CE1-CG 4.01Å; Y115-Y117 HydrophobicContact CG-CE2 4.49Å; Y115-Y117 PolarHBondContact O-N 3.39Å; Y115-R120 VanDerWaalsContact OH-CA 3.24Å; Y115-R120 WeakPolarHBondContact OH-CA 3.45Å; Y115-M121 WeakPolarHBondContact CD2-O 3.38Å; Y115-L122 HydrophobicContact CD2-CB 4.46Å; Y115-A178 WeakPolarHBondContact CE2-O 3.24Å; Y115-A178 PolarHBondContact OH-O 2.74Å; Y115-A178 VanDerWaalsContact OH-O 3.13Å; Y115-P179 WeakPolarHBondContact OH-CA 3.25Å; Y115-V180 HydrophobicContact CD1-CB 4.32Å; Y115-V180 HydrophobicContact CD1-CG2 4.47Å; Y115-V180 HydrophobicContact CE1-CB 3.75Å; Y115-V180 HydrophobicContact CE1-CG2 4.38Å; Y115-V180 HydrophobicContact CE2-CB 4.23Å; Y115-V180 PolarHBondContact OH-N 2.73Å; Y115-L183 HydrophobicContact CD2-CD1 3.58Å; Y115-L183 HydrophobicContact CE2-CD1 3.83Å; Y115-L183 HydrophobicContact CG-CD1 4.48Å; Y115-L218 PolarHBondContact N-O 3.36Å |
| 116 | D | 93.4 | Very high | 93.9 | Very high | 25 Ų | 25 | 40.7 Ų | 40.7 | 13% | 0.134 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 101.1 | 171.6 | -166.7 | -42.8 | 0 | 0 | 0 | 109.4 | I118 H119 R120 M121 M123 | D116-I118 VanDerWaalsContact C-N 3.28Å; D116-I118 PolarHBondContact O-N 3.37Å; D116-I118 WeakPolarHBondContact OD1-CB 3.27Å; D116-I118 PolarHBondContact OD1-N 2.91Å; D116-H119 IonicContact OD1-CD2 2.69Å; D116-H119 IonicContact OD1-CG 3.2Å; D116-H119 PolarHBondContact OD1-N 2.91Å; D116-H119 IonicContact OD2-CD2 3.34Å; D116-H119 PolarHBondContact OD2-CD2 2.97Å; D116-R120 WeakPolarHBondContact O-CA 3.38Å; D116-R120 PolarHBondContact O-N 2.83Å; D116-M121 HydrophobicContact CB-CG 4.41Å; D116-M121 PolarHBondContact N-O 3.18Å; D116-M121 PolarHBondContact O-N 2.76Å; D116-M123 HydrophobicContact CB-CG 4.14Å |
| 117 | Y | 90.8 | Very high | 94.3 | Very high | 120 Ų | 120 | 39.7 Ų | 39.7 | 47% | 0.471 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -23.1 | -178.9 | -69.5 | -86.7 | 0 | 0 | 0 | 113.8 | Y115 V180 D217 | Y115-Y117 AromaticContact CD1-CD1 3.53Å; Y115-Y117 HydrophobicContact CD1-CD1 3.53Å; Y115-Y117 AromaticContact CD1-CD2 3.79Å; Y115-Y117 HydrophobicContact CD1-CD2 3.79Å; Y115-Y117 AromaticContact CD1-CE1 3.58Å; Y115-Y117 HydrophobicContact CD1-CE1 3.58Å; Y115-Y117 AromaticContact CD1-CE2 3.83Å; Y115-Y117 HydrophobicContact CD1-CE2 3.83Å; Y115-Y117 AromaticContact CD1-CG 3.64Å; Y115-Y117 HydrophobicContact CD1-CG 3.64Å; Y115-Y117 AromaticContact CD1-CZ 3.73Å; Y115-Y117 AromaticContact CE1-CD1 3.67Å; Y115-Y117 HydrophobicContact CE1-CD1 3.67Å; Y115-Y117 AromaticContact CE1-CE1 3.98Å; Y115-Y117 HydrophobicContact CE1-CE1 3.98Å; Y115-Y117 HydrophobicContact CE1-CG 4.01Å; Y115-Y117 HydrophobicContact CG-CE2 4.49Å; Y115-Y117 PolarHBondContact O-N 3.39Å; Y117-V180 HydrophobicContact CE1-CG2 4.17Å; Y117-D217 PolarHBondContact OH-O 2.72Å |
| 118 | I | 91.5 | Very high | 94.5 | Very high | 146 Ų | 146 | 43.7 Ų | 43.7 | 75% | 0.749 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76 | -49.5 | 179.9 | -62.2 | 175.5 | 0 | 0 | 0 | 109 | D116 | D116-I118 VanDerWaalsContact C-N 3.28Å; D116-I118 PolarHBondContact O-N 3.37Å; D116-I118 WeakPolarHBondContact OD1-CB 3.27Å; D116-I118 PolarHBondContact OD1-N 2.91Å |
| 119 | H | 91.8 | Very high | 94.6 | Very high | 128 Ų | 128 | 41.8 Ų | 41.8 | 59% | 0.593 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90 | -10.2 | -177.2 | -62.8 | -66.7 | 0 | 0 | 0 | 113.7 | D116 M121 | D116-H119 IonicContact OD1-CD2 2.69Å; D116-H119 IonicContact OD1-CG 3.2Å; D116-H119 PolarHBondContact OD1-N 2.91Å; D116-H119 IonicContact OD2-CD2 3.34Å; D116-H119 PolarHBondContact OD2-CD2 2.97Å; H119-M121 HydrophobicContact CB-CG 3.51Å; H119-M121 HydrophobicContact CB-SD 3.63Å |
| 120 | R | 93.1 | Very high | 94.6 | Very high | 167 Ų | 167 | 44.1 Ų | 44.1 | 63% | 0.63 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.5 | 50.4 | -179.6 | -55.7 | -178.5 | 174 | -138.4 | -2.1 | 113.8 | Y115 D116 A178 | Y115-R120 VanDerWaalsContact OH-CA 3.24Å; Y115-R120 WeakPolarHBondContact OH-CA 3.45Å; D116-R120 WeakPolarHBondContact O-CA 3.38Å; D116-R120 PolarHBondContact O-N 2.83Å; R120-A178 CarbonylContact O-C 3.22Å; R120-A178 PolarHBondContact O-N 3.2Å |
| 121 | M | 93.9 | Very high | 94.6 | Very high | 29 Ų | 29 | 48.8 Ų | 48.8 | 14% | 0.143 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 141 | -176 | 10.8 | -178.2 | -72.7 | 0 | 0 | 111.2 | Y115 D116 H119 M123 F176 | Y115-M121 WeakPolarHBondContact CD2-O 3.38Å; D116-M121 HydrophobicContact CB-CG 4.41Å; D116-M121 PolarHBondContact N-O 3.18Å; D116-M121 PolarHBondContact O-N 2.76Å; H119-M121 HydrophobicContact CB-CG 3.51Å; H119-M121 HydrophobicContact CB-SD 3.63Å; M121-M123 HydrophobicContact CE-CE 4.25Å; M121-M123 HydrophobicContact CE-SD 3.25Å; M121-M123 WeakPolarHBondContact CE-SD 3.21Å; M121-F176 CarbonylContact C-O 3.41Å; M121-F176 VanDerWaalsContact CA-O 3.23Å; M121-F176 WeakPolarHBondContact CA-O 3.35Å; M121-F176 WeakPolarHBondContact CB-O 3.36Å |
| 122 | L | 94 | Very high | 94.5 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 121.4 | 168.9 | 178.4 | 71.4 | 0 | 0 | 0 | 108.6 | Y115 L149 S175 F176 L183 L212 L218 | Y115-L122 HydrophobicContact CD2-CB 4.46Å; L122-L149 HydrophobicContact CD2-CD1 3.8Å; L122-L149 HydrophobicContact CD2-CD2 4.45Å; L122-S175 CarbonylContact O-C 3.55Å; L122-S175 WeakPolarHBondContact O-CA 3.42Å; L122-F176 HydrophobicContact CB-CB 4.41Å; L122-F176 PolarHBondContact N-O 2.66Å; L122-F176 PolarHBondContact O-N 2.52Å; L122-L183 HydrophobicContact CB-CD2 4.27Å; L122-L183 HydrophobicContact CD1-CD1 4.33Å; L122-L183 HydrophobicContact CD2-CD2 4.38Å; L122-L212 HydrophobicContact CD2-CD1 3.8Å; L122-L218 HydrophobicContact CD1-CD1 3.99Å; L122-L218 HydrophobicContact CD1-CD2 4.48Å |
| 123 | M | 94.8 | Very high | 94.4 | Very high | 5 Ų | 5 | 53.1 Ų | 53.1 | 3% | 0.025 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 132.4 | 176.7 | -57.8 | -65.9 | -76.4 | 0 | 0 | 109.5 | V16 L113 R114 D116 M121 V173 F174 W221 | V16-M123 HydrophobicContact CG1-CE 4.41Å; V16-M123 HydrophobicContact CG2-CE 4.24Å; L113-M123 WeakPolarHBondContact CA-O 3.49Å; R114-M123 HydrophobicContact CG-CB 3.62Å; R114-M123 HydrophobicContact CG-CG 4.09Å; R114-M123 PolarHBondContact N-O 3.06Å; R114-M123 WeakPolarHBondContact O-CB 3.4Å; R114-M123 PolarHBondContact O-N 2.81Å; D116-M123 HydrophobicContact CB-CG 4.14Å; M121-M123 HydrophobicContact CE-CE 4.25Å; M121-M123 HydrophobicContact CE-SD 3.25Å; M121-M123 WeakPolarHBondContact CE-SD 3.21Å; M123-V173 HydrophobicContact CE-CG1 3.63Å; M123-F174 WeakPolarHBondContact CA-O 3.38Å; M123-W221 HydrophobicContact CB-CH2 3.73Å; M123-W221 HydrophobicContact CB-CZ2 4.47Å; M123-W221 HydrophobicContact CB-CZ3 4.13Å |
| 124 | M | 95.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 122.7 | 174.3 | 177.4 | -167.9 | 171.4 | 0 | 0 | 109.1 | F111 S112 L113 L126 A147 V173 F174 F176 L188 C190 | F111-M124 HydrophobicContact CB-CE 3.62Å; F111-M124 HydrophobicContact CB-CG 4.35Å; F111-M124 HydrophobicContact CD1-CE 4.23Å; F111-M124 HydrophobicContact CD2-CE 4.22Å; F111-M124 HydrophobicContact CD2-CG 4.34Å; F111-M124 HydrophobicContact CG-CE 3.77Å; S112-M124 CarbonylContact O-C 3.45Å; S112-M124 WeakPolarHBondContact O-CA 3.42Å; L113-M124 HydrophobicContact CD2-CB 3.82Å; L113-M124 HydrophobicContact CD2-CG 3.91Å; M124-L126 HydrophobicContact CE-CB 4.06Å; M124-L126 HydrophobicContact CE-CD1 3.99Å; M124-A147 HydrophobicContact SD-CB 3.91Å; M124-V173 CarbonylContact O-C 3.4Å; M124-V173 WeakPolarHBondContact O-CA 3.11Å; M124-F174 HydrophobicContact CB-CB 4.46Å; M124-F174 PolarHBondContact N-O 3.35Å; M124-F174 PolarHBondContact O-N 3.34Å; M124-F174 HydrophobicContact SD-CD2 4.18Å; M124-F176 HydrophobicContact CB-CE2 4.28Å; M124-F176 HydrophobicContact SD-CE2 4.45Å; M124-L188 HydrophobicContact CG-CD2 4.32Å; M124-L188 HydrophobicContact SD-CD1 4.06Å; M124-L188 HydrophobicContact SD-CD2 3.9Å; M124-L188 HydrophobicContact SD-CG 4.43Å; M124-C190 WeakPolarHBondContact CE-SG 3.49Å |
| 125 | H | 96.8 | Very high | 93.7 | Very high | 45 Ų | 45 | 53.2 Ų | 53.2 | 21% | 0.208 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 104 | 168.3 | 179.7 | -152.3 | 0 | 0 | 0 | 107.9 | F111 S112 I127 E172 V173 W221 | F111-H125 CarbonylContact C-O 3.57Å; F111-H125 WeakPolarHBondContact CA-O 3.44Å; F111-H125 VanDerWaalsContact CB-O 3.28Å; F111-H125 WeakPolarHBondContact CB-O 3.17Å; S112-H125 PolarHBondContact N-O 2.89Å; S112-H125 PolarHBondContact O-N 2.64Å; S112-H125 WeakPolarHBondContact OG-CB 3.48Å; H125-I127 PolarHBondContact O-N 3.41Å; H125-E172 CarbonylContact C-O 3.57Å; H125-V173 HydrophobicContact CB-CG2 3.86Å; H125-W221 HydrophobicContact CB-CE3 4.11Å; H125-W221 HydrophobicContact CB-CH2 3.75Å; H125-W221 HydrophobicContact CB-CZ2 4.46Å; H125-W221 HydrophobicContact CB-CZ3 3.56Å |
| 126 | L | 97.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 109.4 | 172 | 177.1 | 62.7 | 0 | 0 | 0 | 108.3 | I109 M124 V145 F170 N171 E172 F174 | I109-L126 HydrophobicContact CD1-CD1 3.61Å; I109-L126 HydrophobicContact CG1-CD1 3.83Å; M124-L126 HydrophobicContact CE-CB 4.06Å; M124-L126 HydrophobicContact CE-CD1 3.99Å; L126-V145 HydrophobicContact CD1-CG2 4.42Å; L126-V145 HydrophobicContact CD2-CB 3.72Å; L126-V145 HydrophobicContact CD2-CG1 4.24Å; L126-V145 HydrophobicContact CD2-CG2 3.86Å; L126-F170 HydrophobicContact CD1-CD2 4.05Å; L126-F170 HydrophobicContact CD1-CE2 4.5Å; L126-F170 HydrophobicContact CD2-CB 3.87Å; L126-F170 HydrophobicContact CD2-CD1 4.08Å; L126-F170 HydrophobicContact CD2-CD2 3.77Å; L126-F170 HydrophobicContact CD2-CE2 4.32Å; L126-F170 HydrophobicContact CD2-CG 3.63Å; L126-F170 HydrophobicContact CG-CB 3.8Å; L126-F170 HydrophobicContact CG-CD2 3.69Å; L126-F170 HydrophobicContact CG-CE2 4.49Å; L126-F170 HydrophobicContact CG-CG 3.84Å; L126-N171 CarbonylContact O-C 3.48Å; L126-N171 VanDerWaalsContact O-CA 3.27Å; L126-N171 WeakPolarHBondContact O-CA 3.32Å; L126-N171 PolarHBondContact O-N 3.49Å; L126-E172 PolarHBondContact N-O 3.15Å; L126-E172 PolarHBondContact O-N 3.25Å; L126-F174 HydrophobicContact CB-CD2 4.44Å; L126-F174 HydrophobicContact CB-CE2 3.93Å; L126-F174 HydrophobicContact CD2-CE2 3.86Å; L126-F174 HydrophobicContact CD2-CZ 4.29Å |
| 127 | I | 97.1 | Very high | 92.7 | Very high | 23 Ų | 23 | 60 Ų | 60 | 12% | 0.118 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | -66.3 | -171.2 | -54.3 | -179.1 | 0 | 0 | 0 | 109.5 | T110 H125 E169 F170 N171 E223 | T110-I127 HydrophobicContact CG2-CB 4.45Å; T110-I127 HydrophobicContact CG2-CD1 4.18Å; T110-I127 WeakPolarHBondContact O-CB 3.15Å; T110-I127 PolarHBondContact O-N 3.06Å; H125-I127 PolarHBondContact O-N 3.41Å; I127-E169 CarbonylContact O-C 3.6Å; I127-F170 PolarHBondContact O-N 3.34Å; I127-N171 PolarHBondContact O-N 2.99Å; I127-E223 HydrophobicContact CD1-CG 4.13Å; I127-E223 WeakPolarHBondContact CD1-OE2 3.33Å |
| 128 | R | 97.3 | Very high | 92.3 | Very high | 89 Ų | 89 | 60.2 Ų | 60.2 | 34% | 0.336 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 165.9 | -172.7 | 60.8 | -170.5 | -176.8 | 127.6 | 15.5 | 111.9 | T110 E130 P168 E169 | T110-R128 PolarHBondContact N-O 3.06Å; T110-R128 PolarHBondContact O-N 3.27Å; R128-E130 VanDerWaalsContact CZ-CD 3.49Å; R128-E130 IonicContact CZ-OE1 3.26Å; R128-E130 VanDerWaalsContact CZ-OE1 3.23Å; R128-E130 IonicContact CZ-OE2 3.35Å; R128-E130 VanDerWaalsContact NH1-CD 3.31Å; R128-E130 IonicContact NH1-OE1 3.32Å; R128-E130 PolarHBondContact NH1-OE1 3.27Å; R128-E130 IonicContact NH1-OE2 3.23Å; R128-E130 IonicContact NH2-OE1 2.67Å; R128-E130 PolarHBondContact NH2-OE1 2.84Å; R128-E130 IonicContact NH2-OE2 3.96Å; R128-E130 PolarHBondContact NH2-OE2 3.25Å; R128-P168 CarbonylContact C-O 3.44Å; R128-P168 WeakPolarHBondContact CA-O 3.34Å; R128-P168 WeakPolarHBondContact CB-O 3.16Å; R128-E169 HydrophobicContact CB-CG 4.4Å |
| 129 | A | 97.1 | Very high | 92.1 | Very high | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.008 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 153.3 | 159.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q108 I109 V132 N167 P168 F170 I228 | Q108-A129 CarbonylContact O-C 3.52Å; Q108-A129 WeakPolarHBondContact O-CA 3.43Å; Q108-A129 WeakPolarHBondContact O-CB 3.41Å; I109-A129 HydrophobicContact CG1-CB 4.42Å; A129-V132 HydrophobicContact CB-CG2 3.51Å; A129-N167 CarbonylContact O-C 3.6Å; A129-N167 WeakPolarHBondContact O-CA 3.43Å; A129-P168 HydrophobicContact CB-CG 3.82Å; A129-P168 PolarHBondContact N-O 2.8Å; A129-P168 WeakPolarHBondContact O-CD 3.18Å; A129-F170 HydrophobicContact CB-CE2 4.08Å; A129-I228 HydrophobicContact CB-CD1 4.47Å |
| 130 | E | 95.7 | Very high | 92.1 | Very high | 50 Ų | 50 | 55.3 Ų | 55.3 | 23% | 0.234 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 140 | -177.8 | -66.9 | -178.9 | 122.4 | 0 | 0 | 110.2 | G107 Q108 R128 V132 N167 | G107-E130 CarbonylContact C-O 3.49Å; G107-E130 VanDerWaalsContact CA-O 3.27Å; G107-E130 WeakPolarHBondContact CA-O 3.21Å; Q108-E130 PolarHBondContact N-O 2.85Å; Q108-E130 PolarHBondContact O-N 3.28Å; R128-E130 VanDerWaalsContact CZ-CD 3.49Å; R128-E130 IonicContact CZ-OE1 3.26Å; R128-E130 VanDerWaalsContact CZ-OE1 3.23Å; R128-E130 IonicContact CZ-OE2 3.35Å; R128-E130 VanDerWaalsContact NH1-CD 3.31Å; R128-E130 IonicContact NH1-OE1 3.32Å; R128-E130 PolarHBondContact NH1-OE1 3.27Å; R128-E130 IonicContact NH1-OE2 3.23Å; R128-E130 IonicContact NH2-OE1 2.67Å; R128-E130 PolarHBondContact NH2-OE1 2.84Å; R128-E130 IonicContact NH2-OE2 3.96Å; R128-E130 PolarHBondContact NH2-OE2 3.25Å; E130-V132 VanDerWaalsContact C-N 3.27Å; E130-V132 PolarHBondContact O-N 2.89Å; E130-N167 WeakPolarHBondContact CA-OD1 3.2Å |
| 131 | N | 94.6 | Very high | 92.1 | Very high | 97 Ų | 97 | 47.3 Ų | 47.3 | 52% | 0.519 | 25% | 0.248 | S | C | . | . | S | Bend | trans | 51.9 | 42.5 | 178.3 | -58.5 | -41.5 | 0 | 0 | 0 | 113.2 | G107 Q133 L166 N167 | G107-N131 WeakPolarHBondContact CA-O 3.4Å; G107-N131 PolarHBondContact N-O 2.85Å; N131-Q133 WeakPolarHBondContact O-CG 3.35Å; N131-Q133 PolarHBondContact O-N 2.83Å; N131-L166 PolarHBondContact N-O 2.7Å; N131-N167 PolarHBondContact N-OD1 2.89Å |
| 132 | V | 94.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.25 | C | C | . | . | trans | -63.6 | 115.3 | 179.8 | 179 | 0 | 0 | 0 | 0 | 110.1 | R106 A129 E130 P134 P141 P143 L166 P168 V192 I204 I228 | R106-V132 WeakPolarHBondContact O-CA 3Å; A129-V132 HydrophobicContact CB-CG2 3.51Å; E130-V132 VanDerWaalsContact C-N 3.27Å; E130-V132 PolarHBondContact O-N 2.89Å; V132-P134 WeakPolarHBondContact O-CD 3.33Å; V132-P141 HydrophobicContact CG1-CG 4.3Å; V132-P143 HydrophobicContact CG1-CB 4.48Å; V132-L166 WeakPolarHBondContact CB-O 3.09Å; V132-L166 WeakPolarHBondContact CG2-O 3.23Å; V132-L166 PolarHBondContact N-O 2.94Å; V132-L166 WeakPolarHBondContact O-CD2 3.43Å; V132-P168 HydrophobicContact CG2-CG 4.41Å; V132-V192 HydrophobicContact CG1-CG1 4.28Å; V132-I204 HydrophobicContact CG1-CD1 3.4Å; V132-I204 HydrophobicContact CG1-CG2 3.98Å; V132-I228 HydrophobicContact CG2-CD1 4.21Å | ||
| 133 | Q | 92 | Very high | 92.4 | Very high | 100 Ų | 100 | 47.5 Ų | 47.5 | 47% | 0.467 | 25% | 0.25 | S | C | . | . | trans | -102.8 | 103.4 | -175.3 | -62.7 | 179.3 | 32.9 | 0 | 0 | 111.6 | R106 N131 I204 | R106-Q133 HydrophobicContact CB-CB 4.37Å; R106-Q133 PolarHBondContact NH1-O 2.87Å; R106-Q133 PolarHBondContact O-N 2.89Å; N131-Q133 WeakPolarHBondContact O-CG 3.35Å; N131-Q133 PolarHBondContact O-N 2.83Å; Q133-I204 WeakPolarHBondContact O-CG2 3.49Å | ||
| 134 | P | 89 | Confident | 92.5 | Very high | 8 Ų | 8 | 47.6 Ų | 47.6 | 5% | 0.052 | 25% | 0.25 | C | C | . | . | trans | -65.4 | 164.9 | 177.2 | 26.8 | -32.8 | 0 | 0 | 0 | 112.7 | R106 V132 D136 P141 | R106-P134 PolarHBondContact NH1-O 2.95Å; V132-P134 WeakPolarHBondContact O-CD 3.33Å; P134-D136 WeakPolarHBondContact CG-O 3.25Å; P134-P141 HydrophobicContact CB-CB 4.07Å; P134-P141 HydrophobicContact CG-CB 4.17Å; P134-P141 HydrophobicContact CG-CG 4.2Å | ||
| 135 | N | 84 | Confident | 92.6 | Very high | 74 Ų | 74 | 47.6 Ų | 47.6 | 40% | 0.396 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -66.8 | -38.7 | 171.1 | -68.1 | -33.3 | 0 | 0 | 0 | 112.1 | R106 I203 | R106-N135 PolarHBondContact NH1-OD1 2.75Å; R106-N135 PolarHBondContact NH2-OD1 2.69Å; N135-I203 PolarHBondContact ND2-O 2.84Å |
| 136 | D | 83.4 | Confident | 92.5 | Very high | 69 Ų | 69 | 46.8 Ų | 46.8 | 37% | 0.369 | 25% | 0.246 | S | C | . | . | trans | -93.4 | 97.2 | 171.6 | -178.6 | 10 | 0 | 0 | 0 | 110.6 | P134 C138 R139 | P134-D136 WeakPolarHBondContact CG-O 3.25Å; D136-C138 PolarHBondContact O-N 3.25Å; D136-C138 WeakPolarHBondContact OD1-CB 3.43Å; D136-C138 PolarHBondContact OD1-N 3.29Å; D136-C138 PolarHBondContact OD1-SG 3.5Å; D136-C138 VanDerWaalsContact OD1-SG 3.34Å; D136-R139 PolarHBondContact O-N 3.29Å | ||
| 137 | S | 81.6 | Confident | 92.3 | Very high | 109 Ų | 109 | 46.8 Ų | 46.8 | 76% | 0.762 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -7.5 | 178.5 | -43.9 | 0 | 0 | 0 | 0 | 113.9 | R139 | S137-R139 VanDerWaalsContact C-N 3.25Å; S137-R139 PolarHBondContact O-N 3.31Å |
| 138 | C | 83 | Confident | 92 | Very high | 124 Ų | 124 | 46.8 Ų | 46.8 | 84% | 0.838 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -16 | 179.9 | -55.7 | 0 | 0 | 0 | 0 | 112.9 | D136 | D136-C138 PolarHBondContact O-N 3.25Å; D136-C138 WeakPolarHBondContact OD1-CB 3.43Å; D136-C138 PolarHBondContact OD1-N 3.29Å; D136-C138 PolarHBondContact OD1-SG 3.5Å; D136-C138 VanDerWaalsContact OD1-SG 3.34Å |
| 139 | R | 87.8 | Confident | 91.6 | Very high | 66 Ų | 66 | 42.9 Ų | 42.9 | 25% | 0.249 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -129.6 | 156.6 | 178.8 | 69.9 | 176.6 | -172.7 | 81.1 | -5.5 | 111.6 | D136 S137 D194 E196 | D136-R139 PolarHBondContact O-N 3.29Å; S137-R139 VanDerWaalsContact C-N 3.25Å; S137-R139 PolarHBondContact O-N 3.31Å; R139-D194 IonicContact CZ-OD1 3.33Å; R139-D194 IonicContact CZ-OD2 3.11Å; R139-D194 VanDerWaalsContact NH1-CG 3.28Å; R139-D194 IonicContact NH1-OD1 3.57Å; R139-D194 PolarHBondContact NH1-OD1 2.65Å; R139-D194 IonicContact NH1-OD2 3.89Å; R139-D194 PolarHBondContact NH1-OD2 2.84Å; R139-D194 IonicContact NH2-OD1 3.42Å; R139-D194 PolarHBondContact NH2-OD1 2.82Å; R139-D194 IonicContact NH2-OD2 3.16Å; R139-D194 PolarHBondContact NH2-OD2 3.42Å; R139-E196 IonicContact CZ-OE1 3.1Å; R139-E196 IonicContact NE-OE1 3.27Å; R139-E196 IonicContact NH2-OE1 2.9Å; R139-E196 PolarHBondContact NH2-OE1 2.76Å |
| 140 | Q | 91.3 | Very high | 90.8 | Very high | 105 Ų | 105 | 42.8 Ų | 42.8 | 49% | 0.491 | 23% | 0.23 | S | C | . | . | trans | -73.1 | 142.7 | 165.9 | -65.6 | -170.4 | 37.2 | 0 | 0 | 109.8 | K164 | Q140-K164 HydrophobicContact CB-CB 4.01Å; Q140-K164 PolarHBondContact OE1-O 3.23Å | ||
| 141 | P | 94.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -73.8 | 160.6 | 179.9 | 29.6 | -31.9 | 0 | 0 | 0 | 111.3 | V132 P134 P143 K164 S165 L166 D194 I204 | V132-P141 HydrophobicContact CG1-CG 4.3Å; P134-P141 HydrophobicContact CB-CB 4.07Å; P134-P141 HydrophobicContact CG-CB 4.17Å; P134-P141 HydrophobicContact CG-CG 4.2Å; P141-P143 WeakPolarHBondContact O-CD 3.47Å; P141-K164 CarbonylContact O-C 3.53Å; P141-K164 WeakPolarHBondContact O-CA 3.41Å; P141-K164 PolarHBondContact O-N 2.86Å; P141-K164 VanDerWaalsContact O-N 3.11Å; P141-S165 WeakPolarHBondContact CG-O 3.21Å; P141-S165 PolarHBondContact O-N 2.97Å; P141-L166 VanDerWaalsContact CD-CD2 3.42Å; P141-L166 HydrophobicContact CG-CD2 3.89Å; P141-D194 WeakPolarHBondContact CA-OD2 3.25Å; P141-D194 HydrophobicContact CB-CB 4.45Å; P141-D194 WeakPolarHBondContact CB-OD2 3.37Å; P141-I204 HydrophobicContact CB-CD1 4.05Å | ||
| 142 | N | 95.8 | Very high | 88.6 | Confident | 33 Ų | 33 | 42.2 Ų | 42.2 | 18% | 0.176 | 23% | 0.229 | C | C | . | . | trans | -108.8 | 73.4 | 165.5 | -55 | -59.1 | 0 | 0 | 0 | 109.4 | I161 H162 K163 K164 D194 Y195 | N142-I161 HydrophobicContact CB-CG2 4.02Å; N142-H162 CarbonylContact C-O 3.41Å; N142-H162 WeakPolarHBondContact CA-O 3.45Å; N142-K163 WeakPolarHBondContact OD1-CA 3.37Å; N142-K164 PolarHBondContact OD1-N 3.12Å; N142-D194 PolarHBondContact N-OD1 2.78Å; N142-Y195 PolarHBondContact ND2-O 2.61Å; N142-Y195 WeakPolarHBondContact O-CB 3.27Å; N142-Y195 PolarHBondContact O-N 3.2Å | ||
| 143 | P | 97.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 139.5 | -168.2 | 26.6 | -36.2 | 0 | 0 | 0 | 113 | V132 P141 H162 S165 P168 V192 Y193 | V132-P143 HydrophobicContact CG1-CB 4.48Å; P141-P143 WeakPolarHBondContact O-CD 3.47Å; P143-H162 WeakPolarHBondContact CD-O 3.47Å; P143-H162 HydrophobicContact CG-CB 4.25Å; P143-H162 PolarHBondContact O-N 2.95Å; P143-S165 VanDerWaalsContact CD-O 3.31Å; P143-S165 WeakPolarHBondContact CD-O 2.99Å; P143-S165 VanDerWaalsContact CG-O 3.29Å; P143-S165 WeakPolarHBondContact CG-O 3.1Å; P143-P168 HydrophobicContact CB-CG 4.04Å; P143-P168 HydrophobicContact CG-CB 3.76Å; P143-P168 HydrophobicContact CG-CG 3.53Å; P143-V192 HydrophobicContact CB-CG1 4.43Å; P143-Y193 VanDerWaalsContact CA-O 3.23Å; P143-Y193 WeakPolarHBondContact CA-O 3.16Å |
| 144 | Y | 97.5 | Very high | 86.5 | Confident | 6 Ų | 6 | 49 Ų | 49 | 2% | 0.024 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 158.2 | 160 | 75.2 | -86.6 | 0 | 0 | 0 | 109.6 | K146 R158 S159 G160 I161 Y193 H201 | Y144-K146 HydrophobicContact CD2-CG 4.47Å; Y144-K146 HydrophobicContact CE2-CG 3.88Å; Y144-R158 HydrophobicContact CD2-CG 3.8Å; Y144-R158 VanDerWaalsContact CD2-NE 3.26Å; Y144-R158 HydrophobicContact CE2-CG 4.14Å; Y144-R158 VanDerWaalsContact CE2-NE 3.31Å; Y144-S159 WeakPolarHBondContact CA-OG 3.35Å; Y144-G160 WeakPolarHBondContact CB-O 3.29Å; Y144-I161 HydrophobicContact CD1-CG1 4.06Å; Y144-I161 HydrophobicContact CG-CG1 4.15Å; Y144-Y193 HydrophobicContact CD2-CD2 4.49Å; Y144-Y193 HydrophobicContact CE1-CG 4.04Å; Y144-Y193 AromaticContact CE2-CD2 3.77Å; Y144-Y193 HydrophobicContact CE2-CD2 3.77Å; Y144-Y193 AromaticContact CE2-CG 3.95Å; Y144-Y193 HydrophobicContact CE2-CG 3.95Å; Y144-Y193 AromaticContact CZ-CD2 3.84Å; Y144-Y193 AromaticContact CZ-CG 3.51Å; Y144-Y193 PolarHBondContact N-O 2.66Å; Y144-Y193 PolarHBondContact O-N 3.4Å; Y144-Y193 WeakPolarHBondContact OH-CB 3.37Å; Y144-Y193 WeakPolarHBondContact OH-CD1 3.21Å; Y144-Y193 VanDerWaalsContact OH-CG 3.27Å; Y144-H201 HydrophobicContact CE1-CB 4.41Å; Y144-H201 AromaticContact CE1-ND1 3.45Å; Y144-H201 WeakPolarHBondContact CE1-ND1 3.28Å; Y144-H201 AromaticContact CZ-ND1 3.51Å; Y144-H201 PolarHBondContact OH-ND1 3.26Å |
| 145 | V | 96.9 | Very high | 86 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 136 | -176.1 | -176.2 | 0 | 0 | 0 | 0 | 109.6 | I109 L126 R158 S159 F170 C190 T191 V192 | I109-V145 HydrophobicContact CD1-CG1 4.13Å; I109-V145 HydrophobicContact CD1-CG2 3.97Å; L126-V145 HydrophobicContact CD1-CG2 4.42Å; L126-V145 HydrophobicContact CD2-CB 3.72Å; L126-V145 HydrophobicContact CD2-CG1 4.24Å; L126-V145 HydrophobicContact CD2-CG2 3.86Å; V145-R158 WeakPolarHBondContact O-CA 3.17Å; V145-S159 PolarHBondContact N-OG 3.14Å; V145-S159 PolarHBondContact O-N 3.25Å; V145-F170 HydrophobicContact CG2-CE1 4.18Å; V145-F170 HydrophobicContact CG2-CE2 3.9Å; V145-F170 HydrophobicContact CG2-CZ 3.63Å; V145-C190 HydrophobicContact CG1-CB 3.87Å; V145-T191 CarbonylContact C-O 3.56Å; V145-T191 WeakPolarHBondContact CA-O 3.27Å; V145-V192 HydrophobicContact CG2-CG2 4.31Å |
| 146 | K | 94.7 | Very high | 86.3 | Confident | 29 Ų | 29 | 51.2 Ų | 51.2 | 13% | 0.126 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 126.5 | 160.3 | -65.5 | -167.7 | 173 | -166.8 | 0 | 108.9 | Y144 Y148 Y156 C157 R158 C190 T191 Y193 | Y144-K146 HydrophobicContact CD2-CG 4.47Å; Y144-K146 HydrophobicContact CE2-CG 3.88Å; K146-Y148 HydrophobicContact CB-CD2 4.43Å; K146-Y148 HydrophobicContact CB-CE2 3.67Å; K146-Y148 HydrophobicContact CD-CE2 4.37Å; K146-Y148 WeakPolarHBondContact CD-OH 3.48Å; K146-Y156 HydrophobicContact CB-CD2 4.27Å; K146-Y156 HydrophobicContact CD-CD2 3.88Å; K146-Y156 HydrophobicContact CD-CE2 3.82Å; K146-Y156 HydrophobicContact CG-CD2 4.06Å; K146-Y156 HydrophobicContact CG-CE2 4.21Å; K146-C157 CarbonylContact C-O 3.55Å; K146-C157 WeakPolarHBondContact CA-O 3.3Å; K146-R158 HydrophobicContact CG-CG 4.27Å; K146-C190 CarbonylContact O-C 3.58Å; K146-C190 WeakPolarHBondContact O-CA 3.12Å; K146-T191 PolarHBondContact N-O 3.44Å; K146-T191 PolarHBondContact O-N 3.35Å; K146-Y193 HydrophobicContact CB-CE2 4.01Å; K146-Y193 HydrophobicContact CD-CE2 3.8Å; K146-Y193 HydrophobicContact CG-CD2 4.12Å; K146-Y193 HydrophobicContact CG-CE2 3.76Å |
| 147 | A | 94.4 | Very high | 86.8 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 130.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | M124 Y156 C157 F174 F176 Q189 | M124-A147 HydrophobicContact SD-CB 3.91Å; A147-Y156 VanDerWaalsContact O-CA 3.31Å; A147-Y156 WeakPolarHBondContact O-CA 3.31Å; A147-Y156 WeakPolarHBondContact O-CB 3.49Å; A147-C157 PolarHBondContact N-O 3.33Å; A147-C157 PolarHBondContact O-N 2.84Å; A147-F174 HydrophobicContact CB-CD2 4.3Å; A147-F176 HydrophobicContact CB-CZ 3.77Å; A147-F176 WeakPolarHBondContact O-CE1 3.34Å; A147-Q189 CarbonylContact C-O 3.51Å; A147-Q189 VanDerWaalsContact CA-O 3.26Å; A147-Q189 WeakPolarHBondContact CA-O 3.31Å |
| 148 | Y | 89.5 | Confident | 87.4 | Confident | 23 Ų | 23 | 47.3 Ų | 47.3 | 9% | 0.09 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 140.6 | -179.4 | -63.1 | -97.6 | 0 | 0 | 0 | 110 | K146 R153 Y156 L188 Q189 | K146-Y148 HydrophobicContact CB-CD2 4.43Å; K146-Y148 HydrophobicContact CB-CE2 3.67Å; K146-Y148 HydrophobicContact CD-CE2 4.37Å; K146-Y148 WeakPolarHBondContact CD-OH 3.48Å; Y148-R153 WeakPolarHBondContact CE1-O 3.45Å; Y148-Y156 AromaticContact CE1-CD1 3.95Å; Y148-Y156 HydrophobicContact CE1-CD1 3.95Å; Y148-Y156 AromaticContact CE1-CG 3.92Å; Y148-Y156 HydrophobicContact CE1-CG 3.92Å; Y148-Y156 AromaticContact CZ-CG 3.93Å; Y148-L188 WeakPolarHBondContact O-CA 3.2Å; Y148-Q189 PolarHBondContact N-O 3.19Å; Y148-Q189 PolarHBondContact O-N 2.76Å |
| 149 | L | 89.6 | Confident | 88.1 | Confident | 6 Ų | 6 | 41.7 Ų | 41.7 | 3% | 0.031 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 94.9 | 167.6 | -170.4 | 66.9 | 0 | 0 | 0 | 109.8 | L122 E152 F176 A178 L183 R186 L212 | L122-L149 HydrophobicContact CD2-CD1 3.8Å; L122-L149 HydrophobicContact CD2-CD2 4.45Å; L149-E152 PolarHBondContact O-N 2.93Å; L149-F176 HydrophobicContact CB-CB 4.01Å; L149-F176 HydrophobicContact CB-CD1 3.63Å; L149-F176 HydrophobicContact CB-CD2 4.49Å; L149-F176 HydrophobicContact CB-CE1 4.21Å; L149-F176 HydrophobicContact CB-CG 3.8Å; L149-F176 HydrophobicContact CD2-CB 3.66Å; L149-F176 HydrophobicContact CD2-CG 4.3Å; L149-F176 HydrophobicContact CG-CB 4.42Å; L149-A178 HydrophobicContact CD2-CB 3.48Å; L149-A178 VanDerWaalsContact CD2-CB 3.48Å; L149-L183 HydrophobicContact CD2-CD2 4.3Å; L149-R186 HydrophobicContact CD1-CB 3.67Å; L149-R186 HydrophobicContact CD1-CG 4.27Å; L149-R186 HydrophobicContact CD2-CB 4.48Å; L149-R186 HydrophobicContact CD2-CG 4.19Å; L149-R186 HydrophobicContact CG-CB 4Å; L149-R186 HydrophobicContact CG-CG 4.11Å; L149-L212 HydrophobicContact CD1-CD1 3.96Å |
| 150 | L | 79.2 | Confident | 88.5 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 151 | -173.4 | -56.7 | 171.3 | 0 | 0 | 0 | 111.5 | R153 R186 M187 Q189 Y261 | L150-R153 HydrophobicContact CD2-CG 3.88Å; L150-R186 VanDerWaalsContact O-CA 3.26Å; L150-R186 WeakPolarHBondContact O-CA 3.4Å; L150-R186 WeakPolarHBondContact O-CD 3.28Å; L150-M187 HydrophobicContact CB-CB 4.25Å; L150-M187 WeakPolarHBondContact CB-O 3.48Å; L150-M187 HydrophobicContact CD1-CB 4.28Å; L150-M187 HydrophobicContact CD1-CE 4.46Å; L150-M187 PolarHBondContact N-O 2.88Å; L150-M187 PolarHBondContact O-N 2.84Å; L150-M187 VanDerWaalsContact O-N 3.16Å; L150-Q189 HydrophobicContact CD1-CB 3.53Å; L150-Q189 HydrophobicContact CD1-CG 4.42Å; L150-Q189 HydrophobicContact CG-CB 4.08Å; L150-Y261 HydrophobicContact CB-CE2 3.79Å; L150-Y261 HydrophobicContact CD1-CD1 4.43Å; L150-Y261 HydrophobicContact CD1-CE1 3.5Å; L150-Y261 HydrophobicContact CD1-CE2 3.84Å; L150-Y261 WeakPolarHBondContact CD1-OH 3.34Å; L150-Y261 HydrophobicContact CD2-CE2 4.06Å; L150-Y261 WeakPolarHBondContact CD2-OH 3.37Å; L150-Y261 HydrophobicContact CG-CE2 4.09Å; L150-Y261 WeakPolarHBondContact CG-OH 3.04Å |
| 151 | P | 68.8 | Low | 88.8 | Confident | 55 Ų | 55 | 38.2 Ų | 38.2 | 36% | 0.357 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -77.2 | -6.7 | 6.7 | 29.5 | -40 | 0 | 0 | 0 | 117.1 | R153 R186 | P151-R153 PolarHBondContact O-N 2.82Å; P151-R153 VanDerWaalsContact O-N 3.16Å; P151-R186 VanDerWaalsContact CD-NH1 3.29Å |
| 152 | E | 75.5 | Confident | 88.9 | Confident | 80 Ų | 80 | 40.6 Ų | 40.6 | 37% | 0.374 | 20% | 0.196 | S | C | . | . | trans | -64.4 | 118.7 | 176.6 | -76.1 | 101.2 | -143.3 | 0 | 0 | 110.4 | L149 R186 | L149-E152 PolarHBondContact O-N 2.93Å; E152-R186 VanDerWaalsContact CD-CZ 3.42Å; E152-R186 VanDerWaalsContact CD-NH2 3.3Å; E152-R186 IonicContact OE1-CZ 3.51Å; E152-R186 IonicContact OE1-NH1 3.4Å; E152-R186 PolarHBondContact OE1-NH1 2.8Å; E152-R186 IonicContact OE1-NH2 3.51Å; E152-R186 PolarHBondContact OE1-NH2 2.89Å; E152-R186 IonicContact OE2-CZ 3.03Å; E152-R186 IonicContact OE2-NE 3.67Å; E152-R186 IonicContact OE2-NH1 2.66Å; E152-R186 PolarHBondContact OE2-NH1 2.96Å; E152-R186 IonicContact OE2-NH2 3.21Å; E152-R186 PolarHBondContact OE2-NH2 3.38Å; E152-R186 VanDerWaalsContact OE2-NH2 3.07Å | ||
| 153 | R | 70.9 | Confident | 88.9 | Confident | 95 Ų | 95 | 47.5 Ų | 47.5 | 36% | 0.358 | 22% | 0.224 | S | C | . | . | trans | -105.2 | -13.1 | 175.4 | -73.4 | -172.7 | 169.9 | -169.9 | -0.9 | 113.6 | Y148 L150 P151 H155 Y261 N262 H300 | Y148-R153 WeakPolarHBondContact CE1-O 3.45Å; L150-R153 HydrophobicContact CD2-CG 3.88Å; P151-R153 PolarHBondContact O-N 2.82Å; P151-R153 VanDerWaalsContact O-N 3.16Å; R153-H155 VanDerWaalsContact C-N 3.3Å; R153-H155 PolarHBondContact O-N 3.47Å; R153-Y261 PolarHBondContact NE-OH 2.8Å; R153-Y261 PolarHBondContact NH2-OH 2.74Å; R153-N262 PolarHBondContact NH2-OD1 3.07Å; R153-H300 PolarHBondContact NH2-CE1 2.81Å | ||
| 154 | H | 71.4 | Confident | 88.7 | Confident | 146 Ų | 146 | 54.8 Ų | 54.8 | 68% | 0.676 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -71.2 | -28 | -176.5 | -61.8 | -64 | 0 | 0 | 0 | 112.7 | E22 | E22-H154 PolarHBondContact N-O 3.2Š|
| 155 | H | 79.8 | Confident | 88.6 | Confident | 97 Ų | 97 | 56 Ų | 56 | 45% | 0.449 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 127 | -178.2 | -59.4 | -168.7 | 0 | 0 | 0 | 108.7 | C19 D21 R153 | C19-H155 HydrophobicContact CB-CB 4.43Å; D21-H155 IonicContact OD1-CD2 3.02Å; D21-H155 PolarHBondContact OD1-CD2 2.87Å; D21-H155 IonicContact OD1-CE1 3.38Å; D21-H155 IonicContact OD1-CG 2.84Å; D21-H155 IonicContact OD1-NE2 2.95Å; D21-H155 PolarHBondContact OD1-NE2 2.53Å; R153-H155 VanDerWaalsContact C-N 3.3Å; R153-H155 PolarHBondContact O-N 3.47Å |
| 156 | Y | 89.9 | Confident | 88.6 | Confident | 33 Ų | 33 | 59.3 Ų | 59.3 | 13% | 0.129 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 151.1 | 172.8 | 67.3 | -87 | 0 | 0 | 0 | 111 | C19 A20 E22 K146 A147 Y148 R158 | C19-Y156 CarbonylContact C-O 3.56Å; C19-Y156 WeakPolarHBondContact CA-O 3.38Å; C19-Y156 WeakPolarHBondContact CB-O 3.33Å; C19-Y156 VanDerWaalsContact SG-C 3.6Å; A20-Y156 PolarHBondContact N-O 2.93Å; A20-Y156 PolarHBondContact O-N 3.18Å; E22-Y156 HydrophobicContact CB-CE1 4.34Å; K146-Y156 HydrophobicContact CB-CD2 4.27Å; K146-Y156 HydrophobicContact CD-CD2 3.88Å; K146-Y156 HydrophobicContact CD-CE2 3.82Å; K146-Y156 HydrophobicContact CG-CD2 4.06Å; K146-Y156 HydrophobicContact CG-CE2 4.21Å; A147-Y156 VanDerWaalsContact O-CA 3.31Å; A147-Y156 WeakPolarHBondContact O-CA 3.31Å; A147-Y156 WeakPolarHBondContact O-CB 3.49Å; Y148-Y156 AromaticContact CE1-CD1 3.95Å; Y148-Y156 HydrophobicContact CE1-CD1 3.95Å; Y148-Y156 AromaticContact CE1-CG 3.92Å; Y148-Y156 HydrophobicContact CE1-CG 3.92Å; Y148-Y156 AromaticContact CZ-CG 3.93Å; Y156-R158 HydrophobicContact CD2-CB 4.18Å; Y156-R158 HydrophobicContact CE2-CB 4Å |
| 157 | C | 93.6 | Very high | 88.7 | Confident | 2 Ų | 2 | 61.9 Ų | 61.9 | 1% | 0.014 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 143.2 | 170.5 | -78.4 | 0 | 0 | 0 | 0 | 108.3 | C19 K146 A147 F174 F176 | C19-C157 WeakPolarHBondContact CA-SG 3.42Å; C19-C157 HydrophobicContact CB-CB 4.43Å; C19-C157 WeakPolarHBondContact CB-SG 3.4Å; C19-C157 PolarHBondContact N-SG 3.32Å; C19-C157 WeakPolarHBondContact SG-CB 3.31Å; C19-C157 PolarHBondContact SG-N 3.4Å; C19-C157 VanDerWaalsContact SG-N 3.44Å; C19-C157 CovalentContact SG-SG 2.08Å; C19-C157 PolarHBondContact SG-SG 3.44Å; K146-C157 CarbonylContact C-O 3.55Å; K146-C157 WeakPolarHBondContact CA-O 3.3Å; A147-C157 PolarHBondContact N-O 3.33Å; A147-C157 PolarHBondContact O-N 2.84Å; C157-F174 HydrophobicContact CB-CB 3.69Å; C157-F174 HydrophobicContact CB-CD1 3.62Å; C157-F174 HydrophobicContact CB-CD2 4Å; C157-F174 HydrophobicContact CB-CE1 4.26Å; C157-F174 HydrophobicContact CB-CG 3.49Å; C157-F174 VanDerWaalsContact CB-CG 3.49Å; C157-F176 HydrophobicContact CB-CE1 4.4Å; C157-F176 HydrophobicContact CB-CZ 4.24Å |
| 158 | R | 95.3 | Very high | 88.8 | Confident | 93 Ų | 93 | 61.9 Ų | 61.9 | 35% | 0.351 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 133 | -174.3 | -174.2 | -169.5 | 173.4 | 175.9 | 0.1 | 109.9 | Y144 V145 K146 Y156 | Y144-R158 HydrophobicContact CD2-CG 3.8Å; Y144-R158 VanDerWaalsContact CD2-NE 3.26Å; Y144-R158 HydrophobicContact CE2-CG 4.14Å; Y144-R158 VanDerWaalsContact CE2-NE 3.31Å; V145-R158 WeakPolarHBondContact O-CA 3.17Å; K146-R158 HydrophobicContact CG-CG 4.27Å; Y156-R158 HydrophobicContact CD2-CB 4.18Å; Y156-R158 HydrophobicContact CE2-CB 4Å |
| 159 | S | 97.2 | Very high | 89.2 | Confident | 6 Ų | 6 | 66.9 Ų | 66.9 | 4% | 0.042 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -74.4 | 164.5 | 174.1 | 80.2 | 0 | 0 | 0 | 0 | 112.9 | Y144 V145 F170 E172 | Y144-S159 WeakPolarHBondContact CA-OG 3.35Å; V145-S159 PolarHBondContact N-OG 3.14Å; V145-S159 PolarHBondContact O-N 3.25Å; S159-F170 WeakPolarHBondContact OG-CD1 3.49Å; S159-F170 WeakPolarHBondContact OG-CE1 3.21Å; S159-E172 WeakPolarHBondContact CA-OE1 3.41Å; S159-E172 WeakPolarHBondContact CA-OE2 3.41Å; S159-E172 WeakPolarHBondContact CB-OE1 3.41Å |
| 160 | G | 95.9 | Very high | 89.6 | Confident | 34 Ų | 34 | 67.2 Ų | 67.2 | 35% | 0.351 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -55.9 | 155.4 | 158.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y144 E172 | Y144-G160 WeakPolarHBondContact CB-O 3.29Å; G160-E172 PolarHBondContact N-OE1 2.97Å; G160-E172 PolarHBondContact N-OE2 3.4Å; G160-E172 VanDerWaalsContact N-OE2 3.16Å |
| 161 | I | 96.9 | Very high | 90.4 | Very high | 64 Ų | 64 | 71.2 Ų | 71.2 | 33% | 0.328 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -91.1 | 120.7 | 175.5 | -60.4 | 158.9 | 0 | 0 | 0 | 108.6 | N142 Y144 Y195 | N142-I161 HydrophobicContact CB-CG2 4.02Å; Y144-I161 HydrophobicContact CD1-CG1 4.06Å; Y144-I161 HydrophobicContact CG-CG1 4.15Å; I161-Y195 HydrophobicContact CD1-CD1 4.14Å; I161-Y195 HydrophobicContact CD1-CD2 3.51Å; I161-Y195 HydrophobicContact CD1-CE1 4.44Å; I161-Y195 HydrophobicContact CD1-CE2 3.88Å; I161-Y195 HydrophobicContact CD1-CG 3.67Å; I161-Y195 HydrophobicContact CG1-CD2 4.4Å; I161-Y195 HydrophobicContact CG1-CG 4.3Å; I161-Y195 HydrophobicContact CG2-CD1 4.19Å; I161-Y195 HydrophobicContact CG2-CG 4.06Å |
| 162 | H | 96.8 | Very high | 91.7 | Very high | 51 Ų | 51 | 70.1 Ų | 70.1 | 24% | 0.236 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -90.8 | 122.9 | 171.9 | -71.2 | -99.5 | 0 | 0 | 0 | 109.1 | N142 P143 P168 E169 F170 | N142-H162 CarbonylContact C-O 3.41Å; N142-H162 WeakPolarHBondContact CA-O 3.45Å; P143-H162 WeakPolarHBondContact CD-O 3.47Å; P143-H162 HydrophobicContact CG-CB 4.25Å; P143-H162 PolarHBondContact O-N 2.95Å; H162-P168 HydrophobicContact CB-CB 3.7Å; H162-E169 PolarHBondContact CE1-O 2.82Å; H162-E169 PolarHBondContact NE2-O 3.05Å; H162-F170 AromaticContact CD2-CD1 3.46Å; H162-F170 VanDerWaalsContact CD2-CD1 3.46Å; H162-F170 WeakPolarHBondContact CD2-CD1 3.47Å; H162-F170 AromaticContact CD2-CE1 3.54Å; H162-F170 AromaticContact NE2-CD1 3.53Å |
| 163 | K | 95.1 | Very high | 92.8 | Very high | 177 Ų | 177 | 66.7 Ų | 66.7 | 77% | 0.77 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -82.7 | 130.7 | -176.5 | -65.1 | 179.1 | -177.3 | 173.1 | 0 | 110.5 | N142 S165 | N142-K163 WeakPolarHBondContact OD1-CA 3.37Å; K163-S165 PolarHBondContact O-N 3.38Å |
| 164 | K | 94.3 | Very high | 93.9 | Very high | 154 Ų | 154 | 62.1 Ų | 62.1 | 67% | 0.67 | 30% | 0.302 | S | S | * | . | S | Bend | trans | 47.6 | 60.7 | 172.3 | -58 | -179.4 | -179.3 | -177.5 | 0 | 112.3 | Q140 P141 N142 | Q140-K164 HydrophobicContact CB-CB 4.01Å; Q140-K164 PolarHBondContact OE1-O 3.23Å; P141-K164 CarbonylContact O-C 3.53Å; P141-K164 WeakPolarHBondContact O-CA 3.41Å; P141-K164 PolarHBondContact O-N 2.86Å; P141-K164 VanDerWaalsContact O-N 3.11Å; N142-K164 PolarHBondContact OD1-N 3.12Å |
| 165 | S | 95.9 | Very high | 95 | Very high | 30 Ų | 30 | 56 Ų | 56 | 21% | 0.21 | 28% | 0.275 | C | S | . | . | trans | -139.9 | 127.6 | 179.5 | -175.3 | 0 | 0 | 0 | 0 | 111.5 | P141 P143 K163 N167 | P141-S165 WeakPolarHBondContact CG-O 3.21Å; P141-S165 PolarHBondContact O-N 2.97Å; P143-S165 VanDerWaalsContact CD-O 3.31Å; P143-S165 WeakPolarHBondContact CD-O 2.99Å; P143-S165 VanDerWaalsContact CG-O 3.29Å; P143-S165 WeakPolarHBondContact CG-O 3.1Å; K163-S165 PolarHBondContact O-N 3.38Å; S165-N167 VanDerWaalsContact C-N 3.31Å; S165-N167 PolarHBondContact OG-N 3.31Å; S165-N167 VanDerWaalsContact OG-N 3.11Å; S165-N167 PolarHBondContact OG-O 3.45Å | ||
| 166 | L | 96.2 | Very high | 95.7 | Very high | 70 Ų | 70 | 51.8 Ų | 51.8 | 37% | 0.366 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -81.1 | -16.3 | 168.7 | -58.5 | 173.6 | 0 | 0 | 0 | 112 | N131 V132 P141 | N131-L166 PolarHBondContact N-O 2.7Å; V132-L166 WeakPolarHBondContact CB-O 3.09Å; V132-L166 WeakPolarHBondContact CG2-O 3.23Å; V132-L166 PolarHBondContact N-O 2.94Å; V132-L166 WeakPolarHBondContact O-CD2 3.43Å; P141-L166 VanDerWaalsContact CD-CD2 3.42Å; P141-L166 HydrophobicContact CG-CD2 3.89Å |
| 167 | N | 97 | Very high | 95.7 | Very high | 83 Ų | 83 | 56.3 Ų | 56.3 | 44% | 0.444 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -131 | 66.6 | -175.8 | -56 | -61.6 | 0 | 0 | 0 | 109.7 | A129 E130 N131 S165 | A129-N167 CarbonylContact O-C 3.6Å; A129-N167 WeakPolarHBondContact O-CA 3.43Å; E130-N167 WeakPolarHBondContact CA-OD1 3.2Å; N131-N167 PolarHBondContact N-OD1 2.89Å; S165-N167 VanDerWaalsContact C-N 3.31Å; S165-N167 PolarHBondContact OG-N 3.31Å; S165-N167 VanDerWaalsContact OG-N 3.11Å; S165-N167 PolarHBondContact OG-O 3.45Å |
| 168 | P | 97.1 | Very high | 95.5 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.006 | 28% | 0.282 | C | S | . | . | trans | -69 | 134.2 | 179.5 | 31.1 | -37.8 | 0 | 0 | 0 | 111.2 | R128 A129 V132 P143 H162 F170 | R128-P168 CarbonylContact C-O 3.44Å; R128-P168 WeakPolarHBondContact CA-O 3.34Å; R128-P168 WeakPolarHBondContact CB-O 3.16Å; A129-P168 HydrophobicContact CB-CG 3.82Å; A129-P168 PolarHBondContact N-O 2.8Å; A129-P168 WeakPolarHBondContact O-CD 3.18Å; V132-P168 HydrophobicContact CG2-CG 4.41Å; P143-P168 HydrophobicContact CB-CG 4.04Å; P143-P168 HydrophobicContact CG-CB 3.76Å; P143-P168 HydrophobicContact CG-CG 3.53Å; H162-P168 HydrophobicContact CB-CB 3.7Å; P168-F170 HydrophobicContact CB-CE1 4.08Å; P168-F170 HydrophobicContact CB-CE2 3.98Å; P168-F170 HydrophobicContact CB-CZ 3.71Å; P168-F170 HydrophobicContact CG-CE1 4.33Å; P168-F170 HydrophobicContact CG-CE2 3.61Å; P168-F170 HydrophobicContact CG-CZ 3.48Å; P168-F170 VanDerWaalsContact CG-CZ 3.48Å | ||
| 169 | E | 97.2 | Very high | 95.2 | Very high | 127 Ų | 127 | 55 Ų | 55 | 59% | 0.593 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103 | 100.9 | 168.4 | -67.7 | -173.5 | 172.1 | 0 | 0 | 108.8 | I127 R128 H162 | I127-E169 CarbonylContact O-C 3.6Å; R128-E169 HydrophobicContact CB-CG 4.4Å; H162-E169 PolarHBondContact CE1-O 2.82Å; H162-E169 PolarHBondContact NE2-O 3.05Å |
| 170 | F | 96.8 | Very high | 94.8 | Very high | 13 Ų | 13 | 56.4 Ų | 56.4 | 6% | 0.057 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | -55.4 | -177.1 | -58.5 | -77.8 | 0 | 0 | 0 | 110.7 | L126 I127 A129 V145 S159 H162 P168 E172 | L126-F170 HydrophobicContact CD1-CD2 4.05Å; L126-F170 HydrophobicContact CD1-CE2 4.5Å; L126-F170 HydrophobicContact CD2-CB 3.87Å; L126-F170 HydrophobicContact CD2-CD1 4.08Å; L126-F170 HydrophobicContact CD2-CD2 3.77Å; L126-F170 HydrophobicContact CD2-CE2 4.32Å; L126-F170 HydrophobicContact CD2-CG 3.63Å; L126-F170 HydrophobicContact CG-CB 3.8Å; L126-F170 HydrophobicContact CG-CD2 3.69Å; L126-F170 HydrophobicContact CG-CE2 4.49Å; L126-F170 HydrophobicContact CG-CG 3.84Å; I127-F170 PolarHBondContact O-N 3.34Å; A129-F170 HydrophobicContact CB-CE2 4.08Å; V145-F170 HydrophobicContact CG2-CE1 4.18Å; V145-F170 HydrophobicContact CG2-CE2 3.9Å; V145-F170 HydrophobicContact CG2-CZ 3.63Å; S159-F170 WeakPolarHBondContact OG-CD1 3.49Å; S159-F170 WeakPolarHBondContact OG-CE1 3.21Å; H162-F170 AromaticContact CD2-CD1 3.46Å; H162-F170 VanDerWaalsContact CD2-CD1 3.46Å; H162-F170 WeakPolarHBondContact CD2-CD1 3.47Å; H162-F170 AromaticContact CD2-CE1 3.54Å; H162-F170 AromaticContact NE2-CD1 3.53Å; P168-F170 HydrophobicContact CB-CE1 4.08Å; P168-F170 HydrophobicContact CB-CE2 3.98Å; P168-F170 HydrophobicContact CB-CZ 3.71Å; P168-F170 HydrophobicContact CG-CE1 4.33Å; P168-F170 HydrophobicContact CG-CE2 3.61Å; P168-F170 HydrophobicContact CG-CZ 3.48Å; P168-F170 VanDerWaalsContact CG-CZ 3.48Å; F170-E172 VanDerWaalsContact C-N 3.27Å; F170-E172 PolarHBondContact O-N 2.88Å |
| 171 | N | 96.6 | Very high | 94.2 | Very high | 84 Ų | 84 | 61.3 Ų | 61.3 | 45% | 0.449 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 49.8 | 45.7 | -173.8 | -60.5 | -52 | 0 | 0 | 0 | 113.1 | L126 I127 | L126-N171 CarbonylContact O-C 3.48Å; L126-N171 VanDerWaalsContact O-CA 3.27Å; L126-N171 WeakPolarHBondContact O-CA 3.32Å; L126-N171 PolarHBondContact O-N 3.49Å; I127-N171 PolarHBondContact O-N 2.99Å |
| 172 | E | 97.3 | Very high | 93.6 | Very high | 32 Ų | 32 | 59.4 Ų | 59.4 | 15% | 0.15 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 139.6 | -177.8 | -69.9 | 177.6 | -114.8 | 0 | 0 | 110.5 | L17 H125 L126 S159 G160 F170 F174 | L17-E172 VanDerWaalsContact CD1-OE2 3.28Å; L17-E172 WeakPolarHBondContact CD1-OE2 3.14Å; H125-E172 CarbonylContact C-O 3.57Å; L126-E172 PolarHBondContact N-O 3.15Å; L126-E172 PolarHBondContact O-N 3.25Å; S159-E172 WeakPolarHBondContact CA-OE1 3.41Å; S159-E172 WeakPolarHBondContact CA-OE2 3.41Å; S159-E172 WeakPolarHBondContact CB-OE1 3.41Å; G160-E172 PolarHBondContact N-OE1 2.97Å; G160-E172 PolarHBondContact N-OE2 3.4Å; G160-E172 VanDerWaalsContact N-OE2 3.16Å; F170-E172 VanDerWaalsContact C-N 3.27Å; F170-E172 PolarHBondContact O-N 2.88Å; E172-F174 HydrophobicContact CB-CE1 4.13Å; E172-F174 HydrophobicContact CB-CZ 4.05Å |
| 173 | V | 96.7 | Very high | 93 | Very high | 8 Ų | 8 | 57 Ų | 57 | 5% | 0.048 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 125.2 | 177.3 | 176.4 | 0 | 0 | 0 | 0 | 110.8 | V14 L17 M123 M124 H125 W221 | V14-V173 HydrophobicContact CG1-CB 3.66Å; V14-V173 HydrophobicContact CG1-CG2 3.49Å; V14-V173 VanDerWaalsContact CG1-CG2 3.49Å; L17-V173 PolarHBondContact N-O 3.5Å; M123-V173 HydrophobicContact CE-CG1 3.63Å; M124-V173 CarbonylContact O-C 3.4Å; M124-V173 WeakPolarHBondContact O-CA 3.11Å; H125-V173 HydrophobicContact CB-CG2 3.86Å; V173-W221 HydrophobicContact CG1-CH2 4.08Å; V173-W221 HydrophobicContact CG2-CH2 4.37Å |
| 174 | F | 95.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 156 | 175.8 | -55.3 | -42.6 | 0 | 0 | 0 | 110.7 | L17 M123 M124 L126 A147 C157 E172 F176 | L17-F174 HydrophobicContact CB-CD1 4.19Å; L17-F174 HydrophobicContact CB-CE1 4.35Å; L17-F174 HydrophobicContact CD1-CE1 3.95Å; M123-F174 WeakPolarHBondContact CA-O 3.38Å; M124-F174 HydrophobicContact CB-CB 4.46Å; M124-F174 PolarHBondContact N-O 3.35Å; M124-F174 PolarHBondContact O-N 3.34Å; M124-F174 HydrophobicContact SD-CD2 4.18Å; L126-F174 HydrophobicContact CB-CD2 4.44Å; L126-F174 HydrophobicContact CB-CE2 3.93Å; L126-F174 HydrophobicContact CD2-CE2 3.86Å; L126-F174 HydrophobicContact CD2-CZ 4.29Å; A147-F174 HydrophobicContact CB-CD2 4.3Å; C157-F174 HydrophobicContact CB-CB 3.69Å; C157-F174 HydrophobicContact CB-CD1 3.62Å; C157-F174 HydrophobicContact CB-CD2 4Å; C157-F174 HydrophobicContact CB-CE1 4.26Å; C157-F174 HydrophobicContact CB-CG 3.49Å; C157-F174 VanDerWaalsContact CB-CG 3.49Å; E172-F174 HydrophobicContact CB-CE1 4.13Å; E172-F174 HydrophobicContact CB-CZ 4.05Å; F174-F176 HydrophobicContact CB-CE2 4.45Å |
| 175 | S | 94.2 | Very high | 91.1 | Very high | 17 Ų | 17 | 47.1 Ų | 47.1 | 12% | 0.119 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 136.1 | 175.1 | 53 | 0 | 0 | 0 | 0 | 110.8 | C19 L122 | C19-S175 PolarHBondContact SG-O 3.3Å; C19-S175 VanDerWaalsContact SG-O 3.37Å; L122-S175 CarbonylContact O-C 3.55Å; L122-S175 WeakPolarHBondContact O-CA 3.42Å |
| 176 | F | 93.1 | Very high | 90.3 | Very high | 9 Ų | 9 | 47.3 Ų | 47.3 | 4% | 0.039 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 123.7 | 172.8 | -59 | -84.1 | 0 | 0 | 0 | 109.9 | M121 L122 M124 A147 L149 C157 F174 A178 L188 | M121-F176 CarbonylContact C-O 3.41Å; M121-F176 VanDerWaalsContact CA-O 3.23Å; M121-F176 WeakPolarHBondContact CA-O 3.35Å; M121-F176 WeakPolarHBondContact CB-O 3.36Å; L122-F176 HydrophobicContact CB-CB 4.41Å; L122-F176 PolarHBondContact N-O 2.66Å; L122-F176 PolarHBondContact O-N 2.52Å; M124-F176 HydrophobicContact CB-CE2 4.28Å; M124-F176 HydrophobicContact SD-CE2 4.45Å; A147-F176 HydrophobicContact CB-CZ 3.77Å; A147-F176 WeakPolarHBondContact O-CE1 3.34Å; L149-F176 HydrophobicContact CB-CB 4.01Å; L149-F176 HydrophobicContact CB-CD1 3.63Å; L149-F176 HydrophobicContact CB-CD2 4.49Å; L149-F176 HydrophobicContact CB-CE1 4.21Å; L149-F176 HydrophobicContact CB-CG 3.8Å; L149-F176 HydrophobicContact CD2-CB 3.66Å; L149-F176 HydrophobicContact CD2-CG 4.3Å; L149-F176 HydrophobicContact CG-CB 4.42Å; C157-F176 HydrophobicContact CB-CE1 4.4Å; C157-F176 HydrophobicContact CB-CZ 4.24Å; F174-F176 HydrophobicContact CB-CE2 4.45Å; F176-A178 PolarHBondContact O-N 3.32Å; F176-A178 VanDerWaalsContact O-N 3.11Å; F176-L188 HydrophobicContact CD2-CD1 4.44Å; F176-L188 HydrophobicContact CE2-CD1 3.71Å; F176-L188 HydrophobicContact CZ-CD1 4.01Å |
| 177 | D | 91.7 | Very high | 89.7 | Confident | 128 Ų | 128 | 44.1 Ų | 44.1 | 68% | 0.684 | 24% | 0.242 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 106.1 | 175 | -65.1 | -32.8 | 0 | 0 | 0 | 109.8 | ||
| 178 | A | 88.5 | Confident | 89.3 | Confident | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.008 | 22% | 0.221 | C | C | . | . | trans | -157.5 | 118.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y115 R120 L149 F176 L183 | Y115-A178 WeakPolarHBondContact CE2-O 3.24Å; Y115-A178 PolarHBondContact OH-O 2.74Å; Y115-A178 VanDerWaalsContact OH-O 3.13Å; R120-A178 CarbonylContact O-C 3.22Å; R120-A178 PolarHBondContact O-N 3.2Å; L149-A178 HydrophobicContact CD2-CB 3.48Å; L149-A178 VanDerWaalsContact CD2-CB 3.48Å; F176-A178 PolarHBondContact O-N 3.32Å; F176-A178 VanDerWaalsContact O-N 3.11Å; A178-L183 HydrophobicContact CB-CD2 3.8Å | ||
| 179 | P | 89.4 | Confident | 88.9 | Confident | 65 Ų | 65 | 40.9 Ų | 40.9 | 42% | 0.422 | 22% | 0.224 | S | C | . | . | trans | -57 | 142.9 | 172.1 | -23.7 | 33.6 | 0 | 0 | 0 | 111.5 | Y115 D181 S182 | Y115-P179 WeakPolarHBondContact OH-CA 3.25Å; P179-D181 VanDerWaalsContact C-N 3.26Å; P179-D181 PolarHBondContact O-N 2.95Å; P179-S182 WeakPolarHBondContact O-CA 3.32Å; P179-S182 WeakPolarHBondContact O-CB 3.42Å; P179-S182 PolarHBondContact O-N 2.85Å; P179-S182 PolarHBondContact O-OG 3.02Å | ||
| 180 | V | 88.2 | Confident | 88.8 | Confident | 36 Ų | 36 | 34.9 Ų | 34.9 | 22% | 0.218 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -51.9 | -43.7 | -176.5 | 65.2 | 0 | 0 | 0 | 0 | 112.3 | Y115 Y117 S182 L183 L213 | Y115-V180 HydrophobicContact CD1-CB 4.32Å; Y115-V180 HydrophobicContact CD1-CG2 4.47Å; Y115-V180 HydrophobicContact CE1-CB 3.75Å; Y115-V180 HydrophobicContact CE1-CG2 4.38Å; Y115-V180 HydrophobicContact CE2-CB 4.23Å; Y115-V180 PolarHBondContact OH-N 2.73Å; Y117-V180 HydrophobicContact CE1-CG2 4.17Å; V180-S182 PolarHBondContact O-N 3.22Å; V180-S182 VanDerWaalsContact O-N 3.15Å; V180-L183 VanDerWaalsContact O-CB 3.32Å; V180-L183 WeakPolarHBondContact O-CB 3.31Å; V180-L183 PolarHBondContact O-N 3.41Å; V180-L213 HydrophobicContact CG2-CD1 4.44Å; V180-L213 HydrophobicContact CG2-CD2 4.14Å |
| 181 | D | 84.1 | Confident | 88.5 | Confident | 138 Ų | 138 | 34.5 Ų | 34.5 | 74% | 0.738 | 20% | 0.195 | S | C | * | . | G | 310 helix | trans | -61.6 | -27.9 | -179.4 | -57.2 | -33.3 | 0 | 0 | 0 | 112.6 | P179 T184 | P179-D181 VanDerWaalsContact C-N 3.26Å; P179-D181 PolarHBondContact O-N 2.95Å; D181-T184 PolarHBondContact O-OG1 2.89Å; D181-T184 VanDerWaalsContact O-OG1 3.1Å |
| 182 | S | 83.7 | Confident | 88.4 | Confident | 24 Ų | 24 | 30.5 Ų | 30.5 | 17% | 0.168 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -76 | -23.7 | 178.3 | 78.8 | 0 | 0 | 0 | 0 | 113 | P179 V180 T184 S185 R186 | P179-S182 WeakPolarHBondContact O-CA 3.32Å; P179-S182 WeakPolarHBondContact O-CB 3.42Å; P179-S182 PolarHBondContact O-N 2.85Å; P179-S182 PolarHBondContact O-OG 3.02Å; V180-S182 PolarHBondContact O-N 3.22Å; V180-S182 VanDerWaalsContact O-N 3.15Å; S182-T184 VanDerWaalsContact C-N 3.27Å; S182-T184 PolarHBondContact O-N 2.83Å; S182-S185 CarbonylContact O-C 3.59Å; S182-S185 WeakPolarHBondContact O-CA 3.09Å; S182-S185 PolarHBondContact O-N 3.19Å; S182-S185 PolarHBondContact O-OG 3.16Å; S182-R186 WeakPolarHBondContact O-CG 3.4Å |
| 183 | L | 85.2 | Confident | 88.3 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -64.2 | -27.5 | -172.8 | -64.4 | -178.3 | 0 | 0 | 0 | 113.7 | Y115 L122 L149 A178 V180 S185 R186 L212 L213 L218 | Y115-L183 HydrophobicContact CD2-CD1 3.58Å; Y115-L183 HydrophobicContact CE2-CD1 3.83Å; Y115-L183 HydrophobicContact CG-CD1 4.48Å; L122-L183 HydrophobicContact CB-CD2 4.27Å; L122-L183 HydrophobicContact CD1-CD1 4.33Å; L122-L183 HydrophobicContact CD2-CD2 4.38Å; L149-L183 HydrophobicContact CD2-CD2 4.3Å; A178-L183 HydrophobicContact CB-CD2 3.8Å; V180-L183 VanDerWaalsContact O-CB 3.32Å; V180-L183 WeakPolarHBondContact O-CB 3.31Å; V180-L183 PolarHBondContact O-N 3.41Å; L183-S185 PolarHBondContact O-N 2.82Å; L183-S185 VanDerWaalsContact O-N 3.13Å; L183-R186 HydrophobicContact CD2-CB 4.47Å; L183-R186 HydrophobicContact CD2-CG 4.19Å; L183-R186 PolarHBondContact O-N 2.88Å; L183-L212 HydrophobicContact CD2-CD1 4.41Å; L183-L213 HydrophobicContact CB-CD1 4.22Å; L183-L213 HydrophobicContact CB-CD2 4.36Å; L183-L213 HydrophobicContact CB-CG 4.02Å; L183-L213 HydrophobicContact CD1-CD2 4.17Å; L183-L218 HydrophobicContact CD1-CD1 3.87Å |
| 184 | T | 76.8 | Confident | 88.2 | Confident | 79 Ų | 79 | 30.5 Ų | 30.5 | 49% | 0.485 | 17% | 0.172 | S | C | . | . | G | 310 helix | trans | -54.2 | -30.1 | 170.2 | 55.4 | 0 | 0 | 0 | 0 | 112.1 | D181 S182 L213 | D181-T184 PolarHBondContact O-OG1 2.89Å; D181-T184 VanDerWaalsContact O-OG1 3.1Å; S182-T184 VanDerWaalsContact C-N 3.27Å; S182-T184 PolarHBondContact O-N 2.83Å; T184-L213 HydrophobicContact CG2-CD1 3.63Å |
| 185 | S | 71.4 | Confident | 88.1 | Confident | 45 Ų | 45 | 33.9 Ų | 33.9 | 32% | 0.315 | 19% | 0.185 | S | C | . | . | G | 310 helix | trans | -108.4 | 26.1 | 178.1 | 79.4 | 0 | 0 | 0 | 0 | 112 | S182 L183 R259 | S182-S185 CarbonylContact O-C 3.59Å; S182-S185 WeakPolarHBondContact O-CA 3.09Å; S182-S185 PolarHBondContact O-N 3.19Å; S182-S185 PolarHBondContact O-OG 3.16Å; L183-S185 PolarHBondContact O-N 2.82Å; L183-S185 VanDerWaalsContact O-N 3.13Å; S185-R259 PolarHBondContact O-NH1 2.9Å; S185-R259 PolarHBondContact O-NH2 3.26Å |
| 186 | R | 79.4 | Confident | 87.8 | Confident | 34 Ų | 34 | 34.6 Ų | 34.6 | 13% | 0.128 | 19% | 0.187 | C | C | . | . | trans | -115.9 | 157.7 | 172.3 | -59.6 | -64.9 | -175.6 | -175 | 5.2 | 111.7 | L149 L150 P151 E152 S182 L183 L212 | L149-R186 HydrophobicContact CD1-CB 3.67Å; L149-R186 HydrophobicContact CD1-CG 4.27Å; L149-R186 HydrophobicContact CD2-CB 4.48Å; L149-R186 HydrophobicContact CD2-CG 4.19Å; L149-R186 HydrophobicContact CG-CB 4Å; L149-R186 HydrophobicContact CG-CG 4.11Å; L150-R186 VanDerWaalsContact O-CA 3.26Å; L150-R186 WeakPolarHBondContact O-CA 3.4Å; L150-R186 WeakPolarHBondContact O-CD 3.28Å; P151-R186 VanDerWaalsContact CD-NH1 3.29Å; E152-R186 VanDerWaalsContact CD-CZ 3.42Å; E152-R186 VanDerWaalsContact CD-NH2 3.3Å; E152-R186 IonicContact OE1-CZ 3.51Å; E152-R186 IonicContact OE1-NH1 3.4Å; E152-R186 PolarHBondContact OE1-NH1 2.8Å; E152-R186 IonicContact OE1-NH2 3.51Å; E152-R186 PolarHBondContact OE1-NH2 2.89Å; E152-R186 IonicContact OE2-CZ 3.03Å; E152-R186 IonicContact OE2-NE 3.67Å; E152-R186 IonicContact OE2-NH1 2.66Å; E152-R186 PolarHBondContact OE2-NH1 2.96Å; E152-R186 IonicContact OE2-NH2 3.21Å; E152-R186 PolarHBondContact OE2-NH2 3.38Å; E152-R186 VanDerWaalsContact OE2-NH2 3.07Å; S182-R186 WeakPolarHBondContact O-CG 3.4Å; L183-R186 HydrophobicContact CD2-CB 4.47Å; L183-R186 HydrophobicContact CD2-CG 4.19Å; L183-R186 PolarHBondContact O-N 2.88Å; R186-L212 HydrophobicContact CB-CD1 4.24Å | ||
| 187 | M | 83.1 | Confident | 87.5 | Confident | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 133 | 168.3 | -59.4 | -176.9 | -71.7 | 0 | 0 | 108.8 | L150 I208 M209 R210 Y261 W381 | L150-M187 HydrophobicContact CB-CB 4.25Å; L150-M187 WeakPolarHBondContact CB-O 3.48Å; L150-M187 HydrophobicContact CD1-CB 4.28Å; L150-M187 HydrophobicContact CD1-CE 4.46Å; L150-M187 PolarHBondContact N-O 2.88Å; L150-M187 PolarHBondContact O-N 2.84Å; L150-M187 VanDerWaalsContact O-N 3.16Å; M187-I208 HydrophobicContact CB-CG2 4.21Å; M187-I208 HydrophobicContact SD-CG2 4.22Å; M187-M209 CarbonylContact C-O 3.28Å; M187-M209 WeakPolarHBondContact CA-O 3.34Å; M187-R210 HydrophobicContact CG-CB 4.43Å; M187-R210 HydrophobicContact CG-CG 4.15Å; M187-R210 HydrophobicContact SD-CG 3.84Å; M187-Y261 HydrophobicContact CE-CD1 3.47Å; M187-Y261 VanDerWaalsContact CE-CD1 3.47Å; M187-Y261 HydrophobicContact CE-CD2 3.62Å; M187-Y261 HydrophobicContact CE-CE1 4.14Å; M187-Y261 HydrophobicContact CE-CE2 4.27Å; M187-Y261 HydrophobicContact CE-CG 3.22Å; M187-W381 HydrophobicContact CE-CH2 3.75Å; M187-W381 HydrophobicContact CE-CZ2 3.92Å; M187-W381 HydrophobicContact CE-CZ3 4.3Å; M187-W381 HydrophobicContact CG-CZ2 4.12Å; M187-W381 HydrophobicContact SD-CD2 4.1Å; M187-W381 HydrophobicContact SD-CE3 4.37Å; M187-W381 HydrophobicContact SD-CH2 3.9Å; M187-W381 HydrophobicContact SD-CZ2 3.58Å; M187-W381 VanDerWaalsContact SD-CZ2 3.58Å; M187-W381 HydrophobicContact SD-CZ3 4.29Å |
| 188 | L | 90.1 | Very high | 87 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 117.4 | 174.2 | 178.7 | 68.1 | 0 | 0 | 0 | 108.6 | F111 L113 M124 Y148 F176 I208 M209 L212 | F111-L188 HydrophobicContact CD2-CD2 4.21Å; F111-L188 HydrophobicContact CE2-CD2 3.76Å; F111-L188 HydrophobicContact CZ-CD2 4.27Å; L113-L188 HydrophobicContact CD1-CD2 4.24Å; L113-L188 HydrophobicContact CD2-CD2 3.62Å; L113-L188 HydrophobicContact CG-CD2 4.5Å; M124-L188 HydrophobicContact CG-CD2 4.32Å; M124-L188 HydrophobicContact SD-CD1 4.06Å; M124-L188 HydrophobicContact SD-CD2 3.9Å; M124-L188 HydrophobicContact SD-CG 4.43Å; Y148-L188 WeakPolarHBondContact O-CA 3.2Å; F176-L188 HydrophobicContact CD2-CD1 4.44Å; F176-L188 HydrophobicContact CE2-CD1 3.71Å; F176-L188 HydrophobicContact CZ-CD1 4.01Å; L188-I208 CarbonylContact O-C 3.59Å; L188-I208 WeakPolarHBondContact O-CA 3.37Å; L188-M209 HydrophobicContact CB-CB 4.31Å; L188-M209 PolarHBondContact N-O 2.9Å; L188-M209 PolarHBondContact O-N 2.86Å; L188-L212 HydrophobicContact CB-CD2 4.14Å |
| 189 | Q | 88.6 | Confident | 86.8 | Confident | 15 Ų | 15 | 53.5 Ų | 53.5 | 7% | 0.07 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 124.9 | 175.6 | 174.3 | 176.7 | 39.9 | 0 | 0 | 110 | A147 Y148 L150 V207 I208 | A147-Q189 CarbonylContact C-O 3.51Å; A147-Q189 VanDerWaalsContact CA-O 3.26Å; A147-Q189 WeakPolarHBondContact CA-O 3.31Å; Y148-Q189 PolarHBondContact N-O 3.19Å; Y148-Q189 PolarHBondContact O-N 2.76Å; L150-Q189 HydrophobicContact CD1-CB 3.53Å; L150-Q189 HydrophobicContact CD1-CG 4.42Å; L150-Q189 HydrophobicContact CG-CB 4.08Å; Q189-V207 CarbonylContact C-O 3.46Å; Q189-V207 VanDerWaalsContact CA-O 3.31Å; Q189-V207 WeakPolarHBondContact CA-O 3.35Å; Q189-I208 HydrophobicContact CB-CG1 4.26Å; Q189-I208 HydrophobicContact CG-CG1 4.06Å |
| 190 | C | 93.3 | Very high | 86.4 | Confident | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.007 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 116 | 170.4 | -60.1 | 0 | 0 | 0 | 0 | 109 | I109 M124 V145 K146 N206 V207 | I109-C190 HydrophobicContact CD1-CB 4.05Å; M124-C190 WeakPolarHBondContact CE-SG 3.49Å; V145-C190 HydrophobicContact CG1-CB 3.87Å; K146-C190 CarbonylContact O-C 3.58Å; K146-C190 WeakPolarHBondContact O-CA 3.12Å; C190-N206 CarbonylContact O-C 3.56Å; C190-N206 WeakPolarHBondContact O-CA 3.17Å; C190-V207 HydrophobicContact CB-CB 4.3Å; C190-V207 PolarHBondContact N-O 3.28Å; C190-V207 PolarHBondContact O-N 3.2Å |
| 191 | T | 91.8 | Very high | 86.4 | Confident | 6 Ų | 6 | 61 Ų | 61 | 4% | 0.037 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 122.4 | 173.4 | -55.8 | 0 | 0 | 0 | 0 | 109.2 | V145 K146 Y193 I203 N206 | V145-T191 CarbonylContact C-O 3.56Å; V145-T191 WeakPolarHBondContact CA-O 3.27Å; K146-T191 PolarHBondContact N-O 3.44Å; K146-T191 PolarHBondContact O-N 3.35Å; T191-Y193 HydrophobicContact CG2-CD2 3.83Å; T191-Y193 HydrophobicContact CG2-CE1 4.42Å; T191-Y193 HydrophobicContact CG2-CE2 3.26Å; T191-Y193 WeakPolarHBondContact O-CD2 3.25Å; T191-I203 HydrophobicContact CG2-CG1 4.36Å; T191-I203 HydrophobicContact CG2-CG2 3.84Å; T191-N206 VanDerWaalsContact CB-OD1 3.26Å; T191-N206 WeakPolarHBondContact CB-OD1 3.4Å; T191-N206 WeakPolarHBondContact CG2-OD1 3.45Å; T191-N206 PolarHBondContact OG1-OD1 2.9Å |
| 192 | V | 95.2 | Very high | 86.5 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 125.1 | 176.5 | -169.4 | 0 | 0 | 0 | 0 | 108.6 | I109 V132 P143 V145 I204 G205 I228 | I109-V192 HydrophobicContact CD1-CG2 4.32Å; V132-V192 HydrophobicContact CG1-CG1 4.28Å; P143-V192 HydrophobicContact CB-CG1 4.43Å; V145-V192 HydrophobicContact CG2-CG2 4.31Å; V192-I204 HydrophobicContact CB-CB 4.31Å; V192-I204 HydrophobicContact CG1-CB 4.28Å; V192-I204 HydrophobicContact CG1-CD1 4.14Å; V192-I204 WeakPolarHBondContact O-CB 3.34Å; V192-I204 PolarHBondContact O-N 3.41Å; V192-G205 PolarHBondContact N-O 2.9Å; V192-G205 PolarHBondContact O-N 3.07Å; V192-I228 HydrophobicContact CB-CG2 4.45Å; V192-I228 HydrophobicContact CG2-CD1 3.89Å; V192-I228 HydrophobicContact CG2-CG1 4.07Å; V192-I228 HydrophobicContact CG2-CG2 4.16Å |
| 193 | Y | 94 | Very high | 86.8 | Confident | 38 Ų | 38 | 58 Ų | 58 | 15% | 0.149 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 150.1 | -179.7 | -73.1 | -94.3 | 0 | 0 | 0 | 111.1 | P143 Y144 K146 T191 H201 D202 I203 | P143-Y193 VanDerWaalsContact CA-O 3.23Å; P143-Y193 WeakPolarHBondContact CA-O 3.16Å; Y144-Y193 HydrophobicContact CD2-CD2 4.49Å; Y144-Y193 HydrophobicContact CE1-CG 4.04Å; Y144-Y193 AromaticContact CE2-CD2 3.77Å; Y144-Y193 HydrophobicContact CE2-CD2 3.77Å; Y144-Y193 AromaticContact CE2-CG 3.95Å; Y144-Y193 HydrophobicContact CE2-CG 3.95Å; Y144-Y193 AromaticContact CZ-CD2 3.84Å; Y144-Y193 AromaticContact CZ-CG 3.51Å; Y144-Y193 PolarHBondContact N-O 2.66Å; Y144-Y193 PolarHBondContact O-N 3.4Å; Y144-Y193 WeakPolarHBondContact OH-CB 3.37Å; Y144-Y193 WeakPolarHBondContact OH-CD1 3.21Å; Y144-Y193 VanDerWaalsContact OH-CG 3.27Å; K146-Y193 HydrophobicContact CB-CE2 4.01Å; K146-Y193 HydrophobicContact CD-CE2 3.8Å; K146-Y193 HydrophobicContact CG-CD2 4.12Å; K146-Y193 HydrophobicContact CG-CE2 3.76Å; T191-Y193 HydrophobicContact CG2-CD2 3.83Å; T191-Y193 HydrophobicContact CG2-CE1 4.42Å; T191-Y193 HydrophobicContact CG2-CE2 3.26Å; T191-Y193 WeakPolarHBondContact O-CD2 3.25Å; Y193-H201 HydrophobicContact CD1-CB 4.22Å; Y193-D202 CarbonylContact C-O 3.6Å; Y193-D202 VanDerWaalsContact CA-O 3.24Å; Y193-D202 WeakPolarHBondContact CA-O 3.5Å; Y193-I203 HydrophobicContact CD1-CG1 3.84Å; Y193-I203 HydrophobicContact CE1-CD1 4.14Å; Y193-I203 HydrophobicContact CE1-CG1 3.41Å; Y193-I203 VanDerWaalsContact CE1-CG1 3.41Å |
| 194 | D | 94.3 | Very high | 87.1 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 110.2 | 165.6 | -167.6 | -16.1 | 0 | 0 | 0 | 109.6 | R139 P141 N142 E196 H201 D202 I204 | R139-D194 IonicContact CZ-OD1 3.33Å; R139-D194 IonicContact CZ-OD2 3.11Å; R139-D194 VanDerWaalsContact NH1-CG 3.28Å; R139-D194 IonicContact NH1-OD1 3.57Å; R139-D194 PolarHBondContact NH1-OD1 2.65Å; R139-D194 IonicContact NH1-OD2 3.89Å; R139-D194 PolarHBondContact NH1-OD2 2.84Å; R139-D194 IonicContact NH2-OD1 3.42Å; R139-D194 PolarHBondContact NH2-OD1 2.82Å; R139-D194 IonicContact NH2-OD2 3.16Å; R139-D194 PolarHBondContact NH2-OD2 3.42Å; P141-D194 WeakPolarHBondContact CA-OD2 3.25Å; P141-D194 HydrophobicContact CB-CB 4.45Å; P141-D194 WeakPolarHBondContact CB-OD2 3.37Å; N142-D194 PolarHBondContact N-OD1 2.78Å; D194-E196 PolarHBondContact O-N 3.46Å; D194-H201 WeakPolarHBondContact O-CA 3.17Å; D194-H201 WeakPolarHBondContact O-CB 3.11Å; D194-D202 HydrophobicContact CB-CB 4.3Å; D194-D202 PolarHBondContact N-O 3.39Å; D194-D202 PolarHBondContact O-N 3.37Å; D194-I204 HydrophobicContact CB-CD1 3.94Å; D194-I204 HydrophobicContact CB-CG1 3.97Å |
| 195 | Y | 93.6 | Very high | 87.7 | Confident | 71 Ų | 71 | 54.2 Ų | 54.2 | 28% | 0.278 | 24% | 0.239 | S | C | . | . | trans | -68.3 | 124.7 | 179.7 | 175.7 | -96.3 | 0 | 0 | 0 | 111.9 | N142 I161 R197 H201 | N142-Y195 PolarHBondContact ND2-O 2.61Å; N142-Y195 WeakPolarHBondContact O-CB 3.27Å; N142-Y195 PolarHBondContact O-N 3.2Å; I161-Y195 HydrophobicContact CD1-CD1 4.14Å; I161-Y195 HydrophobicContact CD1-CD2 3.51Å; I161-Y195 HydrophobicContact CD1-CE1 4.44Å; I161-Y195 HydrophobicContact CD1-CE2 3.88Å; I161-Y195 HydrophobicContact CD1-CG 3.67Å; I161-Y195 HydrophobicContact CG1-CD2 4.4Å; I161-Y195 HydrophobicContact CG1-CG 4.3Å; I161-Y195 HydrophobicContact CG2-CD1 4.19Å; I161-Y195 HydrophobicContact CG2-CG 4.06Å; Y195-R197 HydrophobicContact CE1-CB 4.32Å; Y195-H201 AromaticContact CD2-CD2 3.88Å; Y195-H201 AromaticContact CD2-CE1 3.34Å; Y195-H201 WeakPolarHBondContact CD2-CE1 3.3Å; Y195-H201 AromaticContact CD2-ND1 3.92Å; Y195-H201 AromaticContact CD2-NE2 3.27Å; Y195-H201 VanDerWaalsContact CD2-NE2 3.27Å; Y195-H201 WeakPolarHBondContact CD2-NE2 3.42Å; Y195-H201 AromaticContact CE2-CE1 3.64Å; Y195-H201 AromaticContact CE2-NE2 3.33Å; Y195-H201 VanDerWaalsContact CE2-NE2 3.33Å; Y195-H201 WeakPolarHBondContact CE2-NE2 3.36Å | ||
| 196 | E | 88.5 | Confident | 88.5 | Confident | 32 Ų | 32 | 52.8 Ų | 52.8 | 15% | 0.15 | 23% | 0.228 | C | C | . | . | trans | -117.8 | 133.3 | 168.9 | -67.6 | -153.2 | 178.8 | 0 | 0 | 110.7 | R139 D194 K199 H201 | R139-E196 IonicContact CZ-OE1 3.1Å; R139-E196 IonicContact NE-OE1 3.27Å; R139-E196 IonicContact NH2-OE1 2.9Å; R139-E196 PolarHBondContact NH2-OE1 2.76Å; D194-E196 PolarHBondContact O-N 3.46Å; E196-K199 HydrophobicContact CB-CB 4.35Å; E196-K199 WeakPolarHBondContact OE2-CB 3.42Å; E196-K199 WeakPolarHBondContact OE2-CD 2.97Å; E196-H201 PolarHBondContact N-CD2 3.12Å; E196-H201 PolarHBondContact O-CD2 2.61Å; E196-H201 PolarHBondContact O-NE2 3.38Å | ||
| 197 | R | 86.5 | Confident | 88.9 | Confident | 221 Ų | 221 | 51.3 Ų | 51.3 | 83% | 0.834 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -70.1 | -33.4 | -177.5 | 179.7 | 175.5 | 175.8 | 145.4 | 1.2 | 113.3 | Y195 | Y195-R197 HydrophobicContact CE1-CB 4.32Š|
| 198 | I | 82.3 | Confident | 89 | Confident | 164 Ų | 164 | 52 Ų | 52 | 84% | 0.841 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -109 | -39.6 | -168.6 | -58.4 | 175.2 | 0 | 0 | 0 | 111.1 | ||
| 199 | K | 82.3 | Confident | 88.8 | Confident | 150 Ų | 150 | 52.1 Ų | 52.1 | 65% | 0.652 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -97.8 | 169.7 | -179.8 | -53.8 | -175.3 | -170.7 | 162.6 | 0 | 110.7 | E196 H201 | E196-K199 HydrophobicContact CB-CB 4.35Å; E196-K199 WeakPolarHBondContact OE2-CB 3.42Å; E196-K199 WeakPolarHBondContact OE2-CD 2.97Å; K199-H201 PolarHBondContact O-N 2.73Å |
| 200 | R | 81.2 | Confident | 88.3 | Confident | 208 Ų | 208 | 51.7 Ų | 51.7 | 79% | 0.785 | 22% | 0.224 | S | C | * | . | P | Polyproline II helix | trans | -55.4 | 137.8 | 166.2 | -175.7 | 179.2 | 179.4 | 159.9 | 6.2 | 109.3 | ||
| 201 | H | 88.1 | Confident | 87.4 | Confident | 50 Ų | 50 | 52.9 Ų | 52.9 | 23% | 0.231 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -66.8 | 136.6 | 176.5 | -50.3 | 165.3 | 0 | 0 | 0 | 109.8 | Y144 Y193 D194 Y195 E196 K199 | Y144-H201 HydrophobicContact CE1-CB 4.41Å; Y144-H201 AromaticContact CE1-ND1 3.45Å; Y144-H201 WeakPolarHBondContact CE1-ND1 3.28Å; Y144-H201 AromaticContact CZ-ND1 3.51Å; Y144-H201 PolarHBondContact OH-ND1 3.26Å; Y193-H201 HydrophobicContact CD1-CB 4.22Å; D194-H201 WeakPolarHBondContact O-CA 3.17Å; D194-H201 WeakPolarHBondContact O-CB 3.11Å; Y195-H201 AromaticContact CD2-CD2 3.88Å; Y195-H201 AromaticContact CD2-CE1 3.34Å; Y195-H201 WeakPolarHBondContact CD2-CE1 3.3Å; Y195-H201 AromaticContact CD2-ND1 3.92Å; Y195-H201 AromaticContact CD2-NE2 3.27Å; Y195-H201 VanDerWaalsContact CD2-NE2 3.27Å; Y195-H201 WeakPolarHBondContact CD2-NE2 3.42Å; Y195-H201 AromaticContact CE2-CE1 3.64Å; Y195-H201 AromaticContact CE2-NE2 3.33Å; Y195-H201 VanDerWaalsContact CE2-NE2 3.33Å; Y195-H201 WeakPolarHBondContact CE2-NE2 3.36Å; E196-H201 PolarHBondContact N-CD2 3.12Å; E196-H201 PolarHBondContact O-CD2 2.61Å; E196-H201 PolarHBondContact O-NE2 3.38Å; K199-H201 PolarHBondContact O-N 2.73Å |
| 202 | D | 87.3 | Confident | 86.9 | Confident | 57 Ų | 57 | 52.6 Ų | 52.6 | 31% | 0.305 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 143 | 177.6 | -70.7 | -33.1 | 0 | 0 | 0 | 110.2 | Y193 D194 | Y193-D202 CarbonylContact C-O 3.6Å; Y193-D202 VanDerWaalsContact CA-O 3.24Å; Y193-D202 WeakPolarHBondContact CA-O 3.5Å; D194-D202 HydrophobicContact CB-CB 4.3Å; D194-D202 PolarHBondContact N-O 3.39Å; D194-D202 PolarHBondContact O-N 3.37Å |
| 203 | I | 89.5 | Confident | 85.9 | Confident | 43 Ų | 43 | 55.3 Ų | 55.3 | 22% | 0.221 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 122.3 | 167.8 | -63.9 | 169.1 | 0 | 0 | 0 | 106.6 | N135 T191 Y193 N231 | N135-I203 PolarHBondContact ND2-O 2.84Å; T191-I203 HydrophobicContact CG2-CG1 4.36Å; T191-I203 HydrophobicContact CG2-CG2 3.84Å; Y193-I203 HydrophobicContact CD1-CG1 3.84Å; Y193-I203 HydrophobicContact CE1-CD1 4.14Å; Y193-I203 HydrophobicContact CE1-CG1 3.41Å; Y193-I203 VanDerWaalsContact CE1-CG1 3.41Å; I203-N231 HydrophobicContact CG2-CB 3.76Å |
| 204 | I | 91.7 | Very high | 84.8 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | -44 | 172.7 | -59.6 | -177.4 | 0 | 0 | 0 | 109.3 | R106 V132 Q133 P141 V192 D194 | R106-I204 HydrophobicContact CB-CG2 3.89Å; V132-I204 HydrophobicContact CG1-CD1 3.4Å; V132-I204 HydrophobicContact CG1-CG2 3.98Å; Q133-I204 WeakPolarHBondContact O-CG2 3.49Å; P141-I204 HydrophobicContact CB-CD1 4.05Å; V192-I204 HydrophobicContact CB-CB 4.31Å; V192-I204 HydrophobicContact CG1-CB 4.28Å; V192-I204 HydrophobicContact CG1-CD1 4.14Å; V192-I204 WeakPolarHBondContact O-CB 3.34Å; V192-I204 PolarHBondContact O-N 3.41Å; D194-I204 HydrophobicContact CB-CD1 3.94Å; D194-I204 HydrophobicContact CB-CG1 3.97Å |
| 205 | G | 90 | Very high | 83.5 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 171.1 | -174.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | V192 V229 | V192-G205 PolarHBondContact N-O 2.9Å; V192-G205 PolarHBondContact O-N 3.07Å; G205-V229 CarbonylContact C-O 3.54Å; G205-V229 WeakPolarHBondContact CA-O 3.3Å |
| 206 | N | 87.7 | Confident | 82.6 | Confident | 15 Ų | 15 | 59.3 Ų | 59.3 | 8% | 0.08 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 156.1 | -179.2 | -61.2 | -64 | 0 | 0 | 0 | 111.8 | C190 T191 V229 N231 | C190-N206 CarbonylContact O-C 3.56Å; C190-N206 WeakPolarHBondContact O-CA 3.17Å; T191-N206 VanDerWaalsContact CB-OD1 3.26Å; T191-N206 WeakPolarHBondContact CB-OD1 3.4Å; T191-N206 WeakPolarHBondContact CG2-OD1 3.45Å; T191-N206 PolarHBondContact OG1-OD1 2.9Å; N206-V229 PolarHBondContact N-O 3.47Å; N206-V229 PolarHBondContact O-N 3.49Å; N206-N231 VanDerWaalsContact ND2-CB 3.3Å; N206-N231 WeakPolarHBondContact ND2-CB 3.19Å; N206-N231 PolarHBondContact ND2-ND2 2.79Å |
| 207 | V | 88.6 | Confident | 82.2 | Confident | 2 Ų | 2 | 62.5 Ų | 62.5 | 1% | 0.012 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 130.1 | 164.1 | 170.9 | 0 | 0 | 0 | 0 | 107.5 | I109 F111 Q189 C190 M226 Q227 I228 | I109-V207 HydrophobicContact CG2-CB 3.95Å; I109-V207 HydrophobicContact CG2-CG1 4.05Å; I109-V207 HydrophobicContact CG2-CG2 3.4Å; I109-V207 VanDerWaalsContact CG2-CG2 3.4Å; F111-V207 HydrophobicContact CE1-CG1 4.24Å; Q189-V207 CarbonylContact C-O 3.46Å; Q189-V207 VanDerWaalsContact CA-O 3.31Å; Q189-V207 WeakPolarHBondContact CA-O 3.35Å; C190-V207 HydrophobicContact CB-CB 4.3Å; C190-V207 PolarHBondContact N-O 3.28Å; C190-V207 PolarHBondContact O-N 3.2Å; V207-M226 HydrophobicContact CB-CB 4.46Å; V207-M226 HydrophobicContact CG1-CB 3.4Å; V207-M226 VanDerWaalsContact CG1-CB 3.4Å; V207-M226 HydrophobicContact CG1-CE 3.47Å; V207-M226 VanDerWaalsContact CG1-CE 3.47Å; V207-M226 HydrophobicContact CG1-CG 3.89Å; V207-M226 HydrophobicContact CG1-SD 3.31Å; V207-M226 WeakPolarHBondContact CG1-SD 3.3Å; V207-M226 HydrophobicContact CG2-CB 4.24Å; V207-Q227 WeakPolarHBondContact CG2-O 3.47Å; V207-I228 HydrophobicContact CG2-CB 4.48Å; V207-I228 HydrophobicContact CG2-CG1 4.13Å |
| 208 | I | 85 | Confident | 82.2 | Confident | 18 Ų | 18 | 52 Ų | 52 | 9% | 0.092 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 110.9 | 177.3 | -59.2 | 177.9 | 0 | 0 | 0 | 108.6 | M187 L188 Q189 R210 M226 | M187-I208 HydrophobicContact CB-CG2 4.21Å; M187-I208 HydrophobicContact SD-CG2 4.22Å; L188-I208 CarbonylContact O-C 3.59Å; L188-I208 WeakPolarHBondContact O-CA 3.37Å; Q189-I208 HydrophobicContact CB-CG1 4.26Å; Q189-I208 HydrophobicContact CG-CG1 4.06Å; I208-R210 HydrophobicContact CG2-CG 4.25Å; I208-M226 WeakPolarHBondContact O-CE 3.46Å |
| 209 | M | 85.1 | Confident | 82.4 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 122.8 | 173.2 | -168.1 | -179.4 | 179.1 | 0 | 0 | 110.3 | F111 L113 M187 L188 L212 K215 F224 M226 | F111-M209 HydrophobicContact CE2-SD 3.65Å; F111-M209 HydrophobicContact CZ-CB 4.2Å; F111-M209 HydrophobicContact CZ-SD 3.72Å; L113-M209 HydrophobicContact CD1-CE 4.06Å; L113-M209 HydrophobicContact CD1-SD 3.56Å; L113-M209 VanDerWaalsContact CD1-SD 3.56Å; M187-M209 CarbonylContact C-O 3.28Å; M187-M209 WeakPolarHBondContact CA-O 3.34Å; L188-M209 HydrophobicContact CB-CB 4.31Å; L188-M209 PolarHBondContact N-O 2.9Å; L188-M209 PolarHBondContact O-N 2.86Å; M209-L212 HydrophobicContact CB-CD2 4.32Å; M209-L212 HydrophobicContact CE-CD2 4.42Å; M209-L212 HydrophobicContact CG-CD2 3.95Å; M209-L212 HydrophobicContact SD-CD2 3.96Å; M209-K215 HydrophobicContact CE-CB 3.89Å; M209-K215 HydrophobicContact CE-CD 3.54Å; M209-K215 HydrophobicContact CE-CG 4.36Å; M209-K215 HydrophobicContact CG-CD 4.34Å; M209-F224 HydrophobicContact CE-CD1 3.52Å; M209-F224 HydrophobicContact CE-CD2 3.89Å; M209-F224 HydrophobicContact CE-CE1 3.26Å; M209-F224 HydrophobicContact CE-CE2 3.68Å; M209-F224 HydrophobicContact CE-CG 3.82Å; M209-F224 HydrophobicContact CE-CZ 3.37Å; M209-F224 HydrophobicContact SD-CD1 4.38Å; M209-F224 HydrophobicContact SD-CD2 4.09Å; M209-F224 HydrophobicContact SD-CE2 4.31Å; M209-F224 HydrophobicContact SD-CG 4.14Å; M209-M226 HydrophobicContact CB-CE 4.08Å; M209-M226 HydrophobicContact CB-SD 3.81Å; M209-M226 HydrophobicContact CG-SD 4.13Å |
| 210 | R | 78.7 | Confident | 82.7 | Confident | 6 Ų | 6 | 45.3 Ų | 45.3 | 2% | 0.023 | 23% | 0.227 | C | C | . | . | trans | -105.5 | 169.6 | 178.6 | -48 | 175.8 | -130.5 | -95.7 | 10.9 | 110.9 | M187 I208 L212 K215 D239 W381 S383 | M187-R210 HydrophobicContact CG-CB 4.43Å; M187-R210 HydrophobicContact CG-CG 4.15Å; M187-R210 HydrophobicContact SD-CG 3.84Å; I208-R210 HydrophobicContact CG2-CG 4.25Å; R210-L212 PolarHBondContact O-N 2.82Å; R210-K215 VanDerWaalsContact O-CD 3.28Å; R210-K215 WeakPolarHBondContact O-CD 3.39Å; R210-K215 WeakPolarHBondContact O-CE 3.3Å; R210-K215 PolarHBondContact O-NZ 3.48Å; R210-D239 IonicContact CZ-OD1 3.07Å; R210-D239 IonicContact CZ-OD2 2.65Å; R210-D239 IonicContact NH1-OD1 3.74Å; R210-D239 PolarHBondContact NH1-OD1 2.69Å; R210-D239 IonicContact NH1-OD2 2.86Å; R210-D239 PolarHBondContact NH1-OD2 3.11Å; R210-D239 IonicContact NH2-OD1 2.99Å; R210-D239 PolarHBondContact NH2-OD1 3.2Å; R210-W381 HydrophobicContact CB-CG 4.32Å; R210-W381 HydrophobicContact CG-CG 4.24Å; R210-S383 PolarHBondContact NH2-OG 3.03Å; R210-S383 VanDerWaalsContact NH2-OG 3.12Å | ||
| 211 | D | 74.4 | Confident | 83.2 | Confident | 27 Ų | 27 | 40.1 Ų | 40.1 | 14% | 0.144 | 21% | 0.207 | C | C | . | . | trans | 53.2 | 49.7 | 168.3 | -45.7 | -46.4 | 0 | 0 | 0 | 112.8 | L213 E214 K215 | D211-L213 PolarHBondContact O-N 2.78Å; D211-L213 VanDerWaalsContact O-N 3.12Å; D211-E214 HydrophobicContact CB-CB 4.04Å; D211-E214 PolarHBondContact O-N 3.27Å; D211-K215 PolarHBondContact O-N 2.99Å; D211-K215 VanDerWaalsContact O-N 3.12Å | ||
| 212 | L | 80.1 | Confident | 83.3 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -34.1 | -168.9 | -60.5 | 175.8 | 0 | 0 | 0 | 113.5 | L113 L122 L149 L183 R186 L188 M209 R210 | L113-L212 HydrophobicContact CD1-CD2 3.91Å; L122-L212 HydrophobicContact CD2-CD1 3.8Å; L149-L212 HydrophobicContact CD1-CD1 3.96Å; L183-L212 HydrophobicContact CD2-CD1 4.41Å; R186-L212 HydrophobicContact CB-CD1 4.24Å; L188-L212 HydrophobicContact CB-CD2 4.14Å; M209-L212 HydrophobicContact CB-CD2 4.32Å; M209-L212 HydrophobicContact CE-CD2 4.42Å; M209-L212 HydrophobicContact CG-CD2 3.95Å; M209-L212 HydrophobicContact SD-CD2 3.96Å; R210-L212 PolarHBondContact O-N 2.82Å |
| 213 | L | 75.3 | Confident | 83.6 | Confident | 56 Ų | 56 | 40.3 Ų | 40.3 | 29% | 0.293 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -20.2 | 178.4 | -65.2 | -178.1 | 0 | 0 | 0 | 114.1 | V180 L183 T184 D211 S216 L218 | V180-L213 HydrophobicContact CG2-CD1 4.44Å; V180-L213 HydrophobicContact CG2-CD2 4.14Å; L183-L213 HydrophobicContact CB-CD1 4.22Å; L183-L213 HydrophobicContact CB-CD2 4.36Å; L183-L213 HydrophobicContact CB-CG 4.02Å; L183-L213 HydrophobicContact CD1-CD2 4.17Å; T184-L213 HydrophobicContact CG2-CD1 3.63Å; D211-L213 PolarHBondContact O-N 2.78Å; D211-L213 VanDerWaalsContact O-N 3.12Å; L213-S216 CarbonylContact C-O 3.52Å; L213-S216 VanDerWaalsContact O-O 3.14Å; L213-L218 HydrophobicContact CD2-CD1 3.61Å; L213-L218 HydrophobicContact CD2-CG 4.37Å |
| 214 | E | 70 | Confident | 83.6 | Confident | 146 Ų | 146 | 38.4 Ų | 38.4 | 68% | 0.682 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81 | -33.7 | 176.8 | -168.8 | 175.4 | -178.6 | 0 | 0 | 110.5 | D211 | D211-E214 HydrophobicContact CB-CB 4.04Å; D211-E214 PolarHBondContact O-N 3.27Å |
| 215 | K | 67.1 | Low | 83.7 | Confident | 38 Ų | 38 | 38.8 Ų | 38.8 | 17% | 0.165 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -80.1 | -19.4 | -178.4 | -66.6 | 178.5 | -178.6 | 167.9 | 0 | 114 | Y96 M209 R210 D211 F224 | Y96-K215 PolarHBondContact OH-NZ 2.7Å; M209-K215 HydrophobicContact CE-CB 3.89Å; M209-K215 HydrophobicContact CE-CD 3.54Å; M209-K215 HydrophobicContact CE-CG 4.36Å; M209-K215 HydrophobicContact CG-CD 4.34Å; R210-K215 VanDerWaalsContact O-CD 3.28Å; R210-K215 WeakPolarHBondContact O-CD 3.39Å; R210-K215 WeakPolarHBondContact O-CE 3.3Å; R210-K215 PolarHBondContact O-NZ 3.48Å; D211-K215 PolarHBondContact O-N 2.99Å; D211-K215 VanDerWaalsContact O-N 3.12Å; K215-F224 HydrophobicContact CB-CE1 4.18Å |
| 216 | S | 76.1 | Confident | 83.6 | Confident | 10 Ų | 10 | 38.9 Ų | 38.9 | 7% | 0.07 | 20% | 0.201 | C | C | . | . | trans | -159.1 | 143 | -177.4 | 171.4 | 0 | 0 | 0 | 0 | 110.6 | L213 L218 T222 | L213-S216 CarbonylContact C-O 3.52Å; L213-S216 VanDerWaalsContact O-O 3.14Å; S216-L218 PolarHBondContact O-N 2.99Å; S216-L218 PolarHBondContact OG-N 3.31Å; S216-T222 WeakPolarHBondContact OG-CB 3.1Å; S216-T222 PolarHBondContact OG-OG1 3.23Å | ||
| 217 | D | 79.4 | Confident | 83.8 | Confident | 100 Ų | 100 | 39.9 Ų | 39.9 | 54% | 0.535 | 21% | 0.205 | S | C | . | . | trans | -67.3 | -15.1 | 170 | 66.7 | 12 | 0 | 0 | 0 | 112.7 | Y117 V219 | Y117-D217 PolarHBondContact OH-O 2.72Å; D217-V219 HydrophobicContact CB-CG2 4Å; D217-V219 PolarHBondContact O-N 3.43Å; D217-V219 PolarHBondContact OD1-N 3.01Å | ||
| 218 | L | 85.4 | Confident | 83.9 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | 56.2 | 16.8 | -177.9 | -57.7 | 177.9 | 0 | 0 | 0 | 113.3 | L113 Y115 L122 L183 L213 S216 | L113-L218 HydrophobicContact CB-CD2 3.75Å; Y115-L218 PolarHBondContact N-O 3.36Å; L122-L218 HydrophobicContact CD1-CD1 3.99Å; L122-L218 HydrophobicContact CD1-CD2 4.48Å; L183-L218 HydrophobicContact CD1-CD1 3.87Å; L213-L218 HydrophobicContact CD2-CD1 3.61Å; L213-L218 HydrophobicContact CD2-CG 4.37Å; S216-L218 PolarHBondContact O-N 2.99Å; S216-L218 PolarHBondContact OG-N 3.31Å | ||
| 219 | V | 87.7 | Confident | 83.8 | Confident | 102 Ų | 102 | 39.5 Ų | 39.5 | 62% | 0.618 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -73.6 | -38.2 | 177.3 | 176.8 | 0 | 0 | 0 | 0 | 110 | D217 | D217-V219 HydrophobicContact CB-CG2 4Å; D217-V219 PolarHBondContact O-N 3.43Å; D217-V219 PolarHBondContact OD1-N 3.01Å |
| 220 | S | 87.9 | Confident | 83.6 | Confident | 71 Ų | 71 | 41.3 Ų | 41.3 | 50% | 0.497 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -122.1 | 171 | 174.7 | 71.4 | 0 | 0 | 0 | 0 | 110.6 | T222 | S220-T222 PolarHBondContact O-N 3.14Š|
| 221 | W | 91.7 | Very high | 83 | Confident | 99 Ų | 99 | 42.7 Ų | 42.7 | 38% | 0.375 | 22% | 0.221 | S | C | . | . | trans | -65.3 | 115.9 | 173.1 | -71.8 | 109.2 | 0 | 0 | 0 | 110 | S112 L113 R114 M123 H125 V173 | S112-W221 WeakPolarHBondContact O-CZ3 3.29Å; S112-W221 VanDerWaalsContact OG-CE3 3.27Å; L113-W221 WeakPolarHBondContact O-CA 3.5Å; R114-W221 HydrophobicContact CB-CD2 4.01Å; R114-W221 HydrophobicContact CB-CE3 3.98Å; R114-W221 HydrophobicContact CB-CG 4.38Å; R114-W221 HydrophobicContact CB-CZ3 4.44Å; R114-W221 HydrophobicContact CG-CD2 3.72Å; R114-W221 HydrophobicContact CG-CE3 3.74Å; R114-W221 HydrophobicContact CG-CG 4.42Å; R114-W221 HydrophobicContact CG-CH2 3.9Å; R114-W221 HydrophobicContact CG-CZ2 3.87Å; R114-W221 HydrophobicContact CG-CZ3 3.81Å; R114-W221 VanDerWaalsContact NE-CE2 3.26Å; M123-W221 HydrophobicContact CB-CH2 3.73Å; M123-W221 HydrophobicContact CB-CZ2 4.47Å; M123-W221 HydrophobicContact CB-CZ3 4.13Å; H125-W221 HydrophobicContact CB-CE3 4.11Å; H125-W221 HydrophobicContact CB-CH2 3.75Å; H125-W221 HydrophobicContact CB-CZ2 4.46Å; H125-W221 HydrophobicContact CB-CZ3 3.56Å; V173-W221 HydrophobicContact CG1-CH2 4.08Å; V173-W221 HydrophobicContact CG2-CH2 4.37Å | ||
| 222 | T | 90.7 | Very high | 82.2 | Confident | 28 Ų | 28 | 45.3 Ų | 45.3 | 17% | 0.172 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 124.1 | 173.4 | -55 | 0 | 0 | 0 | 0 | 108.9 | S112 L113 S216 S220 F224 | S112-T222 CarbonylContact C-O 3.56Å; S112-T222 WeakPolarHBondContact CA-O 3.37Å; S112-T222 WeakPolarHBondContact CB-O 3.09Å; L113-T222 PolarHBondContact N-O 3Å; L113-T222 PolarHBondContact O-N 2.96Å; S216-T222 WeakPolarHBondContact OG-CB 3.1Å; S216-T222 PolarHBondContact OG-OG1 3.23Å; S220-T222 PolarHBondContact O-N 3.14Å; T222-F224 HydrophobicContact CG2-CE1 4.02Å; T222-F224 HydrophobicContact CG2-CE2 3.91Å; T222-F224 HydrophobicContact CG2-CZ 3.47Å; T222-F224 VanDerWaalsContact CG2-CZ 3.47Å; T222-F224 WeakPolarHBondContact O-CD2 3.49Å; T222-F224 WeakPolarHBondContact O-CE2 3.42Å |
| 223 | E | 92.4 | Very high | 81.2 | Confident | 83 Ų | 83 | 52.4 Ų | 52.4 | 39% | 0.388 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 138.1 | -178.8 | -172.5 | 177.7 | 111.7 | 0 | 0 | 112.2 | T110 I127 | T110-E223 HydrophobicContact CG2-CG 3.6Å; I127-E223 HydrophobicContact CD1-CG 4.13Å; I127-E223 WeakPolarHBondContact CD1-OE2 3.33Å |
| 224 | F | 91.3 | Very high | 80.4 | Confident | 4 Ų | 4 | 57 Ų | 57 | 2% | 0.018 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 137.6 | 177.3 | -53.6 | -85.2 | 0 | 0 | 0 | 109.4 | Q94 T110 F111 L113 M209 K215 T222 | Q94-F224 HydrophobicContact CB-CD1 4.16Å; T110-F224 VanDerWaalsContact CA-O 3.3Å; T110-F224 WeakPolarHBondContact CA-O 3.39Å; F111-F224 HydrophobicContact CD2-CD2 4.36Å; F111-F224 HydrophobicContact CE2-CB 4.21Å; F111-F224 AromaticContact CE2-CD2 3.98Å; F111-F224 HydrophobicContact CE2-CD2 3.98Å; F111-F224 HydrophobicContact CE2-CG 4.41Å; F111-F224 HydrophobicContact CZ-CB 4.17Å; F111-F224 PolarHBondContact N-O 2.84Å; F111-F224 PolarHBondContact O-N 3.03Å; L113-F224 HydrophobicContact CB-CE2 4.02Å; L113-F224 HydrophobicContact CD1-CD2 4.35Å; L113-F224 HydrophobicContact CD1-CE2 3.94Å; L113-F224 HydrophobicContact CG-CD2 4.17Å; L113-F224 HydrophobicContact CG-CE2 3.9Å; M209-F224 HydrophobicContact CE-CD1 3.52Å; M209-F224 HydrophobicContact CE-CD2 3.89Å; M209-F224 HydrophobicContact CE-CE1 3.26Å; M209-F224 HydrophobicContact CE-CE2 3.68Å; M209-F224 HydrophobicContact CE-CG 3.82Å; M209-F224 HydrophobicContact CE-CZ 3.37Å; M209-F224 HydrophobicContact SD-CD1 4.38Å; M209-F224 HydrophobicContact SD-CD2 4.09Å; M209-F224 HydrophobicContact SD-CE2 4.31Å; M209-F224 HydrophobicContact SD-CG 4.14Å; K215-F224 HydrophobicContact CB-CE1 4.18Å; T222-F224 HydrophobicContact CG2-CE1 4.02Å; T222-F224 HydrophobicContact CG2-CE2 3.91Å; T222-F224 HydrophobicContact CG2-CZ 3.47Å; T222-F224 VanDerWaalsContact CG2-CZ 3.47Å; T222-F224 WeakPolarHBondContact O-CD2 3.49Å; T222-F224 WeakPolarHBondContact O-CE2 3.42Å |
| 225 | T | 92 | Very high | 80.2 | Confident | 7 Ų | 7 | 53.1 Ų | 53.1 | 4% | 0.043 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 127 | 165.4 | -62.5 | 0 | 0 | 0 | 0 | 109.1 | V93 Y96 Q108 I109 T110 | V93-T225 HydrophobicContact CG1-CG2 4.43Å; V93-T225 WeakPolarHBondContact CG1-OG1 3.14Å; Y96-T225 PolarHBondContact N-O 3.04Å; Q108-T225 HydrophobicContact CB-CG2 3.92Å; I109-T225 WeakPolarHBondContact O-CA 3.36Å; T110-T225 WeakPolarHBondContact CG2-OG1 3Å; T110-T225 PolarHBondContact OG1-OG1 3.01Å |
| 226 | M | 89.9 | Confident | 80.4 | Confident | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 141.8 | -173.4 | -58.8 | -173.1 | 64.1 | 0 | 0 | 110.4 | Y96 Q108 I109 F111 V207 I208 M209 I228 | Y96-M226 HydrophobicContact CD1-CE 3.23Å; Y96-M226 HydrophobicContact CD1-SD 4.46Å; Y96-M226 HydrophobicContact CE1-CE 3.71Å; Y96-M226 HydrophobicContact CG-CE 4.04Å; Q108-M226 CarbonylContact C-O 3.47Å; Q108-M226 VanDerWaalsContact CA-O 3.28Å; Q108-M226 WeakPolarHBondContact CA-O 3.48Å; Q108-M226 WeakPolarHBondContact CB-O 3.38Å; I109-M226 HydrophobicContact CG2-CB 4.41Å; I109-M226 PolarHBondContact N-O 3.49Å; I109-M226 PolarHBondContact O-N 3.3Å; F111-M226 HydrophobicContact CE1-CG 4.15Å; F111-M226 HydrophobicContact CE1-SD 3.74Å; F111-M226 HydrophobicContact CZ-CG 4.42Å; F111-M226 HydrophobicContact CZ-SD 3.58Å; F111-M226 VanDerWaalsContact CZ-SD 3.58Å; V207-M226 HydrophobicContact CB-CB 4.46Å; V207-M226 HydrophobicContact CG1-CB 3.4Å; V207-M226 VanDerWaalsContact CG1-CB 3.4Å; V207-M226 HydrophobicContact CG1-CE 3.47Å; V207-M226 VanDerWaalsContact CG1-CE 3.47Å; V207-M226 HydrophobicContact CG1-CG 3.89Å; V207-M226 HydrophobicContact CG1-SD 3.31Å; V207-M226 WeakPolarHBondContact CG1-SD 3.3Å; V207-M226 HydrophobicContact CG2-CB 4.24Å; I208-M226 WeakPolarHBondContact O-CE 3.46Å; M209-M226 HydrophobicContact CB-CE 4.08Å; M209-M226 HydrophobicContact CB-SD 3.81Å; M209-M226 HydrophobicContact CG-SD 4.13Å; M226-I228 PolarHBondContact O-N 3.46Å |
| 227 | Q | 90.2 | Very high | 80.9 | Confident | 36 Ų | 36 | 55 Ų | 55 | 17% | 0.168 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 131.5 | 175.3 | -59.9 | -59.4 | -15.5 | 0 | 0 | 110.5 | H95 T105 G107 Q108 V207 V229 | H95-Q227 PolarHBondContact CE1-NE2 3.42Å; H95-Q227 VanDerWaalsContact CE1-NE2 3.34Å; T105-Q227 HydrophobicContact CG2-CB 4Å; T105-Q227 HydrophobicContact CG2-CG 4.22Å; G107-Q227 PolarHBondContact O-OE1 2.88Å; Q108-Q227 VanDerWaalsContact OE1-NE2 3.14Å; V207-Q227 WeakPolarHBondContact CG2-O 3.47Å; Q227-V229 PolarHBondContact O-N 2.85Å |
| 228 | I | 90.8 | Very high | 81.2 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 120.3 | 170.1 | -58.4 | 164.4 | 0 | 0 | 0 | 106.7 | T105 R106 G107 I109 A129 V132 V192 V207 M226 | T105-I228 CarbonylContact C-O 3.57Å; T105-I228 WeakPolarHBondContact CA-O 3.48Å; R106-I228 HydrophobicContact CB-CB 4.42Å; R106-I228 HydrophobicContact CB-CG2 4.1Å; R106-I228 PolarHBondContact N-O 2.61Å; G107-I228 WeakPolarHBondContact O-CB 3.47Å; G107-I228 PolarHBondContact O-N 3.12Å; I109-I228 HydrophobicContact CB-CD1 4.49Å; I109-I228 HydrophobicContact CB-CG1 4.23Å; A129-I228 HydrophobicContact CB-CD1 4.47Å; V132-I228 HydrophobicContact CG2-CD1 4.21Å; V192-I228 HydrophobicContact CB-CG2 4.45Å; V192-I228 HydrophobicContact CG2-CD1 3.89Å; V192-I228 HydrophobicContact CG2-CG1 4.07Å; V192-I228 HydrophobicContact CG2-CG2 4.16Å; V207-I228 HydrophobicContact CG2-CB 4.48Å; V207-I228 HydrophobicContact CG2-CG1 4.13Å; M226-I228 PolarHBondContact O-N 3.46Å |
| 229 | V | 84.3 | Confident | 81.2 | Confident | 12 Ų | 12 | 50.6 Ų | 50.6 | 7% | 0.073 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 128.7 | -176.3 | -177 | 0 | 0 | 0 | 0 | 108.5 | Y100 R104 G205 N206 Q227 N231 | Y100-V229 HydrophobicContact CD1-CG1 3.77Å; Y100-V229 HydrophobicContact CD2-CB 4.17Å; Y100-V229 HydrophobicContact CD2-CG1 3.79Å; Y100-V229 HydrophobicContact CD2-CG2 3.28Å; Y100-V229 HydrophobicContact CE1-CG1 3.84Å; Y100-V229 HydrophobicContact CE2-CB 4.11Å; Y100-V229 HydrophobicContact CE2-CG1 3.84Å; Y100-V229 HydrophobicContact CE2-CG2 3.36Å; Y100-V229 HydrophobicContact CG-CG1 3.74Å; Y100-V229 HydrophobicContact CG-CG2 4.04Å; R104-V229 HydrophobicContact CB-CG1 4.46Å; G205-V229 CarbonylContact C-O 3.54Å; G205-V229 WeakPolarHBondContact CA-O 3.3Å; N206-V229 PolarHBondContact N-O 3.47Å; N206-V229 PolarHBondContact O-N 3.49Å; Q227-V229 PolarHBondContact O-N 2.85Å; V229-N231 PolarHBondContact O-N 2.87Å |
| 230 | D | 79.5 | Confident | 81.3 | Confident | 40 Ų | 40 | 45.7 Ų | 45.7 | 21% | 0.214 | 22% | 0.223 | C | C | . | . | trans | -51.2 | 134.3 | 175.8 | -166.1 | -8.8 | 0 | 0 | 0 | 111.1 | R104 R106 D232 | R104-D230 PolarHBondContact O-N 3Å; R106-D230 HydrophobicContact CG-CB 3.91Å; R106-D230 IonicContact CZ-OD2 3.99Å; R106-D230 IonicContact NE-OD2 2.74Å; R106-D230 PolarHBondContact NE-OD2 3.29Å; R106-D230 IonicContact NH2-OD1 2.65Å; R106-D230 IonicContact NH2-OD2 3.53Å; R106-D230 PolarHBondContact NH2-OD2 3.17Å; D230-D232 PolarHBondContact O-N 2.92Å; D230-D232 PolarHBondContact OD1-N 3.2Å | ||
| 231 | N | 66.4 | Low | 81.3 | Confident | 35 Ų | 35 | 42.6 Ų | 42.6 | 19% | 0.187 | 20% | 0.201 | C | C | . | . | trans | -94.3 | 46.1 | 178 | -166.1 | 9 | 0 | 0 | 0 | 110.5 | I203 N206 V229 K233 | I203-N231 HydrophobicContact CG2-CB 3.76Å; N206-N231 VanDerWaalsContact ND2-CB 3.3Å; N206-N231 WeakPolarHBondContact ND2-CB 3.19Å; N206-N231 PolarHBondContact ND2-ND2 2.79Å; V229-N231 PolarHBondContact O-N 2.87Å; N231-K233 PolarHBondContact O-N 2.69Å | ||
| 232 | D | 57.8 | Low | 81.3 | Confident | 83 Ų | 83 | 37.9 Ų | 37.9 | 44% | 0.444 | 18% | 0.183 | S | C | . | . | trans | -66.2 | 94.9 | 169.7 | -157.6 | -8.3 | 0 | 0 | 0 | 106.5 | D230 K234 D235 | D230-D232 PolarHBondContact O-N 2.92Å; D230-D232 PolarHBondContact OD1-N 3.2Å; D232-K234 PolarHBondContact O-N 3.21Å; D232-D235 PolarHBondContact O-N 3.17Å | ||
| 233 | K | 58.4 | Low | 81.3 | Confident | 148 Ų | 148 | 39 Ų | 39 | 64% | 0.643 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | -20.3 | -174.3 | -68 | -175 | 177.4 | -175.7 | 0 | 112.4 | N231 D235 R264 | N231-K233 PolarHBondContact O-N 2.69Å; K233-D235 PolarHBondContact O-N 3.41Å; K233-R264 PolarHBondContact O-NH2 2.99Å |
| 234 | K | 60.5 | Low | 81.3 | Confident | 153 Ų | 153 | 35.2 Ų | 35.2 | 67% | 0.665 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -23.9 | 175.1 | -69.6 | -177 | 179.6 | 175.3 | 0 | 113.5 | D232 Y237 R264 | D232-K234 PolarHBondContact O-N 3.21Å; K234-Y237 PolarHBondContact O-OH 2.66Å; K234-R264 PolarHBondContact O-NH1 2.82Å; K234-R264 PolarHBondContact O-NH2 3.14Å |
| 235 | D | 63.8 | Low | 81.3 | Confident | 64 Ų | 64 | 40.2 Ų | 40.2 | 34% | 0.342 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -122.5 | 0.7 | -173.1 | -67.9 | -22.8 | 0 | 0 | 0 | 115.6 | R104 D232 K233 Y237 R264 | R104-D235 IonicContact CZ-OD2 3.07Å; R104-D235 VanDerWaalsContact NH2-CB 3.29Å; R104-D235 IonicContact NH2-OD2 2.73Å; R104-D235 PolarHBondContact NH2-OD2 3.16Å; D232-D235 PolarHBondContact O-N 3.17Å; K233-D235 PolarHBondContact O-N 3.41Å; D235-Y237 VanDerWaalsContact O-CD2 3.24Å; D235-Y237 WeakPolarHBondContact O-CD2 2.89Å; D235-R264 VanDerWaalsContact N-NH2 3.17Å |
| 236 | D | 73.4 | Confident | 81.3 | Confident | 47 Ų | 47 | 40 Ų | 40 | 25% | 0.251 | 19% | 0.188 | S | C | . | . | trans | -88.7 | 108 | 168.9 | -176.3 | 3.3 | 0 | 0 | 0 | 110.4 | G238 N262 R264 | D236-G238 PolarHBondContact OD1-N 3.31Å; D236-N262 PolarHBondContact OD2-ND2 2.65Å; D236-R264 VanDerWaalsContact O-CZ 3.28Å; D236-R264 PolarHBondContact O-NE 2.65Å; D236-R264 PolarHBondContact O-NH2 2.97Å | ||
| 237 | Y | 85.9 | Confident | 81.3 | Confident | 41 Ų | 41 | 42 Ų | 42 | 16% | 0.161 | 20% | 0.197 | C | C | . | . | trans | -98.6 | 3.5 | -179 | -65.8 | -94.3 | 0 | 0 | 0 | 112.4 | K234 D235 R264 L337 L384 P386 | K234-Y237 PolarHBondContact O-OH 2.66Å; D235-Y237 VanDerWaalsContact O-CD2 3.24Å; D235-Y237 WeakPolarHBondContact O-CD2 2.89Å; Y237-R264 PolarHBondContact OH-NH1 3.1Å; Y237-L337 VanDerWaalsContact CD1-O 3.29Å; Y237-L337 WeakPolarHBondContact CD1-O 3.48Å; Y237-L384 WeakPolarHBondContact O-CD1 3.26Å; Y237-P386 HydrophobicContact CD2-CB 4.07Å; Y237-P386 HydrophobicContact CE1-CB 3.93Å; Y237-P386 VanDerWaalsContact CE2-CA 3.48Å; Y237-P386 HydrophobicContact CE2-CB 3.36Å; Y237-P386 HydrophobicContact CE2-CG 4.2Å; Y237-P386 VanDerWaalsContact CZ-CA 3.41Å; Y237-P386 WeakPolarHBondContact OH-CB 3.01Å | ||
| 238 | G | 84.9 | Confident | 81.3 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | trans | 87.2 | -177.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | D236 Y261 N262 L384 | D236-G238 PolarHBondContact OD1-N 3.31Å; G238-Y261 CarbonylContact C-O 3.45Å; G238-Y261 WeakPolarHBondContact CA-O 3.38Å; G238-N262 VanDerWaalsContact CA-O 3.27Å; G238-N262 WeakPolarHBondContact CA-O 3.24Å; G238-L384 VanDerWaalsContact O-CB 3.28Å; G238-L384 WeakPolarHBondContact O-CB 3.13Å; G238-L384 WeakPolarHBondContact O-CG 3.27Å; G238-L384 PolarHBondContact O-N 3.39Å | ||
| 239 | D | 85.7 | Confident | 81.3 | Confident | 6 Ų | 6 | 51.5 Ų | 51.5 | 3% | 0.032 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 154.1 | -178.8 | -58 | -78.7 | 0 | 0 | 0 | 111.1 | R210 A260 Y261 W381 H382 S383 | R210-D239 IonicContact CZ-OD1 3.07Å; R210-D239 IonicContact CZ-OD2 2.65Å; R210-D239 IonicContact NH1-OD1 3.74Å; R210-D239 PolarHBondContact NH1-OD1 2.69Å; R210-D239 IonicContact NH1-OD2 2.86Å; R210-D239 PolarHBondContact NH1-OD2 3.11Å; R210-D239 IonicContact NH2-OD1 2.99Å; R210-D239 PolarHBondContact NH2-OD1 3.2Å; D239-A260 CarbonylContact O-C 3.47Å; D239-A260 WeakPolarHBondContact O-CA 3.32Å; D239-A260 WeakPolarHBondContact O-CB 3.16Å; D239-Y261 PolarHBondContact N-O 3.26Å; D239-Y261 PolarHBondContact O-N 2.9Å; D239-W381 HydrophobicContact CB-CE3 3.75Å; D239-W381 HydrophobicContact CB-CZ3 4.08Å; D239-H382 CarbonylContact C-O 3.57Å; D239-H382 VanDerWaalsContact CA-O 3.3Å; D239-H382 WeakPolarHBondContact CA-O 3.33Å; D239-S383 WeakPolarHBondContact OD1-CA 3.38Å; D239-S383 WeakPolarHBondContact OD1-CB 3.2Å; D239-S383 PolarHBondContact OD1-OG 2.99Å |
| 240 | I | 90.5 | Very high | 81.6 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 131.9 | 176.1 | -170.6 | 169 | 0 | 0 | 0 | 111.6 | L242 V257 A260 V276 I323 V325 W381 H382 L384 | I240-L242 HydrophobicContact CD1-CD2 3.91Å; I240-L242 HydrophobicContact CD1-CG 4.4Å; I240-L242 HydrophobicContact CG1-CD2 4.03Å; I240-L242 HydrophobicContact CG1-CG 4.13Å; I240-L242 HydrophobicContact CG2-CD1 4.12Å; I240-L242 HydrophobicContact CG2-CG 4.29Å; I240-V257 HydrophobicContact CD1-CG1 4.24Å; I240-A260 HydrophobicContact CB-CB 4.4Å; I240-A260 HydrophobicContact CG1-CB 4.36Å; I240-V276 HydrophobicContact CD1-CB 4.5Å; I240-V276 HydrophobicContact CD1-CG1 3.96Å; I240-V276 HydrophobicContact CD1-CG2 3.69Å; I240-I323 HydrophobicContact CD1-CG2 4.25Å; I240-V325 HydrophobicContact CD1-CG2 3.82Å; I240-W381 VanDerWaalsContact C-CE3 3.43Å; I240-W381 CarbonylContact O-C 3.56Å; I240-W381 WeakPolarHBondContact O-CA 3.38Å; I240-H382 HydrophobicContact CG2-CB 4.02Å; I240-H382 PolarHBondContact N-O 2.91Å; I240-H382 PolarHBondContact O-N 3.48Å; I240-L384 HydrophobicContact CB-CD2 4.32Å; I240-L384 HydrophobicContact CG2-CD2 3.72Å; I240-L384 HydrophobicContact CG2-CG 4.45Å |
| 241 | L | 88.3 | Confident | 82.3 | Confident | 6 Ų | 6 | 58.7 Ų | 58.7 | 3% | 0.031 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 120.1 | 173.3 | 178.7 | 58.3 | 0 | 0 | 0 | 109.8 | Y243 G258 R259 W381 | L241-Y243 HydrophobicContact CD1-CE2 4.48Å; L241-Y243 HydrophobicContact CD2-CE2 4.14Å; L241-Y243 HydrophobicContact CG-CE2 3.96Å; L241-G258 PolarHBondContact O-N 3.26Å; L241-R259 HydrophobicContact CB-CG 4.07Å; L241-R259 HydrophobicContact CD2-CG 4.2Å; L241-R259 PolarHBondContact N-O 3.13Å; L241-W381 HydrophobicContact CB-CD2 3.8Å; L241-W381 HydrophobicContact CB-CE3 3.8Å; L241-W381 HydrophobicContact CB-CH2 3.94Å; L241-W381 HydrophobicContact CB-CZ2 3.92Å; L241-W381 HydrophobicContact CB-CZ3 3.87Å; L241-W381 HydrophobicContact CD1-CD2 4.28Å; L241-W381 HydrophobicContact CD1-CG 4.2Å; L241-W381 HydrophobicContact CD2-CZ2 4.13Å |
| 242 | L | 91.2 | Very high | 83.7 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 142.8 | -179.3 | -63 | 170.7 | 0 | 0 | 0 | 109.6 | I240 V257 I323 I342 Q354 G379 M380 | I240-L242 HydrophobicContact CD1-CD2 3.91Å; I240-L242 HydrophobicContact CD1-CG 4.4Å; I240-L242 HydrophobicContact CG1-CD2 4.03Å; I240-L242 HydrophobicContact CG1-CG 4.13Å; I240-L242 HydrophobicContact CG2-CD1 4.12Å; I240-L242 HydrophobicContact CG2-CG 4.29Å; L242-V257 HydrophobicContact CD2-CB 4.43Å; L242-V257 HydrophobicContact CD2-CG1 4.34Å; L242-V257 HydrophobicContact CD2-CG2 4.12Å; L242-I323 HydrophobicContact CD1-CB 4.44Å; L242-I323 HydrophobicContact CD1-CD1 4.21Å; L242-I323 HydrophobicContact CD1-CG1 4Å; L242-I323 HydrophobicContact CD1-CG2 4.21Å; L242-I342 HydrophobicContact CB-CD1 4.3Å; L242-I342 HydrophobicContact CD1-CD1 3.54Å; L242-Q354 PolarHBondContact O-NE2 3.36Å; L242-G379 WeakPolarHBondContact O-CA 3.2Å; L242-M380 PolarHBondContact N-O 2.87Å; L242-M380 PolarHBondContact O-N 3.06Å |
| 243 | Y | 90 | Very high | 85.5 | Confident | 52 Ų | 52 | 55.8 Ų | 55.8 | 20% | 0.204 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 131.1 | 166.8 | -51.9 | -105.2 | 0 | 0 | 0 | 108.3 | L241 V255 T256 L376 N378 G379 | L241-Y243 HydrophobicContact CD1-CE2 4.48Å; L241-Y243 HydrophobicContact CD2-CE2 4.14Å; L241-Y243 HydrophobicContact CG-CE2 3.96Å; Y243-V255 CarbonylContact O-C 3.52Å; Y243-V255 WeakPolarHBondContact O-CA 3.49Å; Y243-T256 HydrophobicContact CD2-CG2 4.23Å; Y243-T256 PolarHBondContact N-O 3.46Å; Y243-T256 PolarHBondContact O-N 3.31Å; Y243-L376 HydrophobicContact CD1-CD2 3.83Å; Y243-L376 HydrophobicContact CE1-CB 4.33Å; Y243-L376 HydrophobicContact CE1-CD2 3.38Å; Y243-L376 HydrophobicContact CE1-CG 4.47Å; Y243-L376 WeakPolarHBondContact CE1-O 3.26Å; Y243-L376 HydrophobicContact CE2-CD2 4.32Å; Y243-L376 HydrophobicContact CG-CD2 4.49Å; Y243-N378 WeakPolarHBondContact CA-O 3.46Å; Y243-G379 VanDerWaalsContact CD1-N 3.3Å |
| 244 | V | 92.6 | Very high | 87.2 | Confident | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.018 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 126.1 | -178.8 | -173.3 | 0 | 0 | 0 | 0 | 109.4 | L253 V255 I342 Q354 C358 N378 | V244-L253 HydrophobicContact CG1-CD1 3.8Å; V244-V255 HydrophobicContact CG2-CG1 4.4Å; V244-I342 HydrophobicContact CG2-CD1 3.9Å; V244-I342 HydrophobicContact CG2-CG2 4.45Å; V244-Q354 HydrophobicContact CB-CG 4.34Å; V244-Q354 HydrophobicContact CG2-CG 4.29Å; V244-C358 HydrophobicContact CG1-CB 4.24Å; V244-N378 PolarHBondContact O-ND2 3.33Å |
| 245 | K | 90.8 | Very high | 88.9 | Confident | 109 Ų | 109 | 42.9 Ų | 42.9 | 47% | 0.474 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 136.1 | 178.8 | -179.3 | -171.8 | -179.2 | -164.1 | 0 | 109.4 | E247 I254 C358 | K245-E247 HydrophobicContact CD-CG 4.34Å; K245-E247 VanDerWaalsContact CE-OE1 3.3Å; K245-E247 WeakPolarHBondContact CE-OE1 3.4Å; K245-E247 IonicContact NZ-OE1 2.64Å; K245-E247 PolarHBondContact NZ-OE1 3.37Å; K245-I254 HydrophobicContact CB-CB 4.38Å; K245-I254 PolarHBondContact N-O 3.26Å; K245-I254 PolarHBondContact O-N 3.35Å; K245-C358 VanDerWaalsContact C-SG 3.52Å |
| 246 | F | 92.3 | Very high | 90.4 | Very high | 3 Ų | 3 | 41.6 Ų | 41.6 | 1% | 0.013 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 142.3 | 170.1 | -177 | -116.3 | 0 | 0 | 0 | 109.5 | P248 K252 L253 L311 T313 M316 C358 T362 | F246-P248 HydrophobicContact CD1-CB 4.46Å; F246-P248 HydrophobicContact CD1-CG 3.86Å; F246-P248 HydrophobicContact CE1-CB 3.91Å; F246-P248 HydrophobicContact CE1-CG 3.79Å; F246-K252 CarbonylContact C-O 3.57Å; F246-K252 WeakPolarHBondContact CD2-O 3.49Å; F246-L253 HydrophobicContact CB-CD1 4.29Å; F246-L253 HydrophobicContact CD2-CB 4.36Å; F246-L253 HydrophobicContact CD2-CD1 4.41Å; F246-L311 HydrophobicContact CD2-CD2 4.25Å; F246-L311 HydrophobicContact CE2-CB 4.04Å; F246-L311 HydrophobicContact CE2-CD2 4.2Å; F246-L311 HydrophobicContact CE2-CG 4.04Å; F246-L311 WeakPolarHBondContact CE2-O 3.43Å; F246-L311 WeakPolarHBondContact CZ-O 3.34Å; F246-T313 HydrophobicContact CE1-CG2 4.37Å; F246-M316 HydrophobicContact CB-CE 3.79Å; F246-M316 HydrophobicContact CD1-CE 3.63Å; F246-M316 HydrophobicContact CD1-SD 3.25Å; F246-M316 WeakPolarHBondContact CD1-SD 3.46Å; F246-M316 HydrophobicContact CD2-CE 4.01Å; F246-M316 HydrophobicContact CD2-SD 4.13Å; F246-M316 HydrophobicContact CE1-CE 4.22Å; F246-M316 HydrophobicContact CE1-CG 4.25Å; F246-M316 HydrophobicContact CE1-SD 3.25Å; F246-M316 WeakPolarHBondContact CE1-SD 3.24Å; F246-M316 HydrophobicContact CE2-CG 4.38Å; F246-M316 HydrophobicContact CE2-SD 4.14Å; F246-M316 HydrophobicContact CG-CE 3.52Å; F246-M316 HydrophobicContact CG-SD 3.72Å; F246-M316 HydrophobicContact CZ-CG 4.15Å; F246-M316 HydrophobicContact CZ-SD 3.73Å; F246-C358 VanDerWaalsContact CB-SG 3.59Å; F246-C358 PolarHBondContact N-SG 2.82Å; F246-T362 HydrophobicContact CB-CG2 3.98Å; F246-T362 HydrophobicContact CD1-CG2 4.01Å; F246-T362 HydrophobicContact CG-CG2 4.45Å; F246-T362 WeakPolarHBondContact O-CG2 3.47Å |
| 247 | E | 90.4 | Very high | 91.4 | Very high | 44 Ų | 44 | 39.3 Ų | 39.3 | 21% | 0.206 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 97.8 | 176.2 | -69.1 | -173.3 | 171.2 | 0 | 0 | 108.6 | K245 H249 E250 Q251 K252 I254 | K245-E247 HydrophobicContact CD-CG 4.34Å; K245-E247 VanDerWaalsContact CE-OE1 3.3Å; K245-E247 WeakPolarHBondContact CE-OE1 3.4Å; K245-E247 IonicContact NZ-OE1 2.64Å; K245-E247 PolarHBondContact NZ-OE1 3.37Å; E247-H249 VanDerWaalsContact C-N 3.31Å; E247-H249 PolarHBondContact O-N 2.7Å; E247-E250 HydrophobicContact CB-CB 4.49Å; E247-E250 PolarHBondContact O-N 3.48Å; E247-Q251 WeakPolarHBondContact O-CA 3.34Å; E247-Q251 PolarHBondContact O-N 3.01Å; E247-K252 PolarHBondContact N-O 3.23Å; E247-K252 PolarHBondContact O-N 2.65Å; E247-I254 VanDerWaalsContact CD-CD1 3.41Å; E247-I254 HydrophobicContact CG-CD1 4.04Å; E247-I254 WeakPolarHBondContact OE1-CD1 3.33Å |
| 248 | P | 89.4 | Confident | 91.5 | Very high | 47 Ų | 47 | 37.4 Ų | 37.4 | 31% | 0.305 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -35.1 | -171.9 | -22.3 | 30.8 | 0 | 0 | 0 | 113.7 | F246 Q251 T362 | F246-P248 HydrophobicContact CD1-CB 4.46Å; F246-P248 HydrophobicContact CD1-CG 3.86Å; F246-P248 HydrophobicContact CE1-CB 3.91Å; F246-P248 HydrophobicContact CE1-CG 3.79Å; P248-Q251 PolarHBondContact O-N 2.74Å; P248-T362 HydrophobicContact CG-CG2 3.82Å |
| 249 | H | 90.3 | Very high | 91.5 | Very high | 188 Ų | 188 | 38.7 Ų | 38.7 | 87% | 0.87 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67 | -40.4 | -179.3 | -69.6 | -67.3 | 0 | 0 | 0 | 112.4 | E247 | E247-H249 VanDerWaalsContact C-N 3.31Å; E247-H249 PolarHBondContact O-N 2.7Å |
| 250 | E | 92.5 | Very high | 91.6 | Very high | 127 Ų | 127 | 38.5 Ų | 38.5 | 59% | 0.593 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -10.2 | 178.2 | -57.7 | -161.7 | 174.9 | 0 | 0 | 112.9 | E247 K252 | E247-E250 HydrophobicContact CB-CB 4.49Å; E247-E250 PolarHBondContact O-N 3.48Å; E250-K252 VanDerWaalsContact C-N 3.29Å; E250-K252 HydrophobicContact CB-CB 4.3Å; E250-K252 HydrophobicContact CB-CG 3.6Å; E250-K252 WeakPolarHBondContact O-CE 3.36Å; E250-K252 WeakPolarHBondContact O-CG 3.37Å; E250-K252 PolarHBondContact O-N 3.24Å |
| 251 | Q | 94.2 | Very high | 91.1 | Very high | 75 Ų | 75 | 38.8 Ų | 38.8 | 35% | 0.35 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 46.2 | -171.4 | -57.3 | -171.9 | -14.1 | 0 | 0 | 111.8 | E247 P248 L311 H312 | E247-Q251 WeakPolarHBondContact O-CA 3.34Å; E247-Q251 PolarHBondContact O-N 3.01Å; P248-Q251 PolarHBondContact O-N 2.74Å; Q251-L311 CarbonylContact C-O 3.4Å; Q251-L311 VanDerWaalsContact C-O 3.28Å; Q251-L311 WeakPolarHBondContact CA-O 3.23Å; Q251-L311 WeakPolarHBondContact CB-O 3.29Å; Q251-L311 CarbonylContact O-C 3.58Å; Q251-L311 PolarHBondContact O-N 2.97Å; Q251-H312 PolarHBondContact NE2-CD2 3.49Å; Q251-H312 PolarHBondContact NE2-NE2 2.9Å; Q251-H312 PolarHBondContact OE1-CD2 3.2Å |
| 252 | K | 95 | Very high | 90.6 | Very high | 58 Ų | 58 | 40.2 Ų | 40.2 | 25% | 0.252 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 135.6 | -177.6 | -58.5 | -61.4 | 175.2 | 174.1 | 0 | 111.2 | F246 E247 E250 I254 V308 F309 D310 | F246-K252 CarbonylContact C-O 3.57Å; F246-K252 WeakPolarHBondContact CD2-O 3.49Å; E247-K252 PolarHBondContact N-O 3.23Å; E247-K252 PolarHBondContact O-N 2.65Å; E250-K252 VanDerWaalsContact C-N 3.29Å; E250-K252 HydrophobicContact CB-CB 4.3Å; E250-K252 HydrophobicContact CB-CG 3.6Å; E250-K252 WeakPolarHBondContact O-CE 3.36Å; E250-K252 WeakPolarHBondContact O-CG 3.37Å; E250-K252 PolarHBondContact O-N 3.24Å; K252-I254 HydrophobicContact CB-CG1 4.5Å; K252-V308 HydrophobicContact CB-CG1 3.93Å; K252-V308 HydrophobicContact CD-CG1 3.91Å; K252-V308 HydrophobicContact CG-CG1 4.12Å; K252-F309 CarbonylContact C-O 3.56Å; K252-F309 WeakPolarHBondContact CA-O 3.38Å; K252-D310 IonicContact NZ-OD1 3.85Å; K252-D310 PolarHBondContact NZ-OD1 3.34Å |
| 253 | L | 95.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 116.6 | 164.8 | -178.4 | 72.9 | 0 | 0 | 0 | 108.6 | V244 F246 V255 V308 F309 L311 L321 W355 | V244-L253 HydrophobicContact CG1-CD1 3.8Å; F246-L253 HydrophobicContact CB-CD1 4.29Å; F246-L253 HydrophobicContact CD2-CB 4.36Å; F246-L253 HydrophobicContact CD2-CD1 4.41Å; L253-V255 HydrophobicContact CG-CG2 4.39Å; L253-V308 CarbonylContact O-C 3.51Å; L253-V308 WeakPolarHBondContact O-CA 3.37Å; L253-F309 HydrophobicContact CB-CB 4.29Å; L253-F309 PolarHBondContact N-O 3.15Å; L253-F309 PolarHBondContact O-N 3.01Å; L253-L311 HydrophobicContact CB-CB 4.03Å; L253-L311 HydrophobicContact CB-CD2 3.97Å; L253-L311 HydrophobicContact CD1-CD2 4.38Å; L253-L311 HydrophobicContact CD2-CD2 4Å; L253-L311 HydrophobicContact CG-CD2 4.36Å; L253-L321 HydrophobicContact CD2-CD1 3.81Å; L253-L321 HydrophobicContact CD2-CD2 3.87Å; L253-L321 HydrophobicContact CD2-CG 4.04Å; L253-W355 HydrophobicContact CD1-CH2 4.34Å; L253-W355 HydrophobicContact CD1-CZ3 4.04Å; L253-W355 HydrophobicContact CD2-CH2 3.91Å; L253-W355 HydrophobicContact CD2-CZ3 3.83Å |
| 254 | I | 94.8 | Very high | 90 | Very high | 30 Ų | 30 | 40 Ų | 40 | 15% | 0.154 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 119.9 | -177.5 | -56.5 | 177 | 0 | 0 | 0 | 107.9 | K245 E247 K252 V306 V308 | K245-I254 HydrophobicContact CB-CB 4.38Å; K245-I254 PolarHBondContact N-O 3.26Å; K245-I254 PolarHBondContact O-N 3.35Å; E247-I254 VanDerWaalsContact CD-CD1 3.41Å; E247-I254 HydrophobicContact CG-CD1 4.04Å; E247-I254 WeakPolarHBondContact OE1-CD1 3.33Å; K252-I254 HydrophobicContact CB-CG1 4.5Å; I254-V306 HydrophobicContact CG2-CG1 3.51Å; I254-V308 HydrophobicContact CG1-CG1 4.35Å; I254-V308 HydrophobicContact CG1-CG2 4.35Å |
| 255 | V | 96.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 115.1 | 175.7 | -172.8 | 0 | 0 | 0 | 0 | 109.2 | Y243 V244 L253 I278 L307 F309 L321 | Y243-V255 CarbonylContact O-C 3.52Å; Y243-V255 WeakPolarHBondContact O-CA 3.49Å; V244-V255 HydrophobicContact CG2-CG1 4.4Å; L253-V255 HydrophobicContact CG-CG2 4.39Å; V255-I278 HydrophobicContact CB-CD1 4.08Å; V255-I278 HydrophobicContact CG1-CD1 3.57Å; V255-L307 PolarHBondContact N-O 3.13Å; V255-L307 PolarHBondContact O-N 2.97Å; V255-F309 HydrophobicContact CG2-CD2 4.36Å; V255-F309 HydrophobicContact CG2-CE2 4.35Å; V255-L321 HydrophobicContact CG2-CD1 3.58Å |
| 256 | T | 94.1 | Very high | 89.3 | Confident | 36 Ų | 36 | 42 Ų | 42 | 22% | 0.221 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 117.6 | 171.4 | -50.6 | 0 | 0 | 0 | 0 | 108.9 | Y243 G258 E305 V306 | Y243-T256 HydrophobicContact CD2-CG2 4.23Å; Y243-T256 PolarHBondContact N-O 3.46Å; Y243-T256 PolarHBondContact O-N 3.31Å; T256-G258 PolarHBondContact O-N 3.26Å; T256-E305 CarbonylContact C-O 3.56Å; T256-E305 WeakPolarHBondContact CA-O 3.39Å; T256-V306 HydrophobicContact CG2-CG2 4.15Å |
| 257 | V | 95 | Very high | 88.7 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 107.3 | 169.6 | -174.9 | 0 | 0 | 0 | 0 | 107.1 | I240 L242 V276 I278 T292 Y303 N304 E305 L307 | I240-V257 HydrophobicContact CD1-CG1 4.24Å; L242-V257 HydrophobicContact CD2-CB 4.43Å; L242-V257 HydrophobicContact CD2-CG1 4.34Å; L242-V257 HydrophobicContact CD2-CG2 4.12Å; V257-V276 HydrophobicContact CG1-CB 4.15Å; V257-V276 HydrophobicContact CG1-CG1 4.42Å; V257-V276 HydrophobicContact CG1-CG2 3.78Å; V257-V276 HydrophobicContact CG2-CB 4.44Å; V257-V276 HydrophobicContact CG2-CG1 4.27Å; V257-I278 HydrophobicContact CG2-CD1 3.93Å; V257-T292 HydrophobicContact CB-CG2 3.87Å; V257-T292 HydrophobicContact CG1-CG2 4.1Å; V257-T292 HydrophobicContact CG2-CG2 3.69Å; V257-Y303 HydrophobicContact CG1-CD2 3.55Å; V257-Y303 HydrophobicContact CG1-CE2 4.21Å; V257-Y303 HydrophobicContact CG1-CG 3.84Å; V257-Y303 WeakPolarHBondContact O-CB 3.27Å; V257-N304 VanDerWaalsContact O-CA 3.28Å; V257-N304 WeakPolarHBondContact O-CA 3.45Å; V257-N304 PolarHBondContact O-N 3.03Å; V257-E305 PolarHBondContact N-O 3.16Å; V257-E305 PolarHBondContact O-N 3.4Å; V257-L307 HydrophobicContact CG2-CD1 4.3Å |
| 258 | G | 87.5 | Confident | 87.9 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | -74.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | L241 T256 Y303 N304 | L241-G258 PolarHBondContact O-N 3.26Å; T256-G258 PolarHBondContact O-N 3.26Å; G258-Y303 PolarHBondContact O-N 3.22Å; G258-N304 PolarHBondContact O-N 3.11Å; G258-N304 PolarHBondContact O-OD1 2.94Å |
| 259 | R | 86.1 | Confident | 87.2 | Confident | 27 Ų | 27 | 52.8 Ų | 52.8 | 10% | 0.102 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | 163 | -175 | 59.2 | -171.7 | -178.8 | 163.4 | 9.1 | 111 | S185 L241 P301 V302 W381 | S185-R259 PolarHBondContact O-NH1 2.9Å; S185-R259 PolarHBondContact O-NH2 3.26Å; L241-R259 HydrophobicContact CB-CG 4.07Å; L241-R259 HydrophobicContact CD2-CG 4.2Å; L241-R259 PolarHBondContact N-O 3.13Å; R259-P301 CarbonylContact C-O 3.52Å; R259-P301 WeakPolarHBondContact CA-O 3.42Å; R259-P301 WeakPolarHBondContact CB-O 3.23Å; R259-V302 HydrophobicContact CB-CB 4.4Å; R259-V302 HydrophobicContact CB-CG2 4.12Å; R259-W381 HydrophobicContact CG-CH2 3.84Å; R259-W381 HydrophobicContact CG-CZ2 4.37Å |
| 260 | A | 86.6 | Confident | 86.4 | Confident | 3 Ų | 3 | 46.2 Ų | 46.2 | 3% | 0.025 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 161.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | D239 I240 L263 H300 P301 Y303 | D239-A260 CarbonylContact O-C 3.47Å; D239-A260 WeakPolarHBondContact O-CA 3.32Å; D239-A260 WeakPolarHBondContact O-CB 3.16Å; I240-A260 HydrophobicContact CB-CB 4.4Å; I240-A260 HydrophobicContact CG1-CB 4.36Å; A260-L263 HydrophobicContact CB-CD1 3.95Å; A260-L263 HydrophobicContact CB-CD2 3.93Å; A260-L263 HydrophobicContact CB-CG 4.05Å; A260-H300 CarbonylContact O-C 3.28Å; A260-H300 VanDerWaalsContact O-C 3.28Å; A260-H300 VanDerWaalsContact O-CA 3.27Å; A260-H300 WeakPolarHBondContact O-CA 3.47Å; A260-P301 HydrophobicContact CB-CG 3.84Å; A260-P301 PolarHBondContact N-O 3.02Å; A260-Y303 HydrophobicContact CB-CE2 4.43Å |
| 261 | Y | 80.1 | Confident | 85.7 | Confident | 5 Ų | 5 | 40.9 Ų | 40.9 | 2% | 0.02 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 139.3 | -175.4 | -177.8 | -90.6 | 0 | 0 | 0 | 111.1 | L150 R153 M187 G238 D239 L263 H300 | L150-Y261 HydrophobicContact CB-CE2 3.79Å; L150-Y261 HydrophobicContact CD1-CD1 4.43Å; L150-Y261 HydrophobicContact CD1-CE1 3.5Å; L150-Y261 HydrophobicContact CD1-CE2 3.84Å; L150-Y261 WeakPolarHBondContact CD1-OH 3.34Å; L150-Y261 HydrophobicContact CD2-CE2 4.06Å; L150-Y261 WeakPolarHBondContact CD2-OH 3.37Å; L150-Y261 HydrophobicContact CG-CE2 4.09Å; L150-Y261 WeakPolarHBondContact CG-OH 3.04Å; R153-Y261 PolarHBondContact NE-OH 2.8Å; R153-Y261 PolarHBondContact NH2-OH 2.74Å; M187-Y261 HydrophobicContact CE-CD1 3.47Å; M187-Y261 VanDerWaalsContact CE-CD1 3.47Å; M187-Y261 HydrophobicContact CE-CD2 3.62Å; M187-Y261 HydrophobicContact CE-CE1 4.14Å; M187-Y261 HydrophobicContact CE-CE2 4.27Å; M187-Y261 HydrophobicContact CE-CG 3.22Å; G238-Y261 CarbonylContact C-O 3.45Å; G238-Y261 WeakPolarHBondContact CA-O 3.38Å; D239-Y261 PolarHBondContact N-O 3.26Å; D239-Y261 PolarHBondContact O-N 2.9Å; Y261-L263 VanDerWaalsContact C-N 3.29Å; Y261-L263 PolarHBondContact O-N 2.73Å; Y261-H300 AromaticContact CD2-CE1 3.67Å; Y261-H300 AromaticContact CD2-ND1 3Å; Y261-H300 WeakPolarHBondContact CD2-ND1 3.28Å; Y261-H300 AromaticContact CE2-CE1 3.36Å; Y261-H300 WeakPolarHBondContact CE2-CE1 3.38Å; Y261-H300 AromaticContact CE2-ND1 3.14Å; Y261-H300 WeakPolarHBondContact CE2-ND1 3.27Å; Y261-H300 AromaticContact CG-ND1 3.59Å; Y261-H300 AromaticContact CZ-CE1 3.6Å; Y261-H300 AromaticContact CZ-ND1 3.83Å |
| 262 | N | 78.4 | Confident | 85.5 | Confident | 37 Ų | 37 | 37.3 Ų | 37.3 | 20% | 0.198 | 21% | 0.211 | C | C | . | . | S | Bend | trans | 58.5 | 39.9 | 177.2 | -153.1 | 49 | 0 | 0 | 0 | 113.1 | R153 D236 G238 L299 H300 | R153-N262 PolarHBondContact NH2-OD1 3.07Å; D236-N262 PolarHBondContact OD2-ND2 2.65Å; G238-N262 VanDerWaalsContact CA-O 3.27Å; G238-N262 WeakPolarHBondContact CA-O 3.24Å; N262-L299 PolarHBondContact N-O 2.86Å; N262-L299 VanDerWaalsContact N-O 3.16Å; N262-H300 PolarHBondContact N-CE1 3.12Å; N262-H300 VanDerWaalsContact N-CE1 3.29Å; N262-H300 PolarHBondContact N-ND1 2.97Å; N262-H300 VanDerWaalsContact N-ND1 3.17Å |
| 263 | L | 85.9 | Confident | 85.4 | Confident | 3 Ų | 3 | 35.7 Ų | 35.7 | 2% | 0.016 | 21% | 0.205 | C | C | . | . | P | Polyproline II helix | trans | -63.5 | 153.9 | 172.6 | -59.7 | -179.4 | 0 | 0 | 0 | 110 | A260 Y261 P274 L299 P301 V325 L337 L384 | A260-L263 HydrophobicContact CB-CD1 3.95Å; A260-L263 HydrophobicContact CB-CD2 3.93Å; A260-L263 HydrophobicContact CB-CG 4.05Å; Y261-L263 VanDerWaalsContact C-N 3.29Å; Y261-L263 PolarHBondContact O-N 2.73Å; L263-P274 HydrophobicContact CD1-CB 3.54Å; L263-P274 HydrophobicContact CD1-CG 3.79Å; L263-L299 HydrophobicContact CB-CB 4.47Å; L263-L299 HydrophobicContact CB-CD2 4.34Å; L263-L299 PolarHBondContact N-O 2.86Å; L263-L299 WeakPolarHBondContact O-CD2 3.46Å; L263-P301 HydrophobicContact CD1-CG 3.74Å; L263-V325 HydrophobicContact CD1-CG1 3.88Å; L263-V325 HydrophobicContact CD2-CG1 3.96Å; L263-L337 HydrophobicContact CD1-CD1 4.23Å; L263-L384 HydrophobicContact CD2-CD1 3.67Å |
| 264 | R | 83.6 | Confident | 85.5 | Confident | 45 Ų | 45 | 35.7 Ų | 35.7 | 17% | 0.17 | 21% | 0.205 | C | C | . | . | P | Polyproline II helix | trans | -73.9 | 141.7 | 177.1 | -66.3 | -176.7 | 177.8 | -162.6 | -0.1 | 110.8 | K233 K234 D235 D236 Y237 S272 L337 | K233-R264 PolarHBondContact O-NH2 2.99Å; K234-R264 PolarHBondContact O-NH1 2.82Å; K234-R264 PolarHBondContact O-NH2 3.14Å; D235-R264 VanDerWaalsContact N-NH2 3.17Å; D236-R264 VanDerWaalsContact O-CZ 3.28Å; D236-R264 PolarHBondContact O-NE 2.65Å; D236-R264 PolarHBondContact O-NH2 2.97Å; Y237-R264 PolarHBondContact OH-NH1 3.1Å; R264-S272 PolarHBondContact O-OG 3.16Å; R264-L337 HydrophobicContact CB-CD2 4.33Å; R264-L337 VanDerWaalsContact O-CD2 3.3Å; R264-L337 WeakPolarHBondContact O-CD2 3.37Å |
| 265 | P | 83.9 | Confident | 85.7 | Confident | 72 Ų | 72 | 34.6 Ų | 34.6 | 47% | 0.468 | 20% | 0.199 | S | C | . | . | P | Polyproline II helix | trans | -73.5 | 124.7 | 164.1 | 31.7 | -31.9 | 0 | 0 | 0 | 109.6 | G270 A271 S272 L299 | P265-G270 VanDerWaalsContact CB-C 3.44Å; P265-G270 VanDerWaalsContact CB-O 3.31Å; P265-G270 WeakPolarHBondContact CB-O 3.34Å; P265-A271 WeakPolarHBondContact CA-O 3.31Å; P265-S272 WeakPolarHBondContact CA-OG 3.46Å; P265-L299 HydrophobicContact CB-CD1 4.32Å; P265-L299 HydrophobicContact CB-CD2 4.47Å |
| 266 | M | 84.5 | Confident | 85.8 | Confident | 82 Ų | 82 | 34.6 Ų | 34.6 | 40% | 0.404 | 20% | 0.199 | S | C | . | . | trans | -115.4 | -26 | 177.5 | -71.4 | -60.2 | -64.1 | 0 | 0 | 111.6 | A271 S272 D327 D335 L337 | M266-A271 PolarHBondContact N-O 3.35Å; M266-A271 VanDerWaalsContact N-O 3.12Å; M266-S272 PolarHBondContact N-OG 2.74Å; M266-D327 HydrophobicContact CB-CB 4.31Å; M266-D327 WeakPolarHBondContact CB-OD2 3.33Å; M266-D335 HydrophobicContact CE-CB 3.91Å; M266-D335 WeakPolarHBondContact CE-OD2 3.45Å; M266-L337 HydrophobicContact CB-CD2 4.2Å; M266-L337 HydrophobicContact CG-CD2 3.28Å | ||
| 267 | D | 78.5 | Confident | 86 | Confident | 38 Ų | 38 | 35.3 Ų | 35.3 | 20% | 0.203 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -74.7 | 151.5 | 172.9 | -74 | -48.4 | 0 | 0 | 0 | 113 | T269 G270 A271 | D267-T269 WeakPolarHBondContact CB-OG1 3.47Å; D267-T269 PolarHBondContact O-N 3.26Å; D267-G270 PolarHBondContact O-N 2.82Å; D267-A271 WeakPolarHBondContact CB-O 3.45Å; D267-A271 PolarHBondContact N-O 3.1Å |
| 268 | I | 74.3 | Confident | 86.1 | Confident | 178 Ų | 178 | 35.3 Ų | 35.3 | 91% | 0.913 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -20.4 | 171.1 | -165.9 | 168.9 | 0 | 0 | 0 | 113.3 | G270 | I268-G270 PolarHBondContact O-N 2.99Š|
| 269 | T | 74.1 | Confident | 86.6 | Confident | 103 Ų | 103 | 35.3 Ų | 35.3 | 63% | 0.632 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -13.6 | 177.3 | 62.4 | 0 | 0 | 0 | 0 | 112.9 | D267 A271 | D267-T269 WeakPolarHBondContact CB-OG1 3.47Å; D267-T269 PolarHBondContact O-N 3.26Å; T269-A271 PolarHBondContact OG1-N 3.2Å |
| 270 | G | 73.4 | Confident | 87.1 | Confident | 51 Ų | 51 | 34.4 Ų | 34.4 | 53% | 0.526 | 20% | 0.196 | S | C | . | . | S | Bend | trans | 82.3 | 15 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | P265 D267 I268 | P265-G270 VanDerWaalsContact CB-C 3.44Å; P265-G270 VanDerWaalsContact CB-O 3.31Å; P265-G270 WeakPolarHBondContact CB-O 3.34Å; D267-G270 PolarHBondContact O-N 2.82Å; I268-G270 PolarHBondContact O-N 2.99Å |
| 271 | A | 79.3 | Confident | 87.6 | Confident | 15 Ų | 15 | 34.2 Ų | 34.2 | 12% | 0.124 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -128.6 | -165 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | P265 M266 D267 T269 A297 | P265-A271 WeakPolarHBondContact CA-O 3.31Å; M266-A271 PolarHBondContact N-O 3.35Å; M266-A271 VanDerWaalsContact N-O 3.12Å; D267-A271 WeakPolarHBondContact CB-O 3.45Å; D267-A271 PolarHBondContact N-O 3.1Å; T269-A271 PolarHBondContact OG1-N 3.2Å; A271-A297 HydrophobicContact CB-CB 4.01Å |
| 272 | S | 89.7 | Confident | 88.3 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -145 | 159.1 | 170.2 | -59 | 0 | 0 | 0 | 0 | 108 | R264 P265 M266 P274 A297 N298 D327 | R264-S272 PolarHBondContact O-OG 3.16Å; P265-S272 WeakPolarHBondContact CA-OG 3.46Å; M266-S272 PolarHBondContact N-OG 2.74Å; S272-P274 WeakPolarHBondContact O-CD 3.28Å; S272-A297 CarbonylContact O-C 3.54Å; S272-A297 VanDerWaalsContact O-CA 3.23Å; S272-A297 WeakPolarHBondContact O-CA 3.35Å; S272-A297 PolarHBondContact O-N 3.32Å; S272-N298 PolarHBondContact O-N 2.94Å; S272-D327 WeakPolarHBondContact CB-OD1 3.48Å | ||
| 273 | D | 92.5 | Very high | 88.9 | Confident | 23 Ų | 23 | 40.8 Ų | 40.8 | 12% | 0.123 | 22% | 0.221 | C | C | . | . | trans | -102.3 | 67.2 | 172.4 | -72.3 | -19.4 | 0 | 0 | 0 | 110.8 | I294 K295 R296 A297 D327 W328 | D273-I294 HydrophobicContact CB-CG2 3.99Å; D273-I294 WeakPolarHBondContact O-CG2 3.4Å; D273-K295 CarbonylContact C-O 3.51Å; D273-K295 VanDerWaalsContact CA-O 3.32Å; D273-K295 WeakPolarHBondContact CA-O 3.31Å; D273-R296 WeakPolarHBondContact OD1-CA 3.15Å; D273-A297 PolarHBondContact OD1-N 2.84Å; D273-D327 WeakPolarHBondContact CA-OD1 3.34Å; D273-D327 PolarHBondContact N-OD1 3.32Å; D273-W328 HydrophobicContact CB-CB 4.11Å; D273-W328 HydrophobicContact CB-CE3 4.41Å; D273-W328 WeakPolarHBondContact O-CB 3.49Å; D273-W328 PolarHBondContact O-N 3.14Å | ||
| 274 | P | 97 | Very high | 89 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 145.8 | -167.4 | 30.9 | -42.7 | 0 | 0 | 0 | 114.8 | L263 S272 K295 N298 P301 Y303 V325 M326 L337 | L263-P274 HydrophobicContact CD1-CB 3.54Å; L263-P274 HydrophobicContact CD1-CG 3.79Å; S272-P274 WeakPolarHBondContact O-CD 3.28Å; P274-K295 WeakPolarHBondContact CD-O 3.48Å; P274-K295 HydrophobicContact CG-CB 4.43Å; P274-K295 PolarHBondContact O-N 3Å; P274-N298 WeakPolarHBondContact CD-O 3.39Å; P274-N298 WeakPolarHBondContact CG-O 3.34Å; P274-P301 HydrophobicContact CB-CG 4.27Å; P274-P301 HydrophobicContact CG-CB 3.9Å; P274-P301 HydrophobicContact CG-CG 3.63Å; P274-Y303 WeakPolarHBondContact CB-OH 3.34Å; P274-Y303 PolarHBondContact O-OH 2.95Å; P274-V325 HydrophobicContact CB-CG1 4.31Å; P274-M326 CarbonylContact C-O 3.55Å; P274-M326 WeakPolarHBondContact CA-O 3.44Å; P274-L337 HydrophobicContact CB-CD1 3.88Å |
| 275 | Y | 98.2 | Very high | 89.5 | Confident | 7 Ų | 7 | 51.2 Ų | 51.2 | 3% | 0.027 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 159.1 | 163.2 | 74.9 | -85.9 | 0 | 0 | 0 | 110.9 | K277 K291 I294 M326 W328 D334 | Y275-K277 HydrophobicContact CE2-CB 4.06Å; Y275-K291 HydrophobicContact CD2-CB 4.29Å; Y275-K291 HydrophobicContact CD2-CD 4.03Å; Y275-K291 HydrophobicContact CD2-CG 4.27Å; Y275-K291 HydrophobicContact CE2-CD 3.51Å; Y275-K291 HydrophobicContact CE2-CG 4.02Å; Y275-K291 PolarHBondContact OH-NZ 2.8Å; Y275-I294 HydrophobicContact CD1-CG1 4.08Å; Y275-I294 HydrophobicContact CG-CG1 4.16Å; Y275-M326 HydrophobicContact CD1-CB 3.81Å; Y275-M326 HydrophobicContact CD2-CB 4.34Å; Y275-M326 HydrophobicContact CE1-CB 3.33Å; Y275-M326 HydrophobicContact CE1-CG 4.18Å; Y275-M326 HydrophobicContact CE2-CB 3.88Å; Y275-M326 HydrophobicContact CE2-CG 3.89Å; Y275-M326 HydrophobicContact CG-CB 4.31Å; Y275-M326 PolarHBondContact N-O 2.93Å; Y275-M326 PolarHBondContact O-N 2.88Å; Y275-W328 HydrophobicContact CD1-CB 4.04Å; Y275-W328 HydrophobicContact CE1-CB 4.19Å; Y275-D334 HydrophobicContact CE1-CB 4.38Å; Y275-D334 VanDerWaalsContact CE1-OD2 3.23Å; Y275-D334 WeakPolarHBondContact CE1-OD2 3.41Å; Y275-D334 VanDerWaalsContact CZ-OD2 3.24Å; Y275-D334 PolarHBondContact OH-OD2 2.86Å |
| 276 | V | 98.6 | Very high | 90 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 124.9 | -178.5 | -175.1 | 0 | 0 | 0 | 0 | 110 | I240 V257 I278 K291 T292 Y303 I323 K324 V325 | I240-V276 HydrophobicContact CD1-CB 4.5Å; I240-V276 HydrophobicContact CD1-CG1 3.96Å; I240-V276 HydrophobicContact CD1-CG2 3.69Å; V257-V276 HydrophobicContact CG1-CB 4.15Å; V257-V276 HydrophobicContact CG1-CG1 4.42Å; V257-V276 HydrophobicContact CG1-CG2 3.78Å; V257-V276 HydrophobicContact CG2-CB 4.44Å; V257-V276 HydrophobicContact CG2-CG1 4.27Å; V276-I278 HydrophobicContact CG1-CG1 4.09Å; V276-K291 CarbonylContact O-C 3.59Å; V276-K291 WeakPolarHBondContact O-CA 3.32Å; V276-T292 HydrophobicContact CB-CG2 3.93Å; V276-T292 PolarHBondContact N-OG1 3.31Å; V276-T292 PolarHBondContact O-N 2.79Å; V276-Y303 HydrophobicContact CG2-CD2 4.38Å; V276-Y303 HydrophobicContact CG2-CE1 4.31Å; V276-Y303 HydrophobicContact CG2-CE2 3.76Å; V276-I323 HydrophobicContact CG1-CG2 3.47Å; V276-I323 VanDerWaalsContact CG1-CG2 3.47Å; V276-K324 CarbonylContact C-O 3.5Å; V276-K324 WeakPolarHBondContact CA-O 3.11Å; V276-V325 HydrophobicContact CG2-CG2 4.34Å |
| 277 | K | 98.2 | Very high | 90.5 | Very high | 52 Ų | 52 | 55.1 Ų | 55.1 | 23% | 0.226 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 114.2 | 175.1 | -176.3 | -178.3 | -177.5 | -179.5 | 0 | 109.7 | Y275 I279 T289 K291 K324 M326 | Y275-K277 HydrophobicContact CE2-CB 4.06Å; K277-I279 HydrophobicContact CG-CG1 4.33Å; K277-T289 HydrophobicContact CD-CG2 4.28Å; K277-T289 HydrophobicContact CG-CG2 3.74Å; K277-K291 HydrophobicContact CB-CG 4.13Å; K277-K291 HydrophobicContact CG-CG 4.03Å; K277-K324 HydrophobicContact CB-CB 4.38Å; K277-K324 PolarHBondContact N-O 2.89Å; K277-K324 PolarHBondContact O-N 2.84Å; K277-M326 HydrophobicContact CB-CG 4.24Å |
| 278 | I | 98.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 124.1 | 178.1 | -54.6 | -172.5 | 0 | 0 | 0 | 109.5 | V255 V257 V276 T289 K290 L307 F309 L321 I323 | V255-I278 HydrophobicContact CB-CD1 4.08Å; V255-I278 HydrophobicContact CG1-CD1 3.57Å; V257-I278 HydrophobicContact CG2-CD1 3.93Å; V276-I278 HydrophobicContact CG1-CG1 4.09Å; I278-T289 VanDerWaalsContact O-CA 3.31Å; I278-T289 WeakPolarHBondContact O-CA 3.49Å; I278-K290 PolarHBondContact N-O 2.81Å; I278-K290 PolarHBondContact O-N 2.88Å; I278-L307 HydrophobicContact CD1-CD1 3.84Å; I278-L307 HydrophobicContact CG1-CD1 4.11Å; I278-F309 HydrophobicContact CB-CE2 4.3Å; I278-F309 HydrophobicContact CB-CZ 3.8Å; I278-F309 HydrophobicContact CG2-CE1 4.45Å; I278-F309 HydrophobicContact CG2-CE2 3.85Å; I278-F309 HydrophobicContact CG2-CZ 3.55Å; I278-L321 HydrophobicContact CG2-CB 4.46Å; I278-L321 HydrophobicContact CG2-CD1 4.48Å; I278-L321 HydrophobicContact CG2-CD2 4.14Å; I278-I323 HydrophobicContact CD1-CG1 4.4Å; I278-I323 HydrophobicContact CG1-CG1 4.17Å; I278-I323 HydrophobicContact CG1-CG2 4.29Å; I278-I323 HydrophobicContact CG2-CG1 4.36Å |
| 279 | I | 97.5 | Very high | 92.5 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 117.7 | -179.8 | -53 | 170.9 | 0 | 0 | 0 | 108.3 | K277 L281 R286 K288 T289 L321 L322 K324 | K277-I279 HydrophobicContact CG-CG1 4.33Å; I279-L281 HydrophobicContact CG2-CD2 3.75Å; I279-L281 HydrophobicContact CG2-CG 4.32Å; I279-R286 HydrophobicContact CG2-CB 4.33Å; I279-R286 HydrophobicContact CG2-CG 3.8Å; I279-K288 WeakPolarHBondContact CA-O 3.43Å; I279-T289 HydrophobicContact CG1-CG2 4.08Å; I279-L321 WeakPolarHBondContact O-CA 3.41Å; I279-L322 HydrophobicContact CB-CB 4.3Å; I279-L322 HydrophobicContact CD1-CD2 4.26Å; I279-L322 PolarHBondContact N-O 2.93Å; I279-L322 PolarHBondContact O-N 3.45Å; I279-K324 HydrophobicContact CD1-CD 4.45Å |
| 280 | Q | 97.3 | Very high | 93.6 | Very high | 7 Ų | 7 | 50.3 Ų | 50.3 | 3% | 0.033 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 123.9 | 171.8 | -176.7 | -175.6 | 17 | 0 | 0 | 109.5 | I287 K288 F309 D310 T319 L321 | Q280-I287 HydrophobicContact CG-CB 4.34Å; Q280-I287 PolarHBondContact O-N 3.21Å; Q280-K288 HydrophobicContact CB-CB 4.37Å; Q280-K288 PolarHBondContact N-O 2.77Å; Q280-F309 HydrophobicContact CB-CD1 3.93Å; Q280-F309 HydrophobicContact CB-CE1 4.22Å; Q280-D310 PolarHBondContact NE2-O 2.89Å; Q280-T319 HydrophobicContact CG-CG2 4.08Å; Q280-L321 HydrophobicContact CB-CD2 4.22Å; Q280-L321 HydrophobicContact CG-CD2 4.45Å |
| 281 | L | 96.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 121.4 | 179.9 | -57.4 | 175.3 | 0 | 0 | 0 | 108.8 | I279 R285 R286 T319 N320 L322 F392 C395 | I279-L281 HydrophobicContact CG2-CD2 3.75Å; I279-L281 HydrophobicContact CG2-CG 4.32Å; L281-R285 CarbonylContact C-O 3.53Å; L281-R285 VanDerWaalsContact CA-O 3.28Å; L281-R285 WeakPolarHBondContact CA-O 3.26Å; L281-R286 HydrophobicContact CD2-CB 4.07Å; L281-T319 CarbonylContact O-C 3.52Å; L281-T319 VanDerWaalsContact O-CA 3.27Å; L281-T319 WeakPolarHBondContact O-CA 3.31Å; L281-N320 HydrophobicContact CB-CB 4.43Å; L281-N320 PolarHBondContact N-O 2.7Å; L281-N320 PolarHBondContact O-N 3.47Å; L281-L322 HydrophobicContact CD1-CB 3.98Å; L281-F392 HydrophobicContact CD1-CD1 3.58Å; L281-F392 HydrophobicContact CD1-CE1 4.12Å; L281-C395 HydrophobicContact CD1-CB 4.18Å; L281-C395 HydrophobicContact CD2-CB 3.97Å |
| 282 | Y | 94.8 | Very high | 95.7 | Very high | 72 Ų | 72 | 52.5 Ų | 52.5 | 28% | 0.282 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 123 | 171 | 173.9 | -110.2 | 0 | 0 | 0 | 108.4 | H284 R285 A315 D318 | Y282-H284 PolarHBondContact O-N 2.79Å; Y282-R285 PolarHBondContact N-O 3.36Å; Y282-R285 WeakPolarHBondContact O-CB 3.47Å; Y282-R285 PolarHBondContact O-N 2.85Å; Y282-A315 HydrophobicContact CD2-CB 3.86Å; Y282-A315 HydrophobicContact CE2-CB 3.62Å; Y282-D318 HydrophobicContact CD2-CB 3.99Å; Y282-D318 HydrophobicContact CE2-CB 3.7Å |
| 283 | Q | 92.1 | Very high | 96.1 | Very high | 107 Ų | 107 | 54.7 Ų | 54.7 | 50% | 0.5 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.7 | 48 | -175 | -62.9 | 179.7 | -16.4 | 0 | 0 | 111.6 | R285 D318 | Q283-R285 PolarHBondContact O-N 3.47Å; Q283-R285 VanDerWaalsContact O-N 3.09Å; Q283-D318 HydrophobicContact CG-CB 3.65Å; Q283-D318 PolarHBondContact N-O 3.2Å; Q283-D318 PolarHBondContact NE2-OD2 3.21Å; Q283-D318 VanDerWaalsContact NE2-OD2 3.16Å |
| 284 | H | 87.7 | Confident | 96.3 | Very high | 75 Ų | 75 | 57 Ų | 57 | 35% | 0.347 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | 15.3 | -179.8 | -63.9 | 81.3 | 0 | 0 | 0 | 114.7 | Y282 D345 C395 | Y282-H284 PolarHBondContact O-N 2.79Å; H284-D345 IonicContact CE1-OD2 3.96Å; H284-C395 VanDerWaalsContact CB-SG 3.51Å; H284-C395 WeakPolarHBondContact O-CB 3.31Å; H284-C395 PolarHBondContact O-SG 3.43Å |
| 285 | R | 92.7 | Very high | 96.1 | Very high | 193 Ų | 193 | 59.6 Ų | 59.6 | 73% | 0.728 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 133.9 | 173.4 | -64.1 | -176.7 | 176.5 | -168.7 | -0.3 | 111.1 | L281 Y282 Q283 I287 | L281-R285 CarbonylContact C-O 3.53Å; L281-R285 VanDerWaalsContact CA-O 3.28Å; L281-R285 WeakPolarHBondContact CA-O 3.26Å; Y282-R285 PolarHBondContact N-O 3.36Å; Y282-R285 WeakPolarHBondContact O-CB 3.47Å; Y282-R285 PolarHBondContact O-N 2.85Å; Q283-R285 PolarHBondContact O-N 3.47Å; Q283-R285 VanDerWaalsContact O-N 3.09Å; R285-I287 PolarHBondContact O-N 2.79Å |
| 286 | R | 94.6 | Very high | 95.7 | Very high | 137 Ų | 137 | 68.5 Ų | 68.5 | 52% | 0.517 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 122.3 | 176.6 | 172.6 | 175.1 | 153.4 | -155.8 | -11 | 111.2 | I279 L281 T289 | I279-R286 HydrophobicContact CG2-CB 4.33Å; I279-R286 HydrophobicContact CG2-CG 3.8Å; L281-R286 HydrophobicContact CD2-CB 4.07Å; R286-T289 PolarHBondContact NE-OG1 3.17Å |
| 287 | I | 95.3 | Very high | 95.1 | Very high | 98 Ų | 98 | 71.6 Ų | 71.6 | 50% | 0.503 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | -54 | 178.2 | -57.2 | -53.8 | 0 | 0 | 0 | 110.8 | Q280 R285 | Q280-I287 HydrophobicContact CG-CB 4.34Å; Q280-I287 PolarHBondContact O-N 3.21Å; R285-I287 PolarHBondContact O-N 2.79Å |
| 288 | K | 96.5 | Very high | 94.3 | Very high | 108 Ų | 108 | 71.8 Ų | 71.8 | 47% | 0.47 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 153.1 | -175.4 | -165.4 | 70.7 | 176 | -166.3 | 0 | 110.8 | I279 Q280 F309 | I279-K288 WeakPolarHBondContact CA-O 3.43Å; Q280-K288 HydrophobicContact CB-CB 4.37Å; Q280-K288 PolarHBondContact N-O 2.77Å; K288-F309 HydrophobicContact CB-CD1 4.07Å; K288-F309 HydrophobicContact CB-CE1 4.33Å; K288-F309 HydrophobicContact CG-CD1 4.14Å; K288-F309 HydrophobicContact CG-CE1 4.31Å |
| 289 | T | 97.6 | Very high | 93.6 | Very high | 36 Ų | 36 | 73.7 Ų | 73.7 | 22% | 0.221 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 134.7 | 172 | -57 | 0 | 0 | 0 | 0 | 109.1 | K277 I278 I279 R286 | K277-T289 HydrophobicContact CD-CG2 4.28Å; K277-T289 HydrophobicContact CG-CG2 3.74Å; I278-T289 VanDerWaalsContact O-CA 3.31Å; I278-T289 WeakPolarHBondContact O-CA 3.49Å; I279-T289 HydrophobicContact CG1-CG2 4.08Å; R286-T289 PolarHBondContact NE-OG1 3.17Å |
| 290 | K | 98.5 | Very high | 92.7 | Very high | 74 Ų | 74 | 76 Ų | 76 | 32% | 0.322 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 158.2 | 170.7 | -65.8 | -168.1 | 166.1 | -161.8 | 0 | 109.7 | I278 L307 V308 F309 | I278-K290 PolarHBondContact N-O 2.81Å; I278-K290 PolarHBondContact O-N 2.88Å; K290-L307 HydrophobicContact CB-CB 4.37Å; K290-L307 HydrophobicContact CB-CD1 4.13Å; K290-L307 HydrophobicContact CB-CD2 4.28Å; K290-L307 HydrophobicContact CD-CB 4.34Å; K290-V308 WeakPolarHBondContact CD-O 3.41Å; K290-V308 WeakPolarHBondContact CE-O 3.22Å; K290-V308 PolarHBondContact NZ-O 2.79Å; K290-F309 HydrophobicContact CB-CE1 4.15Å; K290-F309 HydrophobicContact CB-CE2 4.48Å; K290-F309 HydrophobicContact CB-CZ 3.72Å; K290-F309 HydrophobicContact CD-CE1 4.27Å; K290-F309 HydrophobicContact CD-CE2 4.37Å; K290-F309 HydrophobicContact CD-CZ 4.13Å; K290-F309 HydrophobicContact CG-CE1 3.89Å; K290-F309 HydrophobicContact CG-CZ 3.89Å |
| 291 | K | 98.4 | Very high | 92.2 | Very high | 100 Ų | 100 | 75.7 Ų | 75.7 | 44% | 0.435 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 152.1 | -179 | -64.5 | -178.3 | 174.4 | -159.6 | 0 | 110.4 | Y275 V276 K277 | Y275-K291 HydrophobicContact CD2-CB 4.29Å; Y275-K291 HydrophobicContact CD2-CD 4.03Å; Y275-K291 HydrophobicContact CD2-CG 4.27Å; Y275-K291 HydrophobicContact CE2-CD 3.51Å; Y275-K291 HydrophobicContact CE2-CG 4.02Å; Y275-K291 PolarHBondContact OH-NZ 2.8Å; V276-K291 CarbonylContact O-C 3.59Å; V276-K291 WeakPolarHBondContact O-CA 3.32Å; K277-K291 HydrophobicContact CB-CG 4.13Å; K277-K291 HydrophobicContact CG-CG 4.03Å |
| 292 | T | 98.6 | Very high | 91.7 | Very high | 13 Ų | 13 | 79.2 Ų | 79.2 | 8% | 0.08 | 37% | 0.371 | C | S | . | . | trans | -82 | 176.4 | 168.2 | 63.4 | 0 | 0 | 0 | 0 | 111.7 | V257 V276 Y303 E305 L307 | V257-T292 HydrophobicContact CB-CG2 3.87Å; V257-T292 HydrophobicContact CG1-CG2 4.1Å; V257-T292 HydrophobicContact CG2-CG2 3.69Å; V276-T292 HydrophobicContact CB-CG2 3.93Å; V276-T292 PolarHBondContact N-OG1 3.31Å; V276-T292 PolarHBondContact O-N 2.79Å; T292-Y303 HydrophobicContact CG2-CD1 4.24Å; T292-Y303 WeakPolarHBondContact OG1-CE1 3.45Å; T292-E305 WeakPolarHBondContact CA-OE2 3.45Å; T292-E305 WeakPolarHBondContact CB-OE2 3.19Å; T292-E305 HydrophobicContact CG2-CB 4.22Å; T292-L307 HydrophobicContact CG2-CD1 4.11Å | ||
| 293 | S | 97.6 | Very high | 91.4 | Very high | 46 Ų | 46 | 76.3 Ų | 76.3 | 32% | 0.322 | 36% | 0.36 | S | S | . | . | trans | -61.6 | 155.8 | 161.1 | 73.1 | 0 | 0 | 0 | 0 | 111.6 | K295 E305 | S293-K295 WeakPolarHBondContact OG-CE 3.35Å; S293-K295 PolarHBondContact OG-NZ 2.84Å; S293-E305 VanDerWaalsContact CB-OE1 3.25Å; S293-E305 WeakPolarHBondContact CB-OE1 3.35Å; S293-E305 VanDerWaalsContact N-CD 3.33Å; S293-E305 PolarHBondContact N-OE1 3.18Å; S293-E305 PolarHBondContact N-OE2 2.89Å; S293-E305 PolarHBondContact OG-OE1 2.82Å | ||
| 294 | I | 97 | Very high | 91.3 | Very high | 70 Ų | 70 | 76.7 Ų | 76.7 | 36% | 0.359 | 37% | 0.365 | S | S | . | . | trans | -86.4 | 131.9 | 173.4 | -64.2 | 157.6 | 0 | 0 | 0 | 108.4 | D273 Y275 W328 | D273-I294 HydrophobicContact CB-CG2 3.99Å; D273-I294 WeakPolarHBondContact O-CG2 3.4Å; Y275-I294 HydrophobicContact CD1-CG1 4.08Å; Y275-I294 HydrophobicContact CG-CG1 4.16Å; I294-W328 HydrophobicContact CD1-CB 3.94Å; I294-W328 HydrophobicContact CD1-CD2 4.04Å; I294-W328 HydrophobicContact CD1-CG 3.54Å; I294-W328 HydrophobicContact CG1-CB 4.13Å; I294-W328 HydrophobicContact CG1-CG 4.28Å; I294-W328 HydrophobicContact CG2-CB 3.97Å; I294-W328 HydrophobicContact CG2-CG 4.44Å | ||
| 295 | K | 92.4 | Very high | 91.7 | Very high | 55 Ų | 55 | 75.2 Ų | 75.2 | 24% | 0.239 | 36% | 0.358 | C | S | . | . | trans | -105.5 | 113.2 | 174.3 | -56.4 | -58.7 | 178.8 | 178.6 | 0 | 108.6 | D273 P274 S293 N298 P301 V302 Y303 E305 | D273-K295 CarbonylContact C-O 3.51Å; D273-K295 VanDerWaalsContact CA-O 3.32Å; D273-K295 WeakPolarHBondContact CA-O 3.31Å; P274-K295 WeakPolarHBondContact CD-O 3.48Å; P274-K295 HydrophobicContact CG-CB 4.43Å; P274-K295 PolarHBondContact O-N 3Å; S293-K295 WeakPolarHBondContact OG-CE 3.35Å; S293-K295 PolarHBondContact OG-NZ 2.84Å; K295-N298 HydrophobicContact CB-CB 4.38Å; K295-P301 HydrophobicContact CB-CB 3.8Å; K295-P301 HydrophobicContact CG-CB 3.7Å; K295-V302 WeakPolarHBondContact CE-O 3.47Å; K295-V302 PolarHBondContact NZ-O 3.3Å; K295-Y303 HydrophobicContact CG-CD1 4.04Å; K295-Y303 HydrophobicContact CG-CE1 3.75Å; K295-E305 IonicContact NZ-OE1 3.12Å | ||
| 296 | R | 90.3 | Very high | 91.9 | Very high | 194 Ų | 194 | 70.1 Ų | 70.1 | 73% | 0.732 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | 140.8 | -173.4 | -67.6 | -174.9 | 176.6 | 175.2 | -0.4 | 113.3 | D273 N298 | D273-R296 WeakPolarHBondContact OD1-CA 3.15Å; R296-N298 VanDerWaalsContact C-N 3.3Å; R296-N298 PolarHBondContact O-N 2.87Å |
| 297 | A | 85.8 | Confident | 92.1 | Very high | 66 Ų | 66 | 64.3 Ų | 64.3 | 55% | 0.545 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 44 | 50.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | A271 S272 D273 | A271-A297 HydrophobicContact CB-CB 4.01Å; S272-A297 CarbonylContact O-C 3.54Å; S272-A297 VanDerWaalsContact O-CA 3.23Å; S272-A297 WeakPolarHBondContact O-CA 3.35Å; S272-A297 PolarHBondContact O-N 3.32Å; D273-A297 PolarHBondContact OD1-N 2.84Å |
| 298 | N | 81.2 | Confident | 92.2 | Very high | 56 Ų | 56 | 62.1 Ų | 62.1 | 30% | 0.299 | 32% | 0.319 | S | S | . | . | trans | -139.4 | 115.7 | -170.8 | -168 | -18.6 | 0 | 0 | 0 | 112.4 | S272 P274 K295 R296 H300 | S272-N298 PolarHBondContact O-N 2.94Å; P274-N298 WeakPolarHBondContact CD-O 3.39Å; P274-N298 WeakPolarHBondContact CG-O 3.34Å; K295-N298 HydrophobicContact CB-CB 4.38Å; R296-N298 VanDerWaalsContact C-N 3.3Å; R296-N298 PolarHBondContact O-N 2.87Å; N298-H300 WeakPolarHBondContact OD1-CA 3.49Å; N298-H300 PolarHBondContact OD1-N 2.79Å; N298-H300 PolarHBondContact OD1-O 3.34Å | ||
| 299 | L | 82.6 | Confident | 92.2 | Very high | 40 Ų | 40 | 57.1 Ų | 57.1 | 21% | 0.209 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -90.7 | -2 | 177.2 | -55.9 | -177.6 | 0 | 0 | 0 | 113.9 | N262 L263 P265 P301 | N262-L299 PolarHBondContact N-O 2.86Å; N262-L299 VanDerWaalsContact N-O 3.16Å; L263-L299 HydrophobicContact CB-CB 4.47Å; L263-L299 HydrophobicContact CB-CD2 4.34Å; L263-L299 PolarHBondContact N-O 2.86Å; L263-L299 WeakPolarHBondContact O-CD2 3.46Å; P265-L299 HydrophobicContact CB-CD1 4.32Å; P265-L299 HydrophobicContact CB-CD2 4.47Å; L299-P301 VanDerWaalsContact C-CD 3.42Å |
| 300 | H | 80.3 | Confident | 92.2 | Very high | 49 Ų | 49 | 60.4 Ų | 60.4 | 23% | 0.227 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -132 | 52.5 | 178.9 | -54.3 | -76.7 | 0 | 0 | 0 | 111.1 | R153 A260 Y261 N262 N298 V302 | R153-H300 PolarHBondContact NH2-CE1 2.81Å; A260-H300 CarbonylContact O-C 3.28Å; A260-H300 VanDerWaalsContact O-C 3.28Å; A260-H300 VanDerWaalsContact O-CA 3.27Å; A260-H300 WeakPolarHBondContact O-CA 3.47Å; Y261-H300 AromaticContact CD2-CE1 3.67Å; Y261-H300 AromaticContact CD2-ND1 3Å; Y261-H300 WeakPolarHBondContact CD2-ND1 3.28Å; Y261-H300 AromaticContact CE2-CE1 3.36Å; Y261-H300 WeakPolarHBondContact CE2-CE1 3.38Å; Y261-H300 AromaticContact CE2-ND1 3.14Å; Y261-H300 WeakPolarHBondContact CE2-ND1 3.27Å; Y261-H300 AromaticContact CG-ND1 3.59Å; Y261-H300 AromaticContact CZ-CE1 3.6Å; Y261-H300 AromaticContact CZ-ND1 3.83Å; N262-H300 PolarHBondContact N-CE1 3.12Å; N262-H300 VanDerWaalsContact N-CE1 3.29Å; N262-H300 PolarHBondContact N-ND1 2.97Å; N262-H300 VanDerWaalsContact N-ND1 3.17Å; N298-H300 WeakPolarHBondContact OD1-CA 3.49Å; N298-H300 PolarHBondContact OD1-N 2.79Å; N298-H300 PolarHBondContact OD1-O 3.34Å; H300-V302 PolarHBondContact O-N 3.12Å |
| 301 | P | 86 | Confident | 92 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 30% | 0.299 | C | S | . | . | trans | -66.5 | 133.8 | -170.7 | 29.8 | -38.1 | 0 | 0 | 0 | 111.6 | R259 A260 L263 P274 K295 L299 Y303 | R259-P301 CarbonylContact C-O 3.52Å; R259-P301 WeakPolarHBondContact CA-O 3.42Å; R259-P301 WeakPolarHBondContact CB-O 3.23Å; A260-P301 HydrophobicContact CB-CG 3.84Å; A260-P301 PolarHBondContact N-O 3.02Å; L263-P301 HydrophobicContact CD1-CG 3.74Å; P274-P301 HydrophobicContact CB-CG 4.27Å; P274-P301 HydrophobicContact CG-CB 3.9Å; P274-P301 HydrophobicContact CG-CG 3.63Å; K295-P301 HydrophobicContact CB-CB 3.8Å; K295-P301 HydrophobicContact CG-CB 3.7Å; L299-P301 VanDerWaalsContact C-CD 3.42Å; P301-Y303 HydrophobicContact CB-CD2 4.42Å; P301-Y303 HydrophobicContact CB-CE1 4.34Å; P301-Y303 HydrophobicContact CB-CE2 3.75Å; P301-Y303 HydrophobicContact CG-CE2 3.54Å; P301-Y303 WeakPolarHBondContact CG-OH 3.34Å | ||
| 302 | V | 85.7 | Confident | 91.8 | Very high | 74 Ų | 74 | 56.8 Ų | 56.8 | 45% | 0.448 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 118.4 | 166.3 | -178.5 | 0 | 0 | 0 | 0 | 108.2 | R259 K295 H300 N304 | R259-V302 HydrophobicContact CB-CB 4.4Å; R259-V302 HydrophobicContact CB-CG2 4.12Å; K295-V302 WeakPolarHBondContact CE-O 3.47Å; K295-V302 PolarHBondContact NZ-O 3.3Å; H300-V302 PolarHBondContact O-N 3.12Å; V302-N304 WeakPolarHBondContact CG1-ND2 3.33Å |
| 303 | Y | 89.6 | Confident | 91.5 | Very high | 12 Ų | 12 | 59.5 Ų | 59.5 | 5% | 0.047 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | -58.5 | -179.2 | -60.5 | -84.1 | 0 | 0 | 0 | 110.6 | V257 G258 A260 P274 V276 T292 K295 P301 E305 | V257-Y303 HydrophobicContact CG1-CD2 3.55Å; V257-Y303 HydrophobicContact CG1-CE2 4.21Å; V257-Y303 HydrophobicContact CG1-CG 3.84Å; V257-Y303 WeakPolarHBondContact O-CB 3.27Å; G258-Y303 PolarHBondContact O-N 3.22Å; A260-Y303 HydrophobicContact CB-CE2 4.43Å; P274-Y303 WeakPolarHBondContact CB-OH 3.34Å; P274-Y303 PolarHBondContact O-OH 2.95Å; V276-Y303 HydrophobicContact CG2-CD2 4.38Å; V276-Y303 HydrophobicContact CG2-CE1 4.31Å; V276-Y303 HydrophobicContact CG2-CE2 3.76Å; T292-Y303 HydrophobicContact CG2-CD1 4.24Å; T292-Y303 WeakPolarHBondContact OG1-CE1 3.45Å; K295-Y303 HydrophobicContact CG-CD1 4.04Å; K295-Y303 HydrophobicContact CG-CE1 3.75Å; P301-Y303 HydrophobicContact CB-CD2 4.42Å; P301-Y303 HydrophobicContact CB-CE1 4.34Å; P301-Y303 HydrophobicContact CB-CE2 3.75Å; P301-Y303 HydrophobicContact CG-CE2 3.54Å; P301-Y303 WeakPolarHBondContact CG-OH 3.34Å; Y303-E305 PolarHBondContact O-N 2.67Å |
| 304 | N | 89.4 | Confident | 91.2 | Very high | 114 Ų | 114 | 61.7 Ų | 61.7 | 61% | 0.61 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 50 | 41.2 | -169.2 | -62.1 | -25.5 | 0 | 0 | 0 | 112.6 | V257 G258 V302 | V257-N304 VanDerWaalsContact O-CA 3.28Å; V257-N304 WeakPolarHBondContact O-CA 3.45Å; V257-N304 PolarHBondContact O-N 3.03Å; G258-N304 PolarHBondContact O-N 3.11Å; G258-N304 PolarHBondContact O-OD1 2.94Å; V302-N304 WeakPolarHBondContact CG1-ND2 3.33Å |
| 305 | E | 96.1 | Very high | 91.1 | Very high | 45 Ų | 45 | 59 Ų | 59 | 21% | 0.21 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 137 | -175.4 | -73.2 | 178.3 | -122.7 | 0 | 0 | 111.7 | T256 V257 T292 S293 K295 Y303 | T256-E305 CarbonylContact C-O 3.56Å; T256-E305 WeakPolarHBondContact CA-O 3.39Å; V257-E305 PolarHBondContact N-O 3.16Å; V257-E305 PolarHBondContact O-N 3.4Å; T292-E305 WeakPolarHBondContact CA-OE2 3.45Å; T292-E305 WeakPolarHBondContact CB-OE2 3.19Å; T292-E305 HydrophobicContact CG2-CB 4.22Å; S293-E305 VanDerWaalsContact CB-OE1 3.25Å; S293-E305 WeakPolarHBondContact CB-OE1 3.35Å; S293-E305 VanDerWaalsContact N-CD 3.33Å; S293-E305 PolarHBondContact N-OE1 3.18Å; S293-E305 PolarHBondContact N-OE2 2.89Å; S293-E305 PolarHBondContact OG-OE1 2.82Å; K295-E305 IonicContact NZ-OE1 3.12Å; Y303-E305 PolarHBondContact O-N 2.67Å |
| 306 | V | 96.5 | Very high | 91 | Very high | 85 Ų | 85 | 57 Ų | 57 | 52% | 0.515 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 122.1 | -178.7 | -176.7 | 0 | 0 | 0 | 0 | 110.4 | I254 T256 V308 | I254-V306 HydrophobicContact CG2-CG1 3.51Å; T256-V306 HydrophobicContact CG2-CG2 4.15Å; V306-V308 HydrophobicContact CG1-CG2 4.11Å |
| 307 | L | 97.9 | Very high | 91.1 | Very high | 16 Ų | 16 | 50.7 Ų | 50.7 | 8% | 0.084 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 111.3 | 177 | -57 | -178.1 | 0 | 0 | 0 | 109.8 | V255 V257 I278 K290 T292 F309 | V255-L307 PolarHBondContact N-O 3.13Å; V255-L307 PolarHBondContact O-N 2.97Å; V257-L307 HydrophobicContact CG2-CD1 4.3Å; I278-L307 HydrophobicContact CD1-CD1 3.84Å; I278-L307 HydrophobicContact CG1-CD1 4.11Å; K290-L307 HydrophobicContact CB-CB 4.37Å; K290-L307 HydrophobicContact CB-CD1 4.13Å; K290-L307 HydrophobicContact CB-CD2 4.28Å; K290-L307 HydrophobicContact CD-CB 4.34Å; T292-L307 HydrophobicContact CG2-CD1 4.11Å; L307-F309 HydrophobicContact CB-CE2 3.97Å |
| 308 | V | 97.4 | Very high | 91.5 | Very high | 52 Ų | 52 | 50.6 Ų | 50.6 | 32% | 0.315 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 132.6 | -177.7 | -174 | 0 | 0 | 0 | 0 | 111.6 | K252 L253 I254 K290 V306 | K252-V308 HydrophobicContact CB-CG1 3.93Å; K252-V308 HydrophobicContact CD-CG1 3.91Å; K252-V308 HydrophobicContact CG-CG1 4.12Å; L253-V308 CarbonylContact O-C 3.51Å; L253-V308 WeakPolarHBondContact O-CA 3.37Å; I254-V308 HydrophobicContact CG1-CG1 4.35Å; I254-V308 HydrophobicContact CG1-CG2 4.35Å; K290-V308 WeakPolarHBondContact CD-O 3.41Å; K290-V308 WeakPolarHBondContact CE-O 3.22Å; K290-V308 PolarHBondContact NZ-O 2.79Å; V306-V308 HydrophobicContact CG1-CG2 4.11Å |
| 309 | F | 97.6 | Very high | 92.2 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.009 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 144.2 | 178.1 | -65.5 | -97.7 | 0 | 0 | 0 | 110.5 | K252 L253 V255 I278 Q280 K288 K290 L307 L311 | K252-F309 CarbonylContact C-O 3.56Å; K252-F309 WeakPolarHBondContact CA-O 3.38Å; L253-F309 HydrophobicContact CB-CB 4.29Å; L253-F309 PolarHBondContact N-O 3.15Å; L253-F309 PolarHBondContact O-N 3.01Å; V255-F309 HydrophobicContact CG2-CD2 4.36Å; V255-F309 HydrophobicContact CG2-CE2 4.35Å; I278-F309 HydrophobicContact CB-CE2 4.3Å; I278-F309 HydrophobicContact CB-CZ 3.8Å; I278-F309 HydrophobicContact CG2-CE1 4.45Å; I278-F309 HydrophobicContact CG2-CE2 3.85Å; I278-F309 HydrophobicContact CG2-CZ 3.55Å; Q280-F309 HydrophobicContact CB-CD1 3.93Å; Q280-F309 HydrophobicContact CB-CE1 4.22Å; K288-F309 HydrophobicContact CB-CD1 4.07Å; K288-F309 HydrophobicContact CB-CE1 4.33Å; K288-F309 HydrophobicContact CG-CD1 4.14Å; K288-F309 HydrophobicContact CG-CE1 4.31Å; K290-F309 HydrophobicContact CB-CE1 4.15Å; K290-F309 HydrophobicContact CB-CE2 4.48Å; K290-F309 HydrophobicContact CB-CZ 3.72Å; K290-F309 HydrophobicContact CD-CE1 4.27Å; K290-F309 HydrophobicContact CD-CE2 4.37Å; K290-F309 HydrophobicContact CD-CZ 4.13Å; K290-F309 HydrophobicContact CG-CE1 3.89Å; K290-F309 HydrophobicContact CG-CZ 3.89Å; L307-F309 HydrophobicContact CB-CE2 3.97Å; F309-L311 PolarHBondContact O-N 3.19Å |
| 310 | D | 97 | Very high | 92.9 | Very high | 106 Ų | 106 | 46.1 Ų | 46.1 | 57% | 0.567 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 123.3 | 169.6 | -57.9 | -45.9 | 0 | 0 | 0 | 108.6 | K252 Q280 | K252-D310 IonicContact NZ-OD1 3.85Å; K252-D310 PolarHBondContact NZ-OD1 3.34Å; Q280-D310 PolarHBondContact NE2-O 2.89Å |
| 311 | L | 95.5 | Very high | 93.7 | Very high | 5 Ų | 5 | 43.8 Ų | 43.8 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | trans | -145.2 | 109.6 | 178.9 | 179.2 | 58 | 0 | 0 | 0 | 110.1 | F246 Q251 L253 F309 A315 M316 T319 W355 | F246-L311 HydrophobicContact CD2-CD2 4.25Å; F246-L311 HydrophobicContact CE2-CB 4.04Å; F246-L311 HydrophobicContact CE2-CD2 4.2Å; F246-L311 HydrophobicContact CE2-CG 4.04Å; F246-L311 WeakPolarHBondContact CE2-O 3.43Å; F246-L311 WeakPolarHBondContact CZ-O 3.34Å; Q251-L311 CarbonylContact C-O 3.4Å; Q251-L311 VanDerWaalsContact C-O 3.28Å; Q251-L311 WeakPolarHBondContact CA-O 3.23Å; Q251-L311 WeakPolarHBondContact CB-O 3.29Å; Q251-L311 CarbonylContact O-C 3.58Å; Q251-L311 PolarHBondContact O-N 2.97Å; L253-L311 HydrophobicContact CB-CB 4.03Å; L253-L311 HydrophobicContact CB-CD2 3.97Å; L253-L311 HydrophobicContact CD1-CD2 4.38Å; L253-L311 HydrophobicContact CD2-CD2 4Å; L253-L311 HydrophobicContact CG-CD2 4.36Å; F309-L311 PolarHBondContact O-N 3.19Å; L311-A315 HydrophobicContact CD1-CB 3.95Å; L311-M316 HydrophobicContact CD2-CG 3.89Å; L311-M316 HydrophobicContact CG-CG 4.08Å; L311-T319 HydrophobicContact CD1-CG2 4.03Å; L311-T319 WeakPolarHBondContact CD1-OG1 3.09Å; L311-T319 HydrophobicContact CD2-CG2 4.27Å; L311-W355 HydrophobicContact CD2-CH2 4.02Å; L311-W355 HydrophobicContact CD2-CZ2 4.46Å | ||
| 312 | H | 94 | Very high | 94.2 | Very high | 92 Ų | 92 | 43.8 Ų | 43.8 | 43% | 0.426 | 26% | 0.256 | S | S | . | . | trans | -69.2 | 139.9 | 173.3 | -164.8 | -88.3 | 0 | 0 | 0 | 110.1 | Q251 S314 A315 | Q251-H312 PolarHBondContact NE2-CD2 3.49Å; Q251-H312 PolarHBondContact NE2-NE2 2.9Å; Q251-H312 PolarHBondContact OE1-CD2 3.2Å; H312-S314 WeakPolarHBondContact ND1-CB 3.42Å; H312-S314 PolarHBondContact ND1-N 2.94Å; H312-S314 PolarHBondContact ND1-OG 2.95Å; H312-S314 PolarHBondContact O-N 3.43Å; H312-S314 VanDerWaalsContact O-N 3.14Å; H312-A315 WeakPolarHBondContact O-CB 3.34Å; H312-A315 PolarHBondContact O-N 3.02Å | ||
| 313 | T | 91.3 | Very high | 94.8 | Very high | 70 Ų | 70 | 40.3 Ų | 40.3 | 43% | 0.429 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -54 | -37.7 | -178.8 | -50.9 | 0 | 0 | 0 | 0 | 112.4 | F246 A315 M316 | F246-T313 HydrophobicContact CE1-CG2 4.37Å; T313-A315 PolarHBondContact O-N 2.84Å; T313-M316 PolarHBondContact O-N 2.81Å |
| 314 | S | 92.1 | Very high | 95.2 | Very high | 92 Ų | 92 | 41.2 Ų | 41.2 | 64% | 0.643 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | -65.4 | -19.6 | 177.3 | 68.9 | 0 | 0 | 0 | 0 | 114.4 | H312 | H312-S314 WeakPolarHBondContact ND1-CB 3.42Å; H312-S314 PolarHBondContact ND1-N 2.94Å; H312-S314 PolarHBondContact ND1-OG 2.95Å; H312-S314 PolarHBondContact O-N 3.43Å; H312-S314 VanDerWaalsContact O-N 3.14Å |
| 315 | A | 94 | Very high | 95.6 | Very high | 15 Ų | 15 | 35.8 Ų | 35.8 | 12% | 0.124 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -95.2 | -8.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y282 L311 H312 T313 A317 D318 T319 | Y282-A315 HydrophobicContact CD2-CB 3.86Å; Y282-A315 HydrophobicContact CE2-CB 3.62Å; L311-A315 HydrophobicContact CD1-CB 3.95Å; H312-A315 WeakPolarHBondContact O-CB 3.34Å; H312-A315 PolarHBondContact O-N 3.02Å; T313-A315 PolarHBondContact O-N 2.84Å; A315-A317 VanDerWaalsContact C-N 3.29Å; A315-A317 PolarHBondContact O-N 3.48Å; A315-D318 PolarHBondContact O-N 2.91Å; A315-T319 WeakPolarHBondContact O-CB 3.21Å; A315-T319 PolarHBondContact O-N 3.34Å; A315-T319 PolarHBondContact O-OG1 3.16Å |
| 316 | M | 91.6 | Very high | 95.7 | Very high | 12 Ų | 12 | 34.6 Ų | 34.6 | 6% | 0.059 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -59.4 | -37.4 | -176 | -72 | -165 | 82 | 0 | 0 | 113.5 | F246 L311 T313 D318 T319 W355 | F246-M316 HydrophobicContact CB-CE 3.79Å; F246-M316 HydrophobicContact CD1-CE 3.63Å; F246-M316 HydrophobicContact CD1-SD 3.25Å; F246-M316 WeakPolarHBondContact CD1-SD 3.46Å; F246-M316 HydrophobicContact CD2-CE 4.01Å; F246-M316 HydrophobicContact CD2-SD 4.13Å; F246-M316 HydrophobicContact CE1-CE 4.22Å; F246-M316 HydrophobicContact CE1-CG 4.25Å; F246-M316 HydrophobicContact CE1-SD 3.25Å; F246-M316 WeakPolarHBondContact CE1-SD 3.24Å; F246-M316 HydrophobicContact CE2-CG 4.38Å; F246-M316 HydrophobicContact CE2-SD 4.14Å; F246-M316 HydrophobicContact CG-CE 3.52Å; F246-M316 HydrophobicContact CG-SD 3.72Å; F246-M316 HydrophobicContact CZ-CG 4.15Å; F246-M316 HydrophobicContact CZ-SD 3.73Å; L311-M316 HydrophobicContact CD2-CG 3.89Å; L311-M316 HydrophobicContact CG-CG 4.08Å; T313-M316 PolarHBondContact O-N 2.81Å; M316-D318 PolarHBondContact O-N 3.2Å; M316-T319 PolarHBondContact O-N 3.11Å; M316-W355 WeakPolarHBondContact O-CZ2 3.23Å; M316-W355 PolarHBondContact O-NE1 2.8Å |
| 317 | A | 92 | Very high | 95.7 | Very high | 61 Ų | 61 | 30.5 Ų | 30.5 | 50% | 0.504 | 18% | 0.18 | S | C | . | . | G | 310 helix | trans | -65.6 | -24.1 | -176 | 0 | 0 | 0 | 0 | 0 | 113.4 | A315 P344 | A315-A317 VanDerWaalsContact C-N 3.29Å; A315-A317 PolarHBondContact O-N 3.48Å; A317-P344 WeakPolarHBondContact O-CG 3.11Å |
| 318 | D | 94.1 | Very high | 95.6 | Very high | 65 Ų | 65 | 33.4 Ų | 33.4 | 35% | 0.348 | 19% | 0.19 | S | C | . | . | G | 310 helix | trans | -115.7 | 13.5 | -179.5 | -52.5 | -42 | 0 | 0 | 0 | 112.5 | Y282 Q283 A315 M316 | Y282-D318 HydrophobicContact CD2-CB 3.99Å; Y282-D318 HydrophobicContact CE2-CB 3.7Å; Q283-D318 HydrophobicContact CG-CB 3.65Å; Q283-D318 PolarHBondContact N-O 3.2Å; Q283-D318 PolarHBondContact NE2-OD2 3.21Å; Q283-D318 VanDerWaalsContact NE2-OD2 3.16Å; A315-D318 PolarHBondContact O-N 2.91Å; M316-D318 PolarHBondContact O-N 3.2Å |
| 319 | T | 95.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 129.7 | -179.3 | -64.9 | 0 | 0 | 0 | 0 | 110.8 | Q280 L281 L311 A315 M316 P344 W355 | Q280-T319 HydrophobicContact CG-CG2 4.08Å; L281-T319 CarbonylContact O-C 3.52Å; L281-T319 VanDerWaalsContact O-CA 3.27Å; L281-T319 WeakPolarHBondContact O-CA 3.31Å; L311-T319 HydrophobicContact CD1-CG2 4.03Å; L311-T319 WeakPolarHBondContact CD1-OG1 3.09Å; L311-T319 HydrophobicContact CD2-CG2 4.27Å; A315-T319 WeakPolarHBondContact O-CB 3.21Å; A315-T319 PolarHBondContact O-N 3.34Å; A315-T319 PolarHBondContact O-OG1 3.16Å; M316-T319 PolarHBondContact O-N 3.11Å; T319-P344 WeakPolarHBondContact O-CD 3.32Å; T319-W355 HydrophobicContact CG2-CH2 3.95Å; T319-W355 HydrophobicContact CG2-CZ2 4.24Å; T319-W355 WeakPolarHBondContact O-CZ2 3.07Å |
| 320 | N | 96.5 | Very high | 94.9 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 149.5 | 169.6 | -66.1 | -90.4 | 0 | 0 | 0 | 109.8 | L281 I341 G343 P344 D345 F392 | L281-N320 HydrophobicContact CB-CB 4.43Å; L281-N320 PolarHBondContact N-O 2.7Å; L281-N320 PolarHBondContact O-N 3.47Å; N320-I341 HydrophobicContact CB-CG2 4.4Å; N320-G343 WeakPolarHBondContact OD1-CA 3.41Å; N320-P344 WeakPolarHBondContact OD1-CD 3.48Å; N320-D345 PolarHBondContact ND2-OD2 3.47Å; N320-D345 WeakPolarHBondContact OD1-CB 3.31Å; N320-D345 PolarHBondContact OD1-N 3.33Å; N320-F392 HydrophobicContact CB-CE1 3.88Å |
| 321 | L | 97.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 124.4 | 166.3 | -63.6 | -177.5 | 0 | 0 | 0 | 108.9 | L253 V255 I278 I279 Q280 I323 I341 I342 W355 | L253-L321 HydrophobicContact CD2-CD1 3.81Å; L253-L321 HydrophobicContact CD2-CD2 3.87Å; L253-L321 HydrophobicContact CD2-CG 4.04Å; V255-L321 HydrophobicContact CG2-CD1 3.58Å; I278-L321 HydrophobicContact CG2-CB 4.46Å; I278-L321 HydrophobicContact CG2-CD1 4.48Å; I278-L321 HydrophobicContact CG2-CD2 4.14Å; I279-L321 WeakPolarHBondContact O-CA 3.41Å; Q280-L321 HydrophobicContact CB-CD2 4.22Å; Q280-L321 HydrophobicContact CG-CD2 4.45Å; L321-I323 HydrophobicContact CB-CD1 3.82Å; L321-I323 WeakPolarHBondContact O-CD1 3.29Å; L321-I341 VanDerWaalsContact O-CA 3.31Å; L321-I341 WeakPolarHBondContact O-CA 3.19Å; L321-I342 HydrophobicContact CB-CB 4.39Å; L321-I342 PolarHBondContact N-O 3.38Å; L321-I342 PolarHBondContact O-N 3.37Å; L321-W355 HydrophobicContact CD1-CZ3 4.34Å; L321-W355 HydrophobicContact CG-CZ3 4.22Å |
| 322 | L | 97.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 113 | 166.1 | 173 | 60.5 | 0 | 0 | 0 | 108.7 | I279 L281 K324 C339 I341 V388 A396 | I279-L322 HydrophobicContact CB-CB 4.3Å; I279-L322 HydrophobicContact CD1-CD2 4.26Å; I279-L322 PolarHBondContact N-O 2.93Å; I279-L322 PolarHBondContact O-N 3.45Å; L281-L322 HydrophobicContact CD1-CB 3.98Å; L322-K324 HydrophobicContact CD1-CG 4.48Å; L322-K324 HydrophobicContact CG-CG 4.23Å; L322-C339 HydrophobicContact CD1-CB 4.32Å; L322-I341 HydrophobicContact CD1-CG1 4.01Å; L322-V388 HydrophobicContact CD1-CG1 4.19Å; L322-V388 HydrophobicContact CD1-CG2 4.29Å; L322-V388 HydrophobicContact CD2-CG1 3.85Å; L322-V388 HydrophobicContact CD2-CG2 4.17Å; L322-A396 HydrophobicContact CD2-CB 3.74Å |
| 323 | I | 98.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 120.1 | 180 | -57.7 | 92.1 | 0 | 0 | 0 | 107.8 | I240 L242 V276 I278 L321 C339 C340 I342 | I240-I323 HydrophobicContact CD1-CG2 4.25Å; L242-I323 HydrophobicContact CD1-CB 4.44Å; L242-I323 HydrophobicContact CD1-CD1 4.21Å; L242-I323 HydrophobicContact CD1-CG1 4Å; L242-I323 HydrophobicContact CD1-CG2 4.21Å; V276-I323 HydrophobicContact CG1-CG2 3.47Å; V276-I323 VanDerWaalsContact CG1-CG2 3.47Å; I278-I323 HydrophobicContact CD1-CG1 4.4Å; I278-I323 HydrophobicContact CG1-CG1 4.17Å; I278-I323 HydrophobicContact CG1-CG2 4.29Å; I278-I323 HydrophobicContact CG2-CG1 4.36Å; L321-I323 HydrophobicContact CB-CD1 3.82Å; L321-I323 WeakPolarHBondContact O-CD1 3.29Å; I323-C339 CarbonylContact O-C 3.54Å; I323-C339 WeakPolarHBondContact O-CA 3.46Å; I323-C339 WeakPolarHBondContact O-CB 3.44Å; I323-C340 PolarHBondContact N-O 3.26Å; I323-C340 PolarHBondContact O-N 3.03Å; I323-I342 HydrophobicContact CD1-CB 4.14Å; I323-I342 HydrophobicContact CD1-CD1 3.8Å; I323-I342 HydrophobicContact CD1-CG1 3.82Å |
| 324 | K | 97.7 | Very high | 94 | Very high | 31 Ų | 31 | 53.7 Ų | 53.7 | 14% | 0.135 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 127.1 | 175.7 | -59.4 | -173.6 | 176.6 | -160.4 | 0 | 109.5 | V276 K277 I279 L322 M326 L336 C339 V388 | V276-K324 CarbonylContact C-O 3.5Å; V276-K324 WeakPolarHBondContact CA-O 3.11Å; K277-K324 HydrophobicContact CB-CB 4.38Å; K277-K324 PolarHBondContact N-O 2.89Å; K277-K324 PolarHBondContact O-N 2.84Å; I279-K324 HydrophobicContact CD1-CD 4.45Å; L322-K324 HydrophobicContact CD1-CG 4.48Å; L322-K324 HydrophobicContact CG-CG 4.23Å; K324-M326 HydrophobicContact CB-CG 4.22Å; K324-M326 HydrophobicContact CB-SD 3.77Å; K324-M326 HydrophobicContact CD-SD 4.17Å; K324-L336 HydrophobicContact CB-CD1 3.85Å; K324-L336 HydrophobicContact CD-CD1 4.16Å; K324-L336 HydrophobicContact CG-CD1 4.14Å; K324-C339 HydrophobicContact CG-CB 4.18Å; K324-V388 HydrophobicContact CD-CG2 4.46Å; K324-V388 VanDerWaalsContact CE-CG2 3.4Å |
| 325 | V | 98 | Very high | 94.1 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 121.1 | 164.8 | -170.1 | 0 | 0 | 0 | 0 | 106.4 | I240 L263 P274 V276 L337 G338 L384 | I240-V325 HydrophobicContact CD1-CG2 3.82Å; L263-V325 HydrophobicContact CD1-CG1 3.88Å; L263-V325 HydrophobicContact CD2-CG1 3.96Å; P274-V325 HydrophobicContact CB-CG1 4.31Å; V276-V325 HydrophobicContact CG2-CG2 4.34Å; V325-L337 HydrophobicContact CB-CB 4.3Å; V325-L337 HydrophobicContact CG1-CB 4.18Å; V325-L337 HydrophobicContact CG1-CD1 4.04Å; V325-L337 WeakPolarHBondContact O-CB 3.38Å; V325-L337 PolarHBondContact O-N 3.44Å; V325-G338 PolarHBondContact N-O 2.85Å; V325-G338 PolarHBondContact O-N 3.37Å; V325-L384 HydrophobicContact CB-CD1 4.12Å; V325-L384 HydrophobicContact CG2-CD1 3.71Å; V325-L384 HydrophobicContact CG2-CD2 3.77Å; V325-L384 HydrophobicContact CG2-CG 4.43Å |
| 326 | M | 97.4 | Very high | 94.1 | Very high | 20 Ų | 20 | 54 Ų | 54 | 10% | 0.099 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 147.1 | -173.1 | -58.2 | -64.4 | -52.2 | 0 | 0 | 108.5 | P274 Y275 K277 K324 D334 D335 L336 | P274-M326 CarbonylContact C-O 3.55Å; P274-M326 WeakPolarHBondContact CA-O 3.44Å; Y275-M326 HydrophobicContact CD1-CB 3.81Å; Y275-M326 HydrophobicContact CD2-CB 4.34Å; Y275-M326 HydrophobicContact CE1-CB 3.33Å; Y275-M326 HydrophobicContact CE1-CG 4.18Å; Y275-M326 HydrophobicContact CE2-CB 3.88Å; Y275-M326 HydrophobicContact CE2-CG 3.89Å; Y275-M326 HydrophobicContact CG-CB 4.31Å; Y275-M326 PolarHBondContact N-O 2.93Å; Y275-M326 PolarHBondContact O-N 2.88Å; K277-M326 HydrophobicContact CB-CG 4.24Å; K324-M326 HydrophobicContact CB-CG 4.22Å; K324-M326 HydrophobicContact CB-SD 3.77Å; K324-M326 HydrophobicContact CD-SD 4.17Å; M326-D334 HydrophobicContact CE-CB 3.91Å; M326-D334 WeakPolarHBondContact CE-O 3.19Å; M326-D335 CarbonylContact C-O 3.49Å; M326-D335 VanDerWaalsContact CA-O 3.29Å; M326-D335 WeakPolarHBondContact CA-O 3.09Å; M326-D335 WeakPolarHBondContact CE-O 3.36Å; M326-L336 HydrophobicContact SD-CB 4.49Å; M326-L336 HydrophobicContact SD-CD1 3.67Å |
| 327 | D | 96.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 133.9 | 164.4 | -167.7 | 18.4 | 0 | 0 | 0 | 109.6 | M266 S272 D273 D334 D335 L337 | M266-D327 HydrophobicContact CB-CB 4.31Å; M266-D327 WeakPolarHBondContact CB-OD2 3.33Å; S272-D327 WeakPolarHBondContact CB-OD1 3.48Å; D273-D327 WeakPolarHBondContact CA-OD1 3.34Å; D273-D327 PolarHBondContact N-OD1 3.32Å; D327-D334 VanDerWaalsContact O-CA 3.24Å; D327-D334 WeakPolarHBondContact O-CA 3.08Å; D327-D334 WeakPolarHBondContact O-CB 3.35Å; D327-D335 HydrophobicContact CB-CB 4.2Å; D327-D335 PolarHBondContact N-O 2.08Å; D327-D335 PolarHBondContact O-N 2.9Å; D327-L337 HydrophobicContact CB-CD1 4.05Å; D327-L337 HydrophobicContact CB-CD2 4.12Å; D327-L337 HydrophobicContact CB-CG 3.94Å |
| 328 | W | 96.1 | Very high | 94.4 | Very high | 77 Ų | 77 | 50.6 Ų | 50.6 | 29% | 0.292 | 24% | 0.243 | S | C | . | . | P | Polyproline II helix | trans | -90.8 | 117 | 178.3 | 177 | 75.5 | 0 | 0 | 0 | 110.6 | D273 Y275 I294 R330 | D273-W328 HydrophobicContact CB-CB 4.11Å; D273-W328 HydrophobicContact CB-CE3 4.41Å; D273-W328 WeakPolarHBondContact O-CB 3.49Å; D273-W328 PolarHBondContact O-N 3.14Å; Y275-W328 HydrophobicContact CD1-CB 4.04Å; Y275-W328 HydrophobicContact CE1-CB 4.19Å; I294-W328 HydrophobicContact CD1-CB 3.94Å; I294-W328 HydrophobicContact CD1-CD2 4.04Å; I294-W328 HydrophobicContact CD1-CG 3.54Å; I294-W328 HydrophobicContact CG1-CB 4.13Å; I294-W328 HydrophobicContact CG1-CG 4.28Å; I294-W328 HydrophobicContact CG2-CB 3.97Å; I294-W328 HydrophobicContact CG2-CG 4.44Å; W328-R330 HydrophobicContact CH2-CB 3.88Å; W328-R330 HydrophobicContact CH2-CG 4.2Å; W328-R330 HydrophobicContact CZ3-CB 4.17Å |
| 329 | D | 91.6 | Very high | 94.5 | Very high | 30 Ų | 30 | 47.5 Ų | 47.5 | 16% | 0.16 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -99 | 133.1 | 176.8 | -69.4 | -75.4 | 0 | 0 | 0 | 111.7 | I331 D334 D335 | D329-I331 PolarHBondContact O-N 2.92Å; D329-D334 WeakPolarHBondContact OD2-CA 3.2Å; D329-D335 PolarHBondContact OD2-N 2.81Å |
| 330 | R | 87.7 | Confident | 94.5 | Very high | 224 Ų | 224 | 47.4 Ų | 47.4 | 85% | 0.845 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -62.8 | -33.4 | 173.5 | -174.6 | 178.7 | 179.6 | -174.8 | 0.3 | 112.2 | W328 | W328-R330 HydrophobicContact CH2-CB 3.88Å; W328-R330 HydrophobicContact CH2-CG 4.2Å; W328-R330 HydrophobicContact CZ3-CB 4.17Å |
| 331 | I | 84.9 | Confident | 94.5 | Very high | 154 Ų | 154 | 47.4 Ų | 47.4 | 79% | 0.79 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -134.3 | 121.7 | -176.8 | -58 | 176.3 | 0 | 0 | 0 | 108.1 | D329 | D329-I331 PolarHBondContact O-N 2.92Š|
| 332 | G | 88.4 | Confident | 94.4 | Very high | 67 Ų | 67 | 47.4 Ų | 47.4 | 69% | 0.691 | 23% | 0.226 | S | C | * | . | S | Bend | trans | 113 | -153.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 333 | R | 91.8 | Very high | 94.3 | Very high | 229 Ų | 229 | 47.4 Ų | 47.4 | 86% | 0.864 | 23% | 0.226 | S | C | * | . | trans | -105.8 | 133 | 174.7 | -60.1 | -179.5 | -164.1 | 175.6 | 5.8 | 107.4 | D335 | R333-D335 PolarHBondContact O-N 2.83Š| ||
| 334 | D | 95 | Very high | 94.1 | Very high | 48 Ų | 48 | 49.7 Ų | 49.7 | 26% | 0.257 | 24% | 0.241 | S | C | . | . | trans | -46.1 | 128.7 | 169.8 | -56.8 | 13.4 | 0 | 0 | 0 | 112.3 | Y275 M326 D327 D329 | Y275-D334 HydrophobicContact CE1-CB 4.38Å; Y275-D334 VanDerWaalsContact CE1-OD2 3.23Å; Y275-D334 WeakPolarHBondContact CE1-OD2 3.41Å; Y275-D334 VanDerWaalsContact CZ-OD2 3.24Å; Y275-D334 PolarHBondContact OH-OD2 2.86Å; M326-D334 HydrophobicContact CE-CB 3.91Å; M326-D334 WeakPolarHBondContact CE-O 3.19Å; D327-D334 VanDerWaalsContact O-CA 3.24Å; D327-D334 WeakPolarHBondContact O-CA 3.08Å; D327-D334 WeakPolarHBondContact O-CB 3.35Å; D329-D334 WeakPolarHBondContact OD2-CA 3.2Å | ||
| 335 | D | 94.1 | Very high | 93.9 | Very high | 66 Ų | 66 | 51.8 Ų | 51.8 | 35% | 0.353 | 25% | 0.254 | S | S | . | . | trans | -79.8 | 145.7 | 178.2 | -79.4 | -36.3 | 0 | 0 | 0 | 113.1 | M266 M326 D327 D329 R333 L337 | M266-D335 HydrophobicContact CE-CB 3.91Å; M266-D335 WeakPolarHBondContact CE-OD2 3.45Å; M326-D335 CarbonylContact C-O 3.49Å; M326-D335 VanDerWaalsContact CA-O 3.29Å; M326-D335 WeakPolarHBondContact CA-O 3.09Å; M326-D335 WeakPolarHBondContact CE-O 3.36Å; D327-D335 HydrophobicContact CB-CB 4.2Å; D327-D335 PolarHBondContact N-O 2.08Å; D327-D335 PolarHBondContact O-N 2.9Å; D329-D335 PolarHBondContact OD2-N 2.81Å; R333-D335 PolarHBondContact O-N 2.83Å; D335-L337 PolarHBondContact O-N 3.5Å | ||
| 336 | L | 94.8 | Very high | 93.7 | Very high | 48 Ų | 48 | 52 Ų | 52 | 25% | 0.251 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 113 | 174 | -179.4 | 67.6 | 0 | 0 | 0 | 109.4 | K324 M326 G338 | K324-L336 HydrophobicContact CB-CD1 3.85Å; K324-L336 HydrophobicContact CD-CD1 4.16Å; K324-L336 HydrophobicContact CG-CD1 4.14Å; M326-L336 HydrophobicContact SD-CB 4.49Å; M326-L336 HydrophobicContact SD-CD1 3.67Å; L336-G338 WeakPolarHBondContact CD1-O 3.3Å |
| 337 | L | 94.1 | Very high | 93.4 | Very high | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | -30.5 | 172.8 | -66.6 | 172.2 | 0 | 0 | 0 | 112 | Y237 L263 R264 M266 P274 V325 D327 D335 | Y237-L337 VanDerWaalsContact CD1-O 3.29Å; Y237-L337 WeakPolarHBondContact CD1-O 3.48Å; L263-L337 HydrophobicContact CD1-CD1 4.23Å; R264-L337 HydrophobicContact CB-CD2 4.33Å; R264-L337 VanDerWaalsContact O-CD2 3.3Å; R264-L337 WeakPolarHBondContact O-CD2 3.37Å; M266-L337 HydrophobicContact CB-CD2 4.2Å; M266-L337 HydrophobicContact CG-CD2 3.28Å; P274-L337 HydrophobicContact CB-CD1 3.88Å; V325-L337 HydrophobicContact CB-CB 4.3Å; V325-L337 HydrophobicContact CG1-CB 4.18Å; V325-L337 HydrophobicContact CG1-CD1 4.04Å; V325-L337 WeakPolarHBondContact O-CB 3.38Å; V325-L337 PolarHBondContact O-N 3.44Å; D327-L337 HydrophobicContact CB-CD1 4.05Å; D327-L337 HydrophobicContact CB-CD2 4.12Å; D327-L337 HydrophobicContact CB-CG 3.94Å; D335-L337 PolarHBondContact O-N 3.5Å |
| 338 | G | 94.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 163.2 | 175.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V325 L336 L385 | V325-G338 PolarHBondContact N-O 2.85Å; V325-G338 PolarHBondContact O-N 3.37Å; L336-G338 WeakPolarHBondContact CD1-O 3.3Å; G338-L385 CarbonylContact C-O 3.54Å; G338-L385 VanDerWaalsContact CA-O 3.25Å; G338-L385 WeakPolarHBondContact CA-O 3.41Å |
| 339 | C | 96 | Very high | 92.5 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 161 | 179.9 | 72.6 | 0 | 0 | 0 | 0 | 113.8 | L322 I323 K324 L385 D387 | L322-C339 HydrophobicContact CD1-CB 4.32Å; I323-C339 CarbonylContact O-C 3.54Å; I323-C339 WeakPolarHBondContact O-CA 3.46Å; I323-C339 WeakPolarHBondContact O-CB 3.44Å; K324-C339 HydrophobicContact CG-CB 4.18Å; C339-L385 PolarHBondContact N-O 3.33Å; C339-L385 VanDerWaalsContact O-CB 3.32Å; C339-L385 WeakPolarHBondContact O-CB 3.32Å; C339-L385 PolarHBondContact O-N 2.86Å; C339-D387 PolarHBondContact SG-O 3.17Å; C339-D387 VanDerWaalsContact SG-O 3.41Å |
| 340 | C | 95.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 164.6 | 165.7 | 65.8 | 0 | 0 | 0 | 0 | 110.1 | I323 H382 | I323-C340 PolarHBondContact N-O 3.26Å; I323-C340 PolarHBondContact O-N 3.03Å; C340-H382 HydrophobicContact CB-CB 3.84Å |
| 341 | I | 96.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 133.9 | 176.8 | -61.5 | 154.1 | 0 | 0 | 0 | 107.9 | N320 L321 L322 S346 G351 P389 F392 | N320-I341 HydrophobicContact CB-CG2 4.4Å; L321-I341 VanDerWaalsContact O-CA 3.31Å; L321-I341 WeakPolarHBondContact O-CA 3.19Å; L322-I341 HydrophobicContact CD1-CG1 4.01Å; I341-S346 VanDerWaalsContact O-CB 3.31Å; I341-S346 WeakPolarHBondContact O-CB 3.28Å; I341-S346 PolarHBondContact O-OG 2.8Å; I341-G351 VanDerWaalsContact O-CA 3.31Å; I341-G351 WeakPolarHBondContact O-CA 3.28Å; I341-P389 HydrophobicContact CD1-CB 4.3Å; I341-P389 HydrophobicContact CD1-CG 3.63Å; I341-F392 HydrophobicContact CD1-CD1 4.14Å; I341-F392 HydrophobicContact CD1-CD2 3.52Å; I341-F392 HydrophobicContact CD1-CE1 4.17Å; I341-F392 HydrophobicContact CD1-CE2 3.55Å; I341-F392 HydrophobicContact CD1-CG 3.83Å; I341-F392 HydrophobicContact CD1-CZ 3.87Å; I341-F392 HydrophobicContact CG1-CD1 4.4Å; I341-F392 HydrophobicContact CG1-CE1 4.39Å; I341-F392 HydrophobicContact CG1-CG 4.49Å; I341-F392 HydrophobicContact CG1-CZ 4.46Å; I341-F392 HydrophobicContact CG2-CE1 3.86Å; I341-F392 HydrophobicContact CG2-CZ 3.82Å |
| 342 | I | 96 | Very high | 92.7 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 121.4 | 170.1 | -62.8 | 170.9 | 0 | 0 | 0 | 107 | L242 V244 L321 I323 W355 | L242-I342 HydrophobicContact CB-CD1 4.3Å; L242-I342 HydrophobicContact CD1-CD1 3.54Å; V244-I342 HydrophobicContact CG2-CD1 3.9Å; V244-I342 HydrophobicContact CG2-CG2 4.45Å; L321-I342 HydrophobicContact CB-CB 4.39Å; L321-I342 PolarHBondContact N-O 3.38Å; L321-I342 PolarHBondContact O-N 3.37Å; I323-I342 HydrophobicContact CD1-CB 4.14Å; I323-I342 HydrophobicContact CD1-CD1 3.8Å; I323-I342 HydrophobicContact CD1-CG1 3.82Å; I342-W355 HydrophobicContact CG2-CB 4.05Å; I342-W355 HydrophobicContact CG2-CE3 3.81Å |
| 343 | G | 95.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | S | Bend | trans | 157.2 | 174.1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | N320 D345 S346 G351 | N320-G343 WeakPolarHBondContact OD1-CA 3.41Å; G343-D345 PolarHBondContact O-N 2.87Å; G343-S346 WeakPolarHBondContact O-CB 3.49Å; G343-S346 PolarHBondContact O-N 3.22Å; G343-G351 PolarHBondContact N-O 2.86Å |
| 344 | P | 93.8 | Very high | 92.8 | Very high | 49 Ų | 49 | 34.2 Ų | 34.2 | 32% | 0.318 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -33.4 | 179.6 | 27.7 | -35 | 0 | 0 | 0 | 112.1 | A317 T319 N320 S346 | A317-P344 WeakPolarHBondContact O-CG 3.11Å; T319-P344 WeakPolarHBondContact O-CD 3.32Å; N320-P344 WeakPolarHBondContact OD1-CD 3.48Å; P344-S346 VanDerWaalsContact C-N 3.34Å |
| 345 | D | 94.2 | Very high | 92.7 | Very high | 75 Ų | 75 | 32.7 Ų | 32.7 | 40% | 0.401 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 14.2 | -176.8 | -52.4 | -43.9 | 0 | 0 | 0 | 112.1 | H284 N320 G343 V347 F392 | H284-D345 IonicContact CE1-OD2 3.96Å; N320-D345 PolarHBondContact ND2-OD2 3.47Å; N320-D345 WeakPolarHBondContact OD1-CB 3.31Å; N320-D345 PolarHBondContact OD1-N 3.33Å; G343-D345 PolarHBondContact O-N 2.87Å; D345-V347 PolarHBondContact O-N 3.02Å; D345-F392 HydrophobicContact CB-CE2 4.49Å; D345-F392 HydrophobicContact CB-CZ 3.83Å |
| 346 | S | 93.9 | Very high | 92.4 | Very high | 4 Ų | 4 | 33.8 Ų | 33.8 | 3% | 0.028 | 16% | 0.164 | C | C | . | . | trans | -62.7 | 135.2 | 178.4 | -175.9 | 0 | 0 | 0 | 0 | 111.1 | I341 G343 P344 T348 R352 | I341-S346 VanDerWaalsContact O-CB 3.31Å; I341-S346 WeakPolarHBondContact O-CB 3.28Å; I341-S346 PolarHBondContact O-OG 2.8Å; G343-S346 WeakPolarHBondContact O-CB 3.49Å; G343-S346 PolarHBondContact O-N 3.22Å; P344-S346 VanDerWaalsContact C-N 3.34Å; S346-T348 VanDerWaalsContact C-N 3.26Å; S346-T348 PolarHBondContact O-N 2.88Å; S346-T348 PolarHBondContact OG-N 3.47Å; S346-T348 PolarHBondContact OG-O 2.9Å; S346-T348 PolarHBondContact OG-OG1 2.94Å; S346-R352 WeakPolarHBondContact O-CG 3.06Å; S346-R352 PolarHBondContact O-NH1 3.22Å | ||
| 347 | V | 91.3 | Very high | 92 | Very high | 75 Ų | 75 | 34.6 Ų | 34.6 | 46% | 0.455 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -69.9 | -26.3 | 176.6 | -59.5 | 0 | 0 | 0 | 0 | 112 | D345 R352 L385 P389 | D345-V347 PolarHBondContact O-N 3.02Å; V347-R352 PolarHBondContact O-NH1 3.11Å; V347-L385 HydrophobicContact CG2-CD1 3.57Å; V347-P389 HydrophobicContact CG1-CB 3.99Å; V347-P389 HydrophobicContact CG1-CG 3.97Å; V347-P389 HydrophobicContact CG2-CG 3.99Å |
| 348 | T | 86.6 | Confident | 91.5 | Very high | 27 Ų | 27 | 34.6 Ų | 34.6 | 17% | 0.166 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -94.2 | 150.3 | 179.3 | 65.6 | 0 | 0 | 0 | 0 | 110.9 | S346 E350 G351 R352 L385 | S346-T348 VanDerWaalsContact C-N 3.26Å; S346-T348 PolarHBondContact O-N 2.88Å; S346-T348 PolarHBondContact OG-N 3.47Å; S346-T348 PolarHBondContact OG-O 2.9Å; S346-T348 PolarHBondContact OG-OG1 2.94Å; T348-E350 WeakPolarHBondContact CB-OE2 3.38Å; T348-G351 PolarHBondContact OG1-N 2.99Å; T348-R352 PolarHBondContact O-N 3.17Å; T348-R352 PolarHBondContact O-NH1 3.28Å; T348-L385 HydrophobicContact CG2-CD2 4.34Å |
| 349 | R | 87.1 | Confident | 90.4 | Very high | 127 Ų | 127 | 41.3 Ų | 41.3 | 48% | 0.479 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -66.8 | -43.3 | 179.2 | 176.8 | -178.8 | 170.1 | -149.7 | -11.4 | 110.3 | G351 R352 E353 | R349-G351 VanDerWaalsContact C-N 3.29Å; R349-G351 PolarHBondContact O-N 2.91Å; R349-R352 PolarHBondContact O-N 2.82Å; R349-R352 VanDerWaalsContact O-N 3.07Å; R349-E353 HydrophobicContact CG-CG 4.16Å; R349-E353 IonicContact CZ-OE1 3.22Å; R349-E353 IonicContact CZ-OE2 3.67Å; R349-E353 IonicContact NE-OE1 3.87Å; R349-E353 PolarHBondContact NE-OE1 2.86Å; R349-E353 IonicContact NE-OE2 2.78Å; R349-E353 IonicContact NH2-OE1 3.78Å; R349-E353 PolarHBondContact NH2-OE1 3.01Å; R349-E353 IonicContact NH2-OE2 2.7Å; R349-E353 WeakPolarHBondContact O-CG 3.41Å; R349-E353 PolarHBondContact O-N 3.25Å |
| 350 | E | 84.3 | Confident | 88.8 | Confident | 48 Ų | 48 | 48 Ų | 48 | 22% | 0.224 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.2 | -43 | 178.7 | -58.1 | 78.5 | -174.2 | 0 | 0 | 110.8 | T348 R352 E353 Q354 M380 | T348-E350 WeakPolarHBondContact CB-OE2 3.38Å; E350-R352 VanDerWaalsContact C-N 3.32Å; E350-R352 PolarHBondContact O-N 2.88Å; E350-E353 PolarHBondContact O-N 3.02Å; E350-Q354 WeakPolarHBondContact O-CB 3.4Å; E350-Q354 PolarHBondContact O-N 2.83Å; E350-M380 HydrophobicContact CB-SD 3.78Å |
| 351 | G | 91.8 | Very high | 87 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62 | -37.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | I341 G343 T348 R349 | I341-G351 VanDerWaalsContact O-CA 3.31Å; I341-G351 WeakPolarHBondContact O-CA 3.28Å; G343-G351 PolarHBondContact N-O 2.86Å; T348-G351 PolarHBondContact OG1-N 2.99Å; R349-G351 VanDerWaalsContact C-N 3.29Å; R349-G351 PolarHBondContact O-N 2.91Å |
| 352 | R | 93.1 | Very high | 84.9 | Confident | 94 Ų | 94 | 53 Ų | 53 | 36% | 0.355 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -76.1 | -44.6 | 175.8 | -62.6 | -171 | -61.8 | -86.3 | 0.4 | 111.3 | S346 V347 T348 R349 E350 W355 M356 | S346-R352 WeakPolarHBondContact O-CG 3.06Å; S346-R352 PolarHBondContact O-NH1 3.22Å; V347-R352 PolarHBondContact O-NH1 3.11Å; T348-R352 PolarHBondContact O-N 3.17Å; T348-R352 PolarHBondContact O-NH1 3.28Å; R349-R352 PolarHBondContact O-N 2.82Å; R349-R352 VanDerWaalsContact O-N 3.07Å; E350-R352 VanDerWaalsContact C-N 3.32Å; E350-R352 PolarHBondContact O-N 2.88Å; R352-W355 PolarHBondContact O-N 2.71Å; R352-M356 HydrophobicContact CB-CE 4.22Å; R352-M356 WeakPolarHBondContact O-CG 3.43Å; R352-M356 PolarHBondContact O-N 2.79Å |
| 353 | E | 89.9 | Confident | 82.9 | Confident | 57 Ų | 57 | 57.6 Ų | 57.6 | 27% | 0.266 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.4 | -46 | -179.2 | -74.9 | -177.9 | 163.3 | 0 | 0 | 112.2 | R349 E350 W355 M356 N357 M380 | R349-E353 HydrophobicContact CG-CG 4.16Å; R349-E353 IonicContact CZ-OE1 3.22Å; R349-E353 IonicContact CZ-OE2 3.67Å; R349-E353 IonicContact NE-OE1 3.87Å; R349-E353 PolarHBondContact NE-OE1 2.86Å; R349-E353 IonicContact NE-OE2 2.78Å; R349-E353 IonicContact NH2-OE1 3.78Å; R349-E353 PolarHBondContact NH2-OE1 3.01Å; R349-E353 IonicContact NH2-OE2 2.7Å; R349-E353 WeakPolarHBondContact O-CG 3.41Å; R349-E353 PolarHBondContact O-N 3.25Å; E350-E353 PolarHBondContact O-N 3.02Å; E353-W355 VanDerWaalsContact C-N 3.25Å; E353-W355 PolarHBondContact O-N 3.16Å; E353-M356 HydrophobicContact CG-CE 4.1Å; E353-M356 PolarHBondContact O-N 2.85Å; E353-N357 WeakPolarHBondContact O-CB 3.12Å; E353-N357 VanDerWaalsContact O-CG 3.23Å; E353-N357 PolarHBondContact O-N 3.2Å; E353-M380 HydrophobicContact CB-CE 4.45Å |
| 354 | Q | 90.4 | Very high | 80.8 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.4 | -37.6 | 176.7 | -165.2 | 175.1 | 25.4 | 0 | 0 | 112 | L242 V244 E350 C358 N378 M380 H382 | L242-Q354 PolarHBondContact O-NE2 3.36Å; V244-Q354 HydrophobicContact CB-CG 4.34Å; V244-Q354 HydrophobicContact CG2-CG 4.29Å; E350-Q354 WeakPolarHBondContact O-CB 3.4Å; E350-Q354 PolarHBondContact O-N 2.83Å; Q354-C358 VanDerWaalsContact O-CB 3.3Å; Q354-C358 WeakPolarHBondContact O-CB 3.48Å; Q354-C358 PolarHBondContact O-N 2.88Å; Q354-N378 PolarHBondContact NE2-O 3.49Å; Q354-N378 PolarHBondContact O-ND2 2.81Å; Q354-M380 HydrophobicContact CB-CB 4.45Å; Q354-M380 HydrophobicContact CB-CE 4.21Å; Q354-M380 HydrophobicContact CB-SD 3.8Å; Q354-M380 HydrophobicContact CG-CB 4.18Å; Q354-H382 PolarHBondContact OE1-NE2 2.89Å |
| 355 | W | 93 | Very high | 78.7 | Confident | 15 Ų | 15 | 65.3 Ų | 65.3 | 6% | 0.057 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.6 | -43.5 | 176 | -170 | -107.8 | 0 | 0 | 0 | 112.1 | L253 L311 M316 T319 L321 I342 R352 E353 C358 R359 | L253-W355 HydrophobicContact CD1-CH2 4.34Å; L253-W355 HydrophobicContact CD1-CZ3 4.04Å; L253-W355 HydrophobicContact CD2-CH2 3.91Å; L253-W355 HydrophobicContact CD2-CZ3 3.83Å; L311-W355 HydrophobicContact CD2-CH2 4.02Å; L311-W355 HydrophobicContact CD2-CZ2 4.46Å; M316-W355 WeakPolarHBondContact O-CZ2 3.23Å; M316-W355 PolarHBondContact O-NE1 2.8Å; T319-W355 HydrophobicContact CG2-CH2 3.95Å; T319-W355 HydrophobicContact CG2-CZ2 4.24Å; T319-W355 WeakPolarHBondContact O-CZ2 3.07Å; L321-W355 HydrophobicContact CD1-CZ3 4.34Å; L321-W355 HydrophobicContact CG-CZ3 4.22Å; I342-W355 HydrophobicContact CG2-CB 4.05Å; I342-W355 HydrophobicContact CG2-CE3 3.81Å; R352-W355 PolarHBondContact O-N 2.71Å; E353-W355 VanDerWaalsContact C-N 3.25Å; E353-W355 PolarHBondContact O-N 3.16Å; W355-C358 WeakPolarHBondContact O-CB 3.41Å; W355-C358 PolarHBondContact O-N 2.79Å; W355-R359 PolarHBondContact O-N 2.76Å |
| 356 | M | 89.6 | Confident | 76.4 | Confident | 89 Ų | 89 | 66.5 Ų | 66.5 | 44% | 0.438 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.9 | -47.1 | 175.7 | -73.5 | -173.9 | -71.7 | 0 | 0 | 111.4 | R352 E353 C358 R359 Y360 | R352-M356 HydrophobicContact CB-CE 4.22Å; R352-M356 WeakPolarHBondContact O-CG 3.43Å; R352-M356 PolarHBondContact O-N 2.79Å; E353-M356 HydrophobicContact CG-CE 4.1Å; E353-M356 PolarHBondContact O-N 2.85Å; M356-C358 VanDerWaalsContact C-N 3.3Å; M356-C358 PolarHBondContact O-N 3.06Å; M356-R359 WeakPolarHBondContact O-CA 3.35Å; M356-R359 WeakPolarHBondContact O-CB 3.2Å; M356-R359 PolarHBondContact O-N 2.82Å; M356-Y360 HydrophobicContact CB-CD2 4.45Å; M356-Y360 HydrophobicContact CB-CE2 4.2Å; M356-Y360 WeakPolarHBondContact O-CD2 3.4Å; M356-Y360 PolarHBondContact O-N 2.87Å |
| 357 | N | 86.2 | Confident | 74 | Confident | 65 Ų | 65 | 69.8 Ų | 69.8 | 35% | 0.348 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.4 | -41.3 | 178.7 | -69.4 | -9.7 | 0 | 0 | 0 | 111.4 | E353 R359 Y360 F361 | E353-N357 WeakPolarHBondContact O-CB 3.12Å; E353-N357 VanDerWaalsContact O-CG 3.23Å; E353-N357 PolarHBondContact O-N 3.2Å; N357-R359 PolarHBondContact O-N 2.91Å; N357-Y360 PolarHBondContact O-N 2.81Å; N357-Y360 VanDerWaalsContact O-N 3.14Å; N357-F361 HydrophobicContact CB-CD2 4.43Å; N357-F361 HydrophobicContact CB-CE2 4.28Å; N357-F361 WeakPolarHBondContact O-CD2 3.33Å; N357-F361 PolarHBondContact O-N 3.21Å |
| 358 | C | 83.2 | Confident | 71.3 | Confident | 2 Ų | 2 | 70.5 Ų | 70.5 | 1% | 0.014 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -54.9 | -37.3 | 174.3 | -179.3 | 0 | 0 | 0 | 0 | 112.4 | V244 K245 F246 Q354 W355 M356 | V244-C358 HydrophobicContact CG1-CB 4.24Å; K245-C358 VanDerWaalsContact C-SG 3.52Å; F246-C358 VanDerWaalsContact CB-SG 3.59Å; F246-C358 PolarHBondContact N-SG 2.82Å; Q354-C358 VanDerWaalsContact O-CB 3.3Å; Q354-C358 WeakPolarHBondContact O-CB 3.48Å; Q354-C358 PolarHBondContact O-N 2.88Å; W355-C358 WeakPolarHBondContact O-CB 3.41Å; W355-C358 PolarHBondContact O-N 2.79Å; M356-C358 VanDerWaalsContact C-N 3.3Å; M356-C358 PolarHBondContact O-N 3.06Å |
| 359 | R | 71.4 | Confident | 68.9 | Low | 141 Ų | 141 | 73.8 Ų | 73.8 | 53% | 0.532 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -72.5 | -45.2 | 175.6 | -173.9 | -178.7 | 174.5 | 177.1 | -0.4 | 112.1 | W355 M356 N357 F361 T362 D363 | W355-R359 PolarHBondContact O-N 2.76Å; M356-R359 WeakPolarHBondContact O-CA 3.35Å; M356-R359 WeakPolarHBondContact O-CB 3.2Å; M356-R359 PolarHBondContact O-N 2.82Å; N357-R359 PolarHBondContact O-N 2.91Å; R359-F361 PolarHBondContact O-N 2.91Å; R359-T362 PolarHBondContact O-N 3.04Å; R359-T362 VanDerWaalsContact O-N 3.12Å; R359-T362 PolarHBondContact O-OG1 3Å; R359-D363 PolarHBondContact O-N 2.86Å |
| 360 | Y | 62.2 | Low | 66.1 | Low | 139 Ų | 139 | 77.6 Ų | 77.6 | 55% | 0.545 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -68.3 | -34.1 | -177.9 | -71.4 | -65.8 | 0 | 0 | 0 | 113.8 | M356 N357 T362 D363 N364 | M356-Y360 HydrophobicContact CB-CD2 4.45Å; M356-Y360 HydrophobicContact CB-CE2 4.2Å; M356-Y360 WeakPolarHBondContact O-CD2 3.4Å; M356-Y360 PolarHBondContact O-N 2.87Å; N357-Y360 PolarHBondContact O-N 2.81Å; N357-Y360 VanDerWaalsContact O-N 3.14Å; Y360-T362 PolarHBondContact O-N 3Å; Y360-D363 PolarHBondContact O-N 3.43Å; Y360-N364 PolarHBondContact O-N 3.44Å |
| 361 | F | 57.1 | Low | 63.7 | Low | 86 Ų | 86 | 78.7 Ų | 78.7 | 38% | 0.377 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -59.8 | -27 | 173.8 | -82.6 | -66.8 | 0 | 0 | 0 | 112.2 | N357 R359 S365 V377 N378 | N357-F361 HydrophobicContact CB-CD2 4.43Å; N357-F361 HydrophobicContact CB-CE2 4.28Å; N357-F361 WeakPolarHBondContact O-CD2 3.33Å; N357-F361 PolarHBondContact O-N 3.21Å; R359-F361 PolarHBondContact O-N 2.91Å; F361-S365 WeakPolarHBondContact O-CB 3.25Å; F361-S365 PolarHBondContact O-N 3.42Å; F361-S365 PolarHBondContact O-OG 2.97Å; F361-V377 HydrophobicContact CZ-CB 4.36Å; F361-V377 HydrophobicContact CZ-CG1 4.25Å; F361-N378 HydrophobicContact CE2-CB 4.28Å |
| 362 | T | 53.1 | Low | 60.8 | Low | 21 Ų | 21 | 84.6 Ų | 84.6 | 13% | 0.129 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -78.8 | -33.8 | 178.1 | 60.5 | 0 | 0 | 0 | 0 | 114 | F246 P248 R359 Y360 | F246-T362 HydrophobicContact CB-CG2 3.98Å; F246-T362 HydrophobicContact CD1-CG2 4.01Å; F246-T362 HydrophobicContact CG-CG2 4.45Å; F246-T362 WeakPolarHBondContact O-CG2 3.47Å; P248-T362 HydrophobicContact CG-CG2 3.82Å; R359-T362 PolarHBondContact O-N 3.04Å; R359-T362 VanDerWaalsContact O-N 3.12Å; R359-T362 PolarHBondContact O-OG1 3Å; Y360-T362 PolarHBondContact O-N 3Å |
| 363 | D | 53.4 | Low | 58 | Low | 95 Ų | 95 | 87 Ų | 87 | 51% | 0.508 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -72.2 | -32.1 | -180 | -68.1 | -24.1 | 0 | 0 | 0 | 112 | R359 Y360 S366 | R359-D363 PolarHBondContact O-N 2.86Å; Y360-D363 PolarHBondContact O-N 3.43Å; D363-S366 PolarHBondContact O-OG 2.91Å |
| 364 | N | 50.6 | Low | 55.6 | Low | 128 Ų | 128 | 90 Ų | 90 | 68% | 0.684 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -88.1 | -19.4 | -178.7 | -73.7 | -16.7 | 0 | 0 | 0 | 114.2 | Y360 S366 A367 | Y360-N364 PolarHBondContact O-N 3.44Å; N364-S366 PolarHBondContact O-N 3.21Å; N364-A367 PolarHBondContact O-N 3.45Å |
| 365 | S | 49.6 | Very low | 53 | Low | 83 Ų | 83 | 93.3 Ų | 93.3 | 58% | 0.58 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -12 | -179.9 | -62 | 0 | 0 | 0 | 0 | 113.7 | F361 A367 | F361-S365 WeakPolarHBondContact O-CB 3.25Å; F361-S365 PolarHBondContact O-N 3.42Å; F361-S365 PolarHBondContact O-OG 2.97Å; S365-A367 VanDerWaalsContact C-N 3.31Å |
| 366 | S | 47.6 | Very low | 50.8 | Low | 100 Ų | 100 | 98.4 Ų | 98.4 | 70% | 0.699 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | -8.7 | 171.4 | 28.1 | 0 | 0 | 0 | 0 | 114.6 | D363 N364 | D363-S366 PolarHBondContact O-OG 2.91Å; N364-S366 PolarHBondContact O-N 3.21Å |
| 367 | A | 43.7 | Very low | 49.3 | Very low | 74 Ų | 74 | 98.6 Ų | 98.6 | 61% | 0.612 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -100.1 | 109.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | N364 S365 S369 | N364-A367 PolarHBondContact O-N 3.45Å; S365-A367 VanDerWaalsContact C-N 3.31Å; A367-S369 PolarHBondContact O-N 3.11Å |
| 368 | G | 32.6 | Very low | 48.6 | Very low | 89 Ų | 89 | 96.4 Ų | 96.4 | 92% | 0.918 | 57% | 0.57 | S | S | * | * | trans | -51.5 | 108.8 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 369 | S | 36.4 | Very low | 48.5 | Very low | 97 Ų | 97 | 97 Ų | 97 | 68% | 0.678 | 58% | 0.576 | S | S | * | * | trans | -138.7 | 111.2 | 159 | -168.4 | 0 | 0 | 0 | 0 | 108.8 | A367 S371 | A367-S369 PolarHBondContact O-N 3.11Å; S369-S371 PolarHBondContact O-N 3.35Å; S369-S371 VanDerWaalsContact O-N 3.1Å | ||
| 370 | Q | 29.1 | Very low | 49.2 | Very low | 206 Ų | 206 | 91.9 Ų | 91.9 | 96% | 0.963 | 56% | 0.559 | S | S | * | * | trans | -71.7 | 96.1 | 173.6 | -69.6 | 177.7 | -6.1 | 0 | 0 | 108.3 | ||||
| 371 | S | 33.3 | Very low | 50.2 | Low | 72 Ų | 72 | 85.7 Ų | 85.7 | 50% | 0.503 | 53% | 0.534 | S | S | . | . | trans | -129.6 | 111.6 | 167.7 | 173.9 | 0 | 0 | 0 | 0 | 109.1 | S369 N373 H374 | S369-S371 PolarHBondContact O-N 3.35Å; S369-S371 VanDerWaalsContact O-N 3.1Å; S371-N373 PolarHBondContact O-N 3.26Å; S371-H374 PolarHBondContact O-CD2 2.67Å | ||
| 372 | S | 30.6 | Very low | 51.7 | Low | 124 Ų | 124 | 81.8 Ų | 81.8 | 87% | 0.867 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | 32.5 | -165.7 | 50 | 0 | 0 | 0 | 0 | 115.7 | ||
| 373 | N | 34.4 | Very low | 53.3 | Low | 145 Ų | 145 | 82.8 Ų | 82.8 | 78% | 0.775 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.4 | 19.8 | 178.5 | -94.5 | -5.2 | 0 | 0 | 0 | 115.1 | S371 G375 | S371-N373 PolarHBondContact O-N 3.26Å; N373-G375 PolarHBondContact O-N 2.9Å |
| 374 | H | 39.5 | Very low | 55.1 | Low | 118 Ų | 118 | 78.8 Ų | 78.8 | 55% | 0.546 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | 14.5 | -169.9 | -95.8 | -69.2 | 0 | 0 | 0 | 118.1 | S371 | S371-H374 PolarHBondContact O-CD2 2.67Š|
| 375 | G | 35.5 | Very low | 57 | Low | 71 Ų | 71 | 74.5 Ų | 74.5 | 73% | 0.732 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -23.8 | -165.7 | 0 | 0 | 0 | 0 | 0 | 118 | N373 | N373-G375 PolarHBondContact O-N 2.9Š|
| 376 | L | 48.3 | Very low | 58.9 | Low | 122 Ų | 122 | 73.9 Ų | 73.9 | 64% | 0.639 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -138.7 | 11.4 | -161.8 | -82.3 | 154.8 | 0 | 0 | 0 | 115.5 | Y243 N378 | Y243-L376 HydrophobicContact CD1-CD2 3.83Å; Y243-L376 HydrophobicContact CE1-CB 4.33Å; Y243-L376 HydrophobicContact CE1-CD2 3.38Å; Y243-L376 HydrophobicContact CE1-CG 4.47Å; Y243-L376 WeakPolarHBondContact CE1-O 3.26Å; Y243-L376 HydrophobicContact CE2-CD2 4.32Å; Y243-L376 HydrophobicContact CG-CD2 4.49Å; L376-N378 VanDerWaalsContact C-N 3.29Å; L376-N378 PolarHBondContact O-N 2.67Å |
| 377 | V | 57.2 | Low | 60.9 | Low | 93 Ų | 93 | 72.3 Ų | 72.3 | 56% | 0.564 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -3 | -166.2 | -153.8 | 0 | 0 | 0 | 0 | 114.8 | F361 | F361-V377 HydrophobicContact CZ-CB 4.36Å; F361-V377 HydrophobicContact CZ-CG1 4.25Å |
| 378 | N | 71.8 | Confident | 63.2 | Low | 19 Ų | 19 | 68.9 Ų | 68.9 | 10% | 0.102 | 43% | 0.43 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.8 | 36.6 | 178.3 | -162.3 | 25.8 | 0 | 0 | 0 | 113 | Y243 V244 Q354 F361 L376 | Y243-N378 WeakPolarHBondContact CA-O 3.46Å; V244-N378 PolarHBondContact O-ND2 3.33Å; Q354-N378 PolarHBondContact NE2-O 3.49Å; Q354-N378 PolarHBondContact O-ND2 2.81Å; F361-N378 HydrophobicContact CE2-CB 4.28Å; L376-N378 VanDerWaalsContact C-N 3.29Å; L376-N378 PolarHBondContact O-N 2.67Å |
| 379 | G | 81.3 | Confident | 66 | Low | 14 Ų | 14 | 65.8 Ų | 65.8 | 14% | 0.144 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 125.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | L242 Y243 | L242-G379 WeakPolarHBondContact O-CA 3.2Å; Y243-G379 VanDerWaalsContact CD1-N 3.3Å |
| 380 | M | 85 | Confident | 68.3 | Low | 34 Ų | 34 | 67.2 Ų | 67.2 | 17% | 0.167 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 137.9 | 176.6 | -169.5 | 175.2 | -72.5 | 0 | 0 | 110.4 | L242 E350 E353 Q354 H382 | L242-M380 PolarHBondContact N-O 2.87Å; L242-M380 PolarHBondContact O-N 3.06Å; E350-M380 HydrophobicContact CB-SD 3.78Å; E353-M380 HydrophobicContact CB-CE 4.45Å; Q354-M380 HydrophobicContact CB-CB 4.45Å; Q354-M380 HydrophobicContact CB-CE 4.21Å; Q354-M380 HydrophobicContact CB-SD 3.8Å; Q354-M380 HydrophobicContact CG-CB 4.18Å; M380-H382 PolarHBondContact O-CD2 3.46Å |
| 381 | W | 84.5 | Confident | 71 | Confident | 9 Ų | 9 | 63 Ų | 63 | 3% | 0.034 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 138.9 | 171.7 | -73.8 | 96 | 0 | 0 | 0 | 111.7 | M187 R210 D239 I240 L241 R259 | M187-W381 HydrophobicContact CE-CH2 3.75Å; M187-W381 HydrophobicContact CE-CZ2 3.92Å; M187-W381 HydrophobicContact CE-CZ3 4.3Å; M187-W381 HydrophobicContact CG-CZ2 4.12Å; M187-W381 HydrophobicContact SD-CD2 4.1Å; M187-W381 HydrophobicContact SD-CE3 4.37Å; M187-W381 HydrophobicContact SD-CH2 3.9Å; M187-W381 HydrophobicContact SD-CZ2 3.58Å; M187-W381 VanDerWaalsContact SD-CZ2 3.58Å; M187-W381 HydrophobicContact SD-CZ3 4.29Å; R210-W381 HydrophobicContact CB-CG 4.32Å; R210-W381 HydrophobicContact CG-CG 4.24Å; D239-W381 HydrophobicContact CB-CE3 3.75Å; D239-W381 HydrophobicContact CB-CZ3 4.08Å; I240-W381 VanDerWaalsContact C-CE3 3.43Å; I240-W381 CarbonylContact O-C 3.56Å; I240-W381 WeakPolarHBondContact O-CA 3.38Å; L241-W381 HydrophobicContact CB-CD2 3.8Å; L241-W381 HydrophobicContact CB-CE3 3.8Å; L241-W381 HydrophobicContact CB-CH2 3.94Å; L241-W381 HydrophobicContact CB-CZ2 3.92Å; L241-W381 HydrophobicContact CB-CZ3 3.87Å; L241-W381 HydrophobicContact CD1-CD2 4.28Å; L241-W381 HydrophobicContact CD1-CG 4.2Å; L241-W381 HydrophobicContact CD2-CZ2 4.13Å; R259-W381 HydrophobicContact CG-CH2 3.84Å; R259-W381 HydrophobicContact CG-CZ2 4.37Å |
| 382 | H | 87.9 | Confident | 73.7 | Confident | 3 Ų | 3 | 59.8 Ų | 59.8 | 1% | 0.014 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 124.6 | 173 | -65.8 | -94.1 | 0 | 0 | 0 | 109.5 | D239 I240 C340 Q354 M380 | D239-H382 CarbonylContact C-O 3.57Å; D239-H382 VanDerWaalsContact CA-O 3.3Å; D239-H382 WeakPolarHBondContact CA-O 3.33Å; I240-H382 HydrophobicContact CG2-CB 4.02Å; I240-H382 PolarHBondContact N-O 2.91Å; I240-H382 PolarHBondContact O-N 3.48Å; C340-H382 HydrophobicContact CB-CB 3.84Å; Q354-H382 PolarHBondContact OE1-NE2 2.89Å; M380-H382 PolarHBondContact O-CD2 3.46Å |
| 383 | S | 86.4 | Confident | 76.2 | Confident | 43 Ų | 43 | 59 Ų | 59 | 30% | 0.301 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 131.8 | 166.6 | -62.7 | 0 | 0 | 0 | 0 | 109.9 | R210 D239 | R210-S383 PolarHBondContact NH2-OG 3.03Å; R210-S383 VanDerWaalsContact NH2-OG 3.12Å; D239-S383 WeakPolarHBondContact OD1-CA 3.38Å; D239-S383 WeakPolarHBondContact OD1-CB 3.2Å; D239-S383 PolarHBondContact OD1-OG 2.99Å |
| 384 | L | 91.2 | Very high | 78 | Confident | 10 Ų | 10 | 62.8 Ų | 62.8 | 5% | 0.052 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -77.3 | 131.1 | -175.8 | -65 | 172.1 | 0 | 0 | 0 | 110.3 | Y237 G238 I240 L263 V325 | Y237-L384 WeakPolarHBondContact O-CD1 3.26Å; G238-L384 VanDerWaalsContact O-CB 3.28Å; G238-L384 WeakPolarHBondContact O-CB 3.13Å; G238-L384 WeakPolarHBondContact O-CG 3.27Å; G238-L384 PolarHBondContact O-N 3.39Å; I240-L384 HydrophobicContact CB-CD2 4.32Å; I240-L384 HydrophobicContact CG2-CD2 3.72Å; I240-L384 HydrophobicContact CG2-CG 4.45Å; L263-L384 HydrophobicContact CD2-CD1 3.67Å; V325-L384 HydrophobicContact CB-CD1 4.12Å; V325-L384 HydrophobicContact CG2-CD1 3.71Å; V325-L384 HydrophobicContact CG2-CD2 3.77Å; V325-L384 HydrophobicContact CG2-CG 4.43Å |
| 385 | L | 90.4 | Very high | 79.5 | Confident | 38 Ų | 38 | 57.7 Ų | 57.7 | 20% | 0.199 | 31% | 0.313 | C | S | . | . | B | Isolated β-bridge | trans | -76.6 | 148.3 | 171.4 | -57.7 | 174.6 | 0 | 0 | 0 | 110 | G338 C339 V347 T348 D387 P389 | G338-L385 CarbonylContact C-O 3.54Å; G338-L385 VanDerWaalsContact CA-O 3.25Å; G338-L385 WeakPolarHBondContact CA-O 3.41Å; C339-L385 PolarHBondContact N-O 3.33Å; C339-L385 VanDerWaalsContact O-CB 3.32Å; C339-L385 WeakPolarHBondContact O-CB 3.32Å; C339-L385 PolarHBondContact O-N 2.86Å; V347-L385 HydrophobicContact CG2-CD1 3.57Å; T348-L385 HydrophobicContact CG2-CD2 4.34Å; L385-D387 PolarHBondContact O-N 3Å; L385-P389 HydrophobicContact CD1-CG 3.78Å |
| 386 | P | 89.3 | Confident | 80.5 | Confident | 71 Ų | 71 | 55.2 Ų | 55.2 | 46% | 0.461 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -55.9 | -37.9 | 178.5 | 19.1 | -33.6 | 0 | 0 | 0 | 114 | Y237 | Y237-P386 HydrophobicContact CD2-CB 4.07Å; Y237-P386 HydrophobicContact CE1-CB 3.93Å; Y237-P386 VanDerWaalsContact CE2-CA 3.48Å; Y237-P386 HydrophobicContact CE2-CB 3.36Å; Y237-P386 HydrophobicContact CE2-CG 4.2Å; Y237-P386 VanDerWaalsContact CZ-CA 3.41Å; Y237-P386 WeakPolarHBondContact OH-CB 3.01Å |
| 387 | D | 90.5 | Very high | 80.7 | Confident | 66 Ų | 66 | 60.1 Ų | 60.1 | 35% | 0.353 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -157.1 | 163.5 | -174.9 | -168.9 | 11.1 | 0 | 0 | 0 | 109.2 | C339 L385 P389 R393 | C339-D387 PolarHBondContact SG-O 3.17Å; C339-D387 VanDerWaalsContact SG-O 3.41Å; L385-D387 PolarHBondContact O-N 3Å; D387-P389 WeakPolarHBondContact O-CD 3.31Å; D387-R393 IonicContact OD2-CZ 2.74Å; D387-R393 IonicContact OD2-NE 2.59Å; D387-R393 PolarHBondContact OD2-NE 3.42Å; D387-R393 IonicContact OD2-NH2 3.36Å; D387-R393 PolarHBondContact OD2-NH2 3.24Å |
| 388 | V | 92.4 | Very high | 81.8 | Confident | 3 Ų | 3 | 58.5 Ų | 58.5 | 2% | 0.018 | 29% | 0.289 | C | S | . | . | trans | -60.2 | 125.1 | 176.6 | -176.8 | 0 | 0 | 0 | 0 | 109.2 | L322 K324 F392 R393 | L322-V388 HydrophobicContact CD1-CG1 4.19Å; L322-V388 HydrophobicContact CD1-CG2 4.29Å; L322-V388 HydrophobicContact CD2-CG1 3.85Å; L322-V388 HydrophobicContact CD2-CG2 4.17Å; K324-V388 HydrophobicContact CD-CG2 4.46Å; K324-V388 VanDerWaalsContact CE-CG2 3.4Å; V388-F392 HydrophobicContact CG1-CB 3.5Å; V388-R393 HydrophobicContact CB-CG 4.07Å; V388-R393 HydrophobicContact CG1-CG 4.15Å; V388-R393 WeakPolarHBondContact O-CG 3.36Å; V388-R393 PolarHBondContact O-NE 2.97Å | ||
| 389 | P | 90 | Very high | 82.4 | Confident | 24 Ų | 24 | 60.6 Ų | 60.6 | 16% | 0.156 | 30% | 0.299 | C | S | . | . | trans | -53.6 | 148 | 174.9 | -30.4 | 38.3 | 0 | 0 | 0 | 112.7 | I341 V347 L385 D387 D391 F392 R393 | I341-P389 HydrophobicContact CD1-CB 4.3Å; I341-P389 HydrophobicContact CD1-CG 3.63Å; V347-P389 HydrophobicContact CG1-CB 3.99Å; V347-P389 HydrophobicContact CG1-CG 3.97Å; V347-P389 HydrophobicContact CG2-CG 3.99Å; L385-P389 HydrophobicContact CD1-CG 3.78Å; D387-P389 WeakPolarHBondContact O-CD 3.31Å; P389-D391 VanDerWaalsContact C-N 3.26Å; P389-D391 PolarHBondContact O-N 3.42Å; P389-D391 VanDerWaalsContact O-N 3.15Å; P389-F392 HydrophobicContact CB-CD2 4.18Å; P389-F392 WeakPolarHBondContact O-CA 3.49Å; P389-F392 PolarHBondContact O-N 3.07Å; P389-R393 PolarHBondContact O-N 3.4Å; P389-R393 VanDerWaalsContact O-N 3.12Å | ||
| 390 | L | 86.5 | Confident | 82.4 | Confident | 126 Ų | 126 | 63.2 Ų | 63.2 | 66% | 0.66 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -52.1 | -42.7 | -170.2 | -73.5 | 171.2 | 0 | 0 | 0 | 113.2 | F392 R393 | L390-F392 PolarHBondContact O-N 3.27Å; L390-R393 PolarHBondContact O-N 3.08Å |
| 391 | D | 84.6 | Confident | 82.3 | Confident | 118 Ų | 118 | 64.9 Ų | 64.9 | 63% | 0.631 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -64.7 | -22.5 | -178.9 | -58.4 | -34.7 | 0 | 0 | 0 | 112.9 | P389 C395 | P389-D391 VanDerWaalsContact C-N 3.26Å; P389-D391 PolarHBondContact O-N 3.42Å; P389-D391 VanDerWaalsContact O-N 3.15Å; D391-C395 PolarHBondContact O-SG 3.44Å |
| 392 | F | 89.7 | Confident | 82.1 | Confident | 4 Ų | 4 | 68.4 Ų | 68.4 | 2% | 0.018 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -99.8 | -15.8 | -179.9 | -67.6 | -96.9 | 0 | 0 | 0 | 113.2 | L281 N320 I341 D345 V388 P389 L390 R394 C395 A396 | L281-F392 HydrophobicContact CD1-CD1 3.58Å; L281-F392 HydrophobicContact CD1-CE1 4.12Å; N320-F392 HydrophobicContact CB-CE1 3.88Å; I341-F392 HydrophobicContact CD1-CD1 4.14Å; I341-F392 HydrophobicContact CD1-CD2 3.52Å; I341-F392 HydrophobicContact CD1-CE1 4.17Å; I341-F392 HydrophobicContact CD1-CE2 3.55Å; I341-F392 HydrophobicContact CD1-CG 3.83Å; I341-F392 HydrophobicContact CD1-CZ 3.87Å; I341-F392 HydrophobicContact CG1-CD1 4.4Å; I341-F392 HydrophobicContact CG1-CE1 4.39Å; I341-F392 HydrophobicContact CG1-CG 4.49Å; I341-F392 HydrophobicContact CG1-CZ 4.46Å; I341-F392 HydrophobicContact CG2-CE1 3.86Å; I341-F392 HydrophobicContact CG2-CZ 3.82Å; D345-F392 HydrophobicContact CB-CE2 4.49Å; D345-F392 HydrophobicContact CB-CZ 3.83Å; V388-F392 HydrophobicContact CG1-CB 3.5Å; P389-F392 HydrophobicContact CB-CD2 4.18Å; P389-F392 WeakPolarHBondContact O-CA 3.49Å; P389-F392 PolarHBondContact O-N 3.07Å; L390-F392 PolarHBondContact O-N 3.27Å; F392-R394 VanDerWaalsContact C-N 3.33Å; F392-R394 PolarHBondContact O-N 2.95Å; F392-C395 WeakPolarHBondContact O-CB 3.45Å; F392-C395 PolarHBondContact O-N 3.17Å; F392-C395 VanDerWaalsContact O-N 3.16Å; F392-A396 WeakPolarHBondContact O-CB 3.11Å; F392-A396 PolarHBondContact O-N 3.45Å; F392-A396 VanDerWaalsContact O-N 3.09Å |
| 393 | R | 83.2 | Confident | 81.8 | Confident | 108 Ų | 108 | 72.7 Ų | 72.7 | 41% | 0.408 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.2 | -37.5 | -178.6 | -72.6 | -172.7 | -176.4 | 171.1 | -4.3 | 112.8 | D387 V388 P389 L390 C395 A396 | D387-R393 IonicContact OD2-CZ 2.74Å; D387-R393 IonicContact OD2-NE 2.59Å; D387-R393 PolarHBondContact OD2-NE 3.42Å; D387-R393 IonicContact OD2-NH2 3.36Å; D387-R393 PolarHBondContact OD2-NH2 3.24Å; V388-R393 HydrophobicContact CB-CG 4.07Å; V388-R393 HydrophobicContact CG1-CG 4.15Å; V388-R393 WeakPolarHBondContact O-CG 3.36Å; V388-R393 PolarHBondContact O-NE 2.97Å; P389-R393 PolarHBondContact O-N 3.4Å; P389-R393 VanDerWaalsContact O-N 3.12Å; L390-R393 PolarHBondContact O-N 3.08Å; R393-C395 PolarHBondContact O-N 3.47Å; R393-A396 PolarHBondContact O-N 3.32Å |
| 394 | R | 73.4 | Confident | 81.4 | Confident | 225 Ų | 225 | 74.9 Ų | 74.9 | 85% | 0.849 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -68.8 | -27.3 | 178.3 | -66.1 | -175.2 | -178.5 | -170.3 | 1.5 | 112.1 | F392 | F392-R394 VanDerWaalsContact C-N 3.33Å; F392-R394 PolarHBondContact O-N 2.95Å |
| 395 | C | 71 | Confident | 80.7 | Confident | 11 Ų | 11 | 79.8 Ų | 79.8 | 7% | 0.074 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -83.9 | -23.9 | -178.6 | -40.5 | 0 | 0 | 0 | 0 | 112.2 | L281 H284 D391 F392 R393 | L281-C395 HydrophobicContact CD1-CB 4.18Å; L281-C395 HydrophobicContact CD2-CB 3.97Å; H284-C395 VanDerWaalsContact CB-SG 3.51Å; H284-C395 WeakPolarHBondContact O-CB 3.31Å; H284-C395 PolarHBondContact O-SG 3.43Å; D391-C395 PolarHBondContact O-SG 3.44Å; F392-C395 WeakPolarHBondContact O-CB 3.45Å; F392-C395 PolarHBondContact O-N 3.17Å; F392-C395 VanDerWaalsContact O-N 3.16Å; R393-C395 PolarHBondContact O-N 3.47Å |
| 396 | A | 56.1 | Low | 79.9 | Confident | 19 Ų | 19 | 83.3 Ų | 83.3 | 16% | 0.157 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -93.6 | -13.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L322 F392 R393 | L322-A396 HydrophobicContact CD2-CB 3.74Å; F392-A396 WeakPolarHBondContact O-CB 3.11Å; F392-A396 PolarHBondContact O-N 3.45Å; F392-A396 VanDerWaalsContact O-N 3.09Å; R393-A396 PolarHBondContact O-N 3.32Å |
| 397 | K | 51.8 | Low | 79 | Confident | 225 Ų | 225 | 84.5 Ų | 84.5 | 98% | 0.978 | 39% | 0.391 | S | S | * | . | trans | -79.7 | 0 | 167.2 | -69.1 | -174.3 | 179.4 | -176.2 | 0 | 108.7 |
Retrieved 397 of 397 residues in 616.8 ms
(Link to these results)