| 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 | 24.9 | Very low | 26.5 | Very low | 250 Ų | 250 | 151.8 Ų | 151.8 | 100% | 1.232 | 85% | 0.85 | S | S | * | * | 0 | 115.8 | 0 | -154.6 | 168.1 | 176.5 | 0 | 0 | 105.7 | |||||
| 2 | L | 31.7 | Very low | 26.2 | Very low | 153 Ų | 153 | 154.2 Ų | 154.2 | 80% | 0.801 | 85% | 0.853 | S | S | * | * | trans | -60.8 | 150.6 | -168.7 | -99.6 | 80.7 | 0 | 0 | 0 | 113.8 | ||||
| 3 | F | 24.4 | Very low | 26.1 | Very low | 196 Ų | 196 | 154.8 Ų | 154.8 | 86% | 0.86 | 85% | 0.854 | S | S | * | * | -178.1 | 135 | 104.6 | -100.2 | -78.1 | 0 | 0 | 0 | 111 | |||||
| 4 | V | 28.7 | Very low | 26.1 | Very low | 130 Ų | 130 | 152.1 Ų | 152.1 | 79% | 0.788 | 84% | 0.844 | S | S | * | * | trans | -94 | 138.7 | 166.5 | 171.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 5 | L | 25 | Very low | 26.1 | Very low | 174 Ų | 174 | 150.5 Ų | 150.5 | 91% | 0.911 | 83% | 0.832 | S | S | * | * | trans | -139.4 | 132.1 | 156.1 | -87.1 | 168 | 0 | 0 | 0 | 108.1 | ||||
| 6 | A | 28.6 | Very low | 26.1 | Very low | 89 Ų | 89 | 153.4 Ų | 153.4 | 74% | 0.736 | 83% | 0.828 | S | S | * | * | trans | -94.9 | 152.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 7 | S | 24.9 | Very low | 26.3 | Very low | 108 Ų | 108 | 148 Ų | 148 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | 158.9 | 127.7 | 135.7 | 57.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 8 | D | 24.6 | Very low | 26.3 | Very low | 152 Ų | 152 | 147.5 Ų | 147.5 | 81% | 0.813 | 81% | 0.811 | S | S | * | * | trans | 48.3 | 124 | 151.8 | -55.6 | -22.8 | 0 | 0 | 0 | 123.2 | ||||
| 9 | I | 29.1 | Very low | 26.2 | Very low | 175 Ų | 175 | 144.2 Ų | 144.2 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | -172.9 | 141.4 | 129.6 | -94.3 | 156.1 | 0 | 0 | 0 | 112.1 | |||||
| 10 | V | 25.3 | Very low | 26.2 | Very low | 126 Ų | 126 | 144.3 Ų | 144.3 | 76% | 0.764 | 79% | 0.793 | S | S | * | * | trans | -79.1 | 151.6 | -177.4 | 166.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 11 | C | 23.6 | Very low | 26.2 | Very low | 117 Ų | 117 | 146.4 Ų | 146.4 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | trans | 90.1 | 138.4 | 152.2 | -93.5 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 12 | M | 23.5 | Very low | 26.2 | Very low | 180 Ų | 180 | 139 Ų | 139 | 89% | 0.887 | 77% | 0.767 | S | S | * | * | trans | 96.3 | 104.4 | 153.1 | -76.5 | -172.9 | 147.1 | 0 | 0 | 119.5 | V14 | M12-V14 PolarHBondContact O-N 3.22Š| ||
| 13 | N | 25.2 | Very low | 25.9 | Very low | 162 Ų | 162 | 142.9 Ų | 142.9 | 87% | 0.866 | 77% | 0.771 | S | S | * | * | trans | 4.5 | 107.6 | 141.7 | -74.6 | -23.4 | 0 | 0 | 0 | 115.6 | ||||
| 14 | V | 25.2 | Very low | 26.1 | Very low | 118 Ų | 118 | 138.1 Ų | 138.1 | 72% | 0.715 | 76% | 0.758 | S | S | * | * | -167.2 | 115.4 | 126.2 | 174.7 | 0 | 0 | 0 | 0 | 107.6 | M12 Y16 | M12-V14 PolarHBondContact O-N 3.22Å; V14-Y16 HydrophobicContact CG1-CD2 3.72Å; V14-Y16 HydrophobicContact CG1-CE2 3.7Å | |||
| 15 | L | 26.8 | Very low | 25.9 | Very low | 127 Ų | 127 | 141.2 Ų | 141.2 | 67% | 0.665 | 76% | 0.761 | S | S | * | * | trans | -74.7 | 121.2 | 170.3 | -95.2 | 153.6 | 0 | 0 | 0 | 110.9 | V45 | L15-V45 HydrophobicContact CD1-CG1 4.17Å; L15-V45 HydrophobicContact CD1-CG2 3.93Å; L15-V45 HydrophobicContact CD2-CB 4.08Å; L15-V45 HydrophobicContact CD2-CG1 4.19Å; L15-V45 HydrophobicContact CD2-CG2 3.35Å; L15-V45 HydrophobicContact CG-CG2 4.09Å | ||
| 16 | Y | 25.7 | Very low | 26.2 | Very low | 198 Ų | 198 | 137.4 Ų | 137.4 | 78% | 0.776 | 74% | 0.741 | S | S | * | * | trans | -127.4 | 122.3 | 161.7 | -88.5 | -81.1 | 0 | 0 | 0 | 108.1 | V14 | V14-Y16 HydrophobicContact CG1-CD2 3.72Å; V14-Y16 HydrophobicContact CG1-CE2 3.7Å | ||
| 17 | P | 30 | Very low | 26.1 | Very low | 61 Ų | 61 | 139.7 Ų | 139.7 | 40% | 0.396 | 74% | 0.74 | S | S | . | * | trans | -92.1 | 125 | 167.8 | 14.7 | 2.3 | 0 | 0 | 0 | 110.1 | E1281 | P17-E1281 HydrophobicContact CG-CB 4.34Å; P17-E1281 HydrophobicContact CG-CG 3.58Å; P17-E1281 WeakPolarHBondContact CG-OE1 3.19Å | ||
| 18 | C | 25.3 | Very low | 26.1 | Very low | 139 Ų | 139 | 141.6 Ų | 141.6 | 94% | 0.939 | 74% | 0.736 | S | S | * | * | trans | -83.9 | 108.5 | 162.8 | -84.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 19 | S | 25.9 | Very low | 26.3 | Very low | 85 Ų | 85 | 140.9 Ų | 140.9 | 59% | 0.594 | 73% | 0.732 | S | S | * | * | trans | -118.2 | 69.9 | 174.5 | 55.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 20 | H | 25.7 | Very low | 26.3 | Very low | 145 Ų | 145 | 138.6 Ų | 138.6 | 67% | 0.671 | 72% | 0.717 | S | S | * | * | trans | -149.6 | 80 | 167.3 | -103.7 | 32.2 | 0 | 0 | 0 | 111.5 | ||||
| 21 | F | 25.9 | Very low | 26.6 | Very low | 190 Ų | 190 | 138.1 Ų | 138.1 | 83% | 0.833 | 72% | 0.715 | S | S | * | * | trans | -153.3 | 67.9 | 155.5 | -100.8 | -73.8 | 0 | 0 | 0 | 111.1 | ||||
| 22 | S | 25.3 | Very low | 26.9 | Very low | 94 Ų | 94 | 138.9 Ų | 138.9 | 66% | 0.657 | 71% | 0.71 | S | S | * | * | trans | -117.6 | 68.3 | 168.8 | -63.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 23 | R | 24.8 | Very low | 27.3 | Very low | 234 Ų | 234 | 138.5 Ų | 138.5 | 88% | 0.883 | 71% | 0.708 | S | S | * | * | trans | 179.1 | 75.5 | 153.8 | -101.6 | 178 | -172.7 | -168.3 | 4.5 | 107.9 | K25 | R23-K25 PolarHBondContact O-N 3.11Š| ||
| 24 | V | 28.4 | Very low | 27.8 | Very low | 96 Ų | 96 | 134.9 Ų | 134.9 | 58% | 0.582 | 70% | 0.696 | S | S | * | * | trans | -74.1 | 87.4 | 159.9 | -177.2 | 0 | 0 | 0 | 0 | 107 | L26 | V24-L26 VanDerWaalsContact C-N 3.26Å; V24-L26 HydrophobicContact CG1-CB 3.98Å; V24-L26 HydrophobicContact CG1-CD1 3.5Å; V24-L26 VanDerWaalsContact CG1-CD1 3.5Å; V24-L26 HydrophobicContact CG1-CG 3.65Å; V24-L26 PolarHBondContact O-N 3.49Å | ||
| 25 | K | 25.9 | Very low | 28.6 | Very low | 195 Ų | 195 | 133 Ų | 133 | 85% | 0.848 | 68% | 0.681 | S | S | * | * | trans | -80 | 85.4 | 161.5 | -153.7 | 178.9 | -171.5 | -176.6 | 0 | 105.6 | R23 I27 | R23-K25 PolarHBondContact O-N 3.11Å; K25-I27 PolarHBondContact O-N 3.28Å; K25-I27 VanDerWaalsContact O-N 3.13Å | ||
| 26 | L | 29.8 | Very low | 28.9 | Very low | 95 Ų | 95 | 130.4 Ų | 130.4 | 50% | 0.497 | 67% | 0.673 | S | S | . | * | trans | -70.2 | 110.6 | -178.3 | -120.9 | 151.3 | 0 | 0 | 0 | 108.9 | V24 W37 | V24-L26 VanDerWaalsContact C-N 3.26Å; V24-L26 HydrophobicContact CG1-CB 3.98Å; V24-L26 HydrophobicContact CG1-CD1 3.5Å; V24-L26 VanDerWaalsContact CG1-CD1 3.5Å; V24-L26 HydrophobicContact CG1-CG 3.65Å; V24-L26 PolarHBondContact O-N 3.49Å; L26-W37 HydrophobicContact CD1-CD2 4.29Å; L26-W37 HydrophobicContact CD1-CE3 4.19Å; L26-W37 HydrophobicContact CD1-CH2 3.66Å; L26-W37 HydrophobicContact CD1-CZ2 3.69Å; L26-W37 HydrophobicContact CD1-CZ3 3.89Å; L26-W37 HydrophobicContact CD2-CH2 3.44Å; L26-W37 VanDerWaalsContact CD2-CH2 3.44Å; L26-W37 HydrophobicContact CD2-CZ2 3.45Å; L26-W37 VanDerWaalsContact CD2-CZ2 3.45Å; L26-W37 HydrophobicContact CD2-CZ3 4.4Å; L26-W37 HydrophobicContact CG-CH2 4.09Å; L26-W37 HydrophobicContact CG-CZ2 4.22Å | ||
| 27 | I | 26.4 | Very low | 29.7 | Very low | 137 Ų | 137 | 125.6 Ų | 125.6 | 70% | 0.703 | 65% | 0.654 | S | S | * | * | trans | -61.4 | 137.8 | -178.8 | -65.3 | 166.5 | 0 | 0 | 0 | 108.8 | K25 L29 | K25-I27 PolarHBondContact O-N 3.28Å; K25-I27 VanDerWaalsContact O-N 3.13Å; I27-L29 PolarHBondContact O-N 3.42Å | ||
| 28 | H | 26.4 | Very low | 29.9 | Very low | 147 Ų | 147 | 127.7 Ų | 127.7 | 68% | 0.681 | 66% | 0.658 | S | S | * | * | trans | -50.7 | 104.7 | 168.3 | -90.1 | 33.3 | 0 | 0 | 0 | 110.1 | ||||
| 29 | L | 28.5 | Very low | 30.5 | Very low | 137 Ų | 137 | 125.6 Ų | 125.6 | 72% | 0.717 | 64% | 0.637 | S | S | * | * | trans | -91.9 | 98.9 | 161.3 | -105.5 | 93.8 | 0 | 0 | 0 | 108.6 | I27 T31 | I27-L29 PolarHBondContact O-N 3.42Å; L29-T31 PolarHBondContact O-N 3.33Å | ||
| 30 | H | 29.4 | Very low | 30.9 | Very low | 127 Ų | 127 | 128.5 Ų | 128.5 | 59% | 0.588 | 64% | 0.635 | S | S | * | * | trans | -74.2 | 103.6 | 156.1 | -81 | -80.2 | 0 | 0 | 0 | 107.6 | ||||
| 31 | T | 30.5 | Very low | 31.3 | Very low | 117 Ų | 117 | 126.5 Ų | 126.5 | 72% | 0.718 | 63% | 0.629 | S | S | * | * | S | Bend | trans | 152.8 | 127.1 | 135.4 | 47.8 | 0 | 0 | 0 | 0 | 111.4 | L29 | L29-T31 PolarHBondContact O-N 3.33Š|
| 32 | L | 30.5 | Very low | 31.5 | Very low | 132 Ų | 132 | 123.7 Ų | 123.7 | 69% | 0.691 | 62% | 0.621 | S | S | * | * | trans | 32.7 | 96 | 154.9 | -63 | 165 | 0 | 0 | 0 | 117 | ||||
| 33 | M | 31.9 | Very low | 32.1 | Very low | 172 Ų | 172 | 123.6 Ų | 123.6 | 85% | 0.847 | 61% | 0.613 | S | S | * | * | trans | 174.3 | 154.6 | 140.9 | -96.5 | 170 | 91.8 | 0 | 0 | 111.6 | I35 | M33-I35 PolarHBondContact O-N 2.82Š| ||
| 34 | S | 35.7 | Very low | 32.4 | Very low | 87 Ų | 87 | 117.8 Ų | 117.8 | 61% | 0.608 | 60% | 0.599 | S | S | * | * | trans | -61.9 | 128.2 | 173.7 | 63 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 35 | I | 40.8 | Very low | 32.6 | Very low | 78 Ų | 78 | 116.7 Ų | 116.7 | 40% | 0.4 | 59% | 0.593 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -119.2 | 113.8 | 177.1 | -46.5 | 176 | 0 | 0 | 0 | 108.4 | M33 W37 | M33-I35 PolarHBondContact O-N 2.82Å; I35-W37 HydrophobicContact CG2-CD2 3.94Å; I35-W37 HydrophobicContact CG2-CG 4.28Å; I35-W37 HydrophobicContact CG2-CH2 4.25Å; I35-W37 HydrophobicContact CG2-CZ2 3.46Å; I35-W37 VanDerWaalsContact CG2-CZ2 3.46Å |
| 36 | S | 34.8 | Very low | 33.1 | Very low | 72 Ų | 72 | 110.9 Ų | 110.9 | 50% | 0.503 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.3 | 117.8 | 171.2 | -178 | 0 | 0 | 0 | 0 | 107.5 | H38 | S36-H38 PolarHBondContact OG-CE1 3.38Å; S36-H38 PolarHBondContact OG-ND1 2.81Å |
| 37 | W | 42.4 | Very low | 33.4 | Very low | 97 Ų | 97 | 113 Ų | 113 | 37% | 0.367 | 59% | 0.588 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.7 | 110.5 | 178.9 | -61.5 | 98.2 | 0 | 0 | 0 | 108.6 | L26 I35 G71 | L26-W37 HydrophobicContact CD1-CD2 4.29Å; L26-W37 HydrophobicContact CD1-CE3 4.19Å; L26-W37 HydrophobicContact CD1-CH2 3.66Å; L26-W37 HydrophobicContact CD1-CZ2 3.69Å; L26-W37 HydrophobicContact CD1-CZ3 3.89Å; L26-W37 HydrophobicContact CD2-CH2 3.44Å; L26-W37 VanDerWaalsContact CD2-CH2 3.44Å; L26-W37 HydrophobicContact CD2-CZ2 3.45Å; L26-W37 VanDerWaalsContact CD2-CZ2 3.45Å; L26-W37 HydrophobicContact CD2-CZ3 4.4Å; L26-W37 HydrophobicContact CG-CH2 4.09Å; L26-W37 HydrophobicContact CG-CZ2 4.22Å; I35-W37 HydrophobicContact CG2-CD2 3.94Å; I35-W37 HydrophobicContact CG2-CG 4.28Å; I35-W37 HydrophobicContact CG2-CH2 4.25Å; I35-W37 HydrophobicContact CG2-CZ2 3.46Å; I35-W37 VanDerWaalsContact CG2-CZ2 3.46Å; W37-G71 PolarHBondContact N-O 2.75Å |
| 38 | H | 34.4 | Very low | 33.7 | Very low | 105 Ų | 105 | 111.3 Ų | 111.3 | 49% | 0.486 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.6 | 113.8 | 172 | -64.4 | 92.6 | 0 | 0 | 0 | 108.1 | S36 Y40 | S36-H38 PolarHBondContact OG-CE1 3.38Å; S36-H38 PolarHBondContact OG-ND1 2.81Å; H38-Y40 HydrophobicContact CB-CD2 3.91Å; H38-Y40 HydrophobicContact CB-CE2 3.69Å; H38-Y40 AromaticContact CD2-CE2 3.76Å |
| 39 | I | 37.9 | Very low | 34 | Very low | 96 Ų | 96 | 112.5 Ų | 112.5 | 49% | 0.492 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.3 | 100.1 | 167.7 | -61.9 | 172.1 | 0 | 0 | 0 | 105.5 | ||
| 40 | Y | 32.7 | Very low | 34.6 | Very low | 145 Ų | 145 | 111.4 Ų | 111.4 | 57% | 0.569 | 57% | 0.569 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -97.2 | 117.6 | 168.8 | -72.6 | -83.7 | 0 | 0 | 0 | 107.6 | H38 | H38-Y40 HydrophobicContact CB-CD2 3.91Å; H38-Y40 HydrophobicContact CB-CE2 3.69Å; H38-Y40 AromaticContact CD2-CE2 3.76Å |
| 41 | L | 34.7 | Very low | 35 | Very low | 103 Ų | 103 | 112.4 Ų | 112.4 | 54% | 0.539 | 57% | 0.574 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.5 | 98.3 | 168.2 | -168.2 | 74.1 | 0 | 0 | 0 | 106.8 | L43 | L41-L43 HydrophobicContact CD2-CD1 3.49Å; L41-L43 VanDerWaalsContact CD2-CD1 3.49Å; L41-L43 HydrophobicContact CD2-CG 4.25Å; L41-L43 HydrophobicContact CG-CD1 3.94Å; L41-L43 HydrophobicContact CG-CG 4.16Å |
| 42 | I | 31.3 | Very low | 35.6 | Very low | 131 Ų | 131 | 111.2 Ų | 111.2 | 67% | 0.672 | 57% | 0.571 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -84.4 | 111.3 | 172.6 | -60.5 | 170.1 | 0 | 0 | 0 | 106.2 | ||
| 43 | L | 36.3 | Very low | 36.8 | Very low | 92 Ų | 92 | 107.7 Ų | 107.7 | 48% | 0.482 | 56% | 0.557 | S | S | . | * | trans | -114.6 | 84.5 | 178.8 | -92.3 | 160.1 | 0 | 0 | 0 | 108.6 | L41 V45 | L41-L43 HydrophobicContact CD2-CD1 3.49Å; L41-L43 VanDerWaalsContact CD2-CD1 3.49Å; L41-L43 HydrophobicContact CD2-CG 4.25Å; L41-L43 HydrophobicContact CG-CD1 3.94Å; L41-L43 HydrophobicContact CG-CG 4.16Å; L43-V45 PolarHBondContact O-N 2.95Å | ||
| 44 | L | 31.7 | Very low | 38.1 | Very low | 112 Ų | 112 | 102 Ų | 102 | 59% | 0.586 | 53% | 0.53 | S | S | * | . | trans | -73.5 | 103.9 | 155.2 | -75.9 | 149.9 | 0 | 0 | 0 | 105.3 | ||||
| 45 | V | 33.6 | Very low | 39.4 | Very low | 74 Ų | 74 | 103.2 Ų | 103.2 | 45% | 0.448 | 53% | 0.529 | S | S | . | . | trans | 161.1 | 121.6 | 146.9 | 168.4 | 0 | 0 | 0 | 0 | 110.8 | L15 L43 | L15-V45 HydrophobicContact CD1-CG1 4.17Å; L15-V45 HydrophobicContact CD1-CG2 3.93Å; L15-V45 HydrophobicContact CD2-CB 4.08Å; L15-V45 HydrophobicContact CD2-CG1 4.19Å; L15-V45 HydrophobicContact CD2-CG2 3.35Å; L15-V45 HydrophobicContact CG-CG2 4.09Å; L43-V45 PolarHBondContact O-N 2.95Å | ||
| 46 | S | 35.7 | Very low | 40.6 | Very low | 72 Ų | 72 | 101 Ų | 101 | 50% | 0.503 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -62.3 | 125.2 | 169.7 | 34 | 0 | 0 | 0 | 0 | 111.7 | ||
| 47 | N | 35 | Very low | 42 | Very low | 139 Ų | 139 | 101.8 Ų | 101.8 | 74% | 0.743 | 53% | 0.531 | S | S | * | . | trans | 84.1 | 114.2 | -176.5 | -58.1 | -58.5 | 0 | 0 | 0 | 116 | ||||
| 48 | L | 33.3 | Very low | 43.2 | Very low | 103 Ų | 103 | 98.4 Ų | 98.4 | 54% | 0.539 | 52% | 0.521 | S | S | . | . | 161.1 | 148.8 | 115.9 | -82.7 | 159.1 | 0 | 0 | 0 | 115.5 | |||||
| 49 | Y | 33.6 | Very low | 44.9 | Very low | 171 Ų | 171 | 97.6 Ų | 97.6 | 67% | 0.671 | 53% | 0.527 | S | S | * | . | trans | 44.1 | 120 | 153.4 | -70.3 | -70.4 | 0 | 0 | 0 | 122.3 | ||||
| 50 | F | 40.3 | Very low | 46.4 | Very low | 114 Ų | 114 | 94.6 Ų | 94.6 | 50% | 0.5 | 52% | 0.516 | S | S | . | . | trans | -131.5 | 133.9 | 170.6 | -73.1 | -74.9 | 0 | 0 | 0 | 115.7 | K112 | F50-K112 HydrophobicContact CB-CG 4.43Å; F50-K112 HydrophobicContact CD1-CG 4.41Å; F50-K112 HydrophobicContact CG-CG 4.37Å | ||
| 51 | E | 38.2 | Very low | 48.2 | Very low | 149 Ų | 149 | 90.7 Ų | 90.7 | 70% | 0.696 | 51% | 0.51 | S | S | * | . | trans | -61.2 | 155.6 | 170.2 | -70.8 | -172.5 | 150.3 | 0 | 0 | 113 | S53 | E51-S53 PolarHBondContact O-N 2.71Š| ||
| 52 | S | 43.5 | Very low | 50 | Low | 92 Ų | 92 | 87.2 Ų | 87.2 | 64% | 0.643 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -74.7 | -7.9 | -168.8 | 56.1 | 0 | 0 | 0 | 0 | 116.6 | S113 | S52-S113 VanDerWaalsContact CA-OG 3.24Å; S52-S113 WeakPolarHBondContact CA-OG 3.43Å; S52-S113 WeakPolarHBondContact O-CB 3.09Å; S52-S113 PolarHBondContact O-OG 2.68Å |
| 53 | S | 54.5 | Low | 51.6 | Low | 57 Ų | 57 | 83.1 Ų | 83.1 | 40% | 0.399 | 47% | 0.474 | S | S | . | . | trans | -172.5 | 142.5 | 171.8 | 55.7 | 0 | 0 | 0 | 0 | 113.2 | E51 | E51-S53 PolarHBondContact O-N 2.71Š| ||
| 54 | L | 59.1 | Low | 52.9 | Low | 53 Ų | 53 | 84.9 Ų | 84.9 | 28% | 0.277 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 125.5 | 174.7 | -179.2 | 64.4 | 0 | 0 | 0 | 110.9 | V56 S114 L115 N116 | L54-V56 HydrophobicContact CD2-CG2 4.36Å; L54-V56 HydrophobicContact CG-CG2 4.16Å; L54-S114 PolarHBondContact N-O 2.79Å; L54-L115 HydrophobicContact CB-CD1 4.12Å; L54-L115 HydrophobicContact CD2-CD1 3.98Å; L54-L115 HydrophobicContact CG-CD1 4.05Å; L54-N116 PolarHBondContact O-N 3.47Å; L54-N116 VanDerWaalsContact O-N 3.13Å |
| 55 | N | 63.7 | Low | 54.3 | Low | 112 Ų | 112 | 79.7 Ų | 79.7 | 60% | 0.599 | 46% | 0.462 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 119.9 | 176.5 | -66.3 | -53.1 | 0 | 0 | 0 | 110.3 | N116 | N55-N116 WeakPolarHBondContact OD1-CB 3.01Å; N55-N116 PolarHBondContact OD1-ND2 2.69Å |
| 56 | V | 65.2 | Low | 56.2 | Low | 31 Ų | 31 | 79.9 Ų | 79.9 | 19% | 0.188 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 119.7 | 179.6 | -177.6 | 0 | 0 | 0 | 0 | 108.9 | L54 V58 F72 L115 N116 V117 A118 | L54-V56 HydrophobicContact CD2-CG2 4.36Å; L54-V56 HydrophobicContact CG-CG2 4.16Å; V56-V58 HydrophobicContact CG1-CG2 4.23Å; V56-F72 HydrophobicContact CG1-CZ 3.88Å; V56-L115 HydrophobicContact CG2-CD1 4.4Å; V56-N116 PolarHBondContact N-O 3.26Å; V56-V117 HydrophobicContact CB-CG1 4.49Å; V56-V117 HydrophobicContact CB-CG2 4.41Å; V56-V117 WeakPolarHBondContact O-CA 3.46Å; V56-A118 PolarHBondContact O-N 2.94Å |
| 57 | A | 65.8 | Low | 58 | Low | 90 Ų | 90 | 79.6 Ų | 79.6 | 74% | 0.744 | 46% | 0.462 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 121.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | A118 | A57-A118 WeakPolarHBondContact CA-O 3.33Å |
| 58 | V | 67.1 | Low | 60 | Low | 26 Ų | 26 | 73.7 Ų | 73.7 | 16% | 0.158 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 123.1 | 179.9 | -176.8 | 0 | 0 | 0 | 0 | 108.9 | V56 F72 A118 V119 S120 | V56-V58 HydrophobicContact CG1-CG2 4.23Å; V58-F72 HydrophobicContact CG2-CD2 3.86Å; V58-F72 HydrophobicContact CG2-CE2 3.72Å; V58-F72 HydrophobicContact CG2-CZ 4.29Å; V58-A118 PolarHBondContact N-O 2.66Å; V58-V119 HydrophobicContact CB-CG1 4.41Å; V58-V119 HydrophobicContact CB-CG2 4.35Å; V58-V119 WeakPolarHBondContact O-CA 3.46Å; V58-S120 PolarHBondContact O-N 3.36Å; V58-S120 PolarHBondContact O-OG 3.39Å |
| 59 | S | 69.5 | Low | 62.1 | Low | 88 Ų | 88 | 71.9 Ų | 71.9 | 62% | 0.615 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 127.2 | 176 | 64.4 | 0 | 0 | 0 | 0 | 110.2 | S120 | S59-S120 WeakPolarHBondContact CA-O 3.04Å; S59-S120 WeakPolarHBondContact CB-OG 2.93Å |
| 60 | A | 70.7 | Confident | 63.9 | Low | 32 Ų | 32 | 64.2 Ų | 64.2 | 26% | 0.264 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 142 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111 | F68 S120 A121 S122 | A60-F68 HydrophobicContact CB-CE2 4Å; A60-F68 HydrophobicContact CB-CZ 3.82Å; A60-S120 PolarHBondContact N-O 2.69Å; A60-A121 WeakPolarHBondContact O-CA 3.26Å; A60-S122 PolarHBondContact O-N 2.77Å; A60-S122 VanDerWaalsContact O-N 3.1Å |
| 61 | S | 70.3 | Confident | 65.2 | Low | 64 Ų | 64 | 59.9 Ų | 59.9 | 45% | 0.448 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 139.6 | 174.3 | 70.8 | 0 | 0 | 0 | 0 | 109.9 | S122 | S61-S122 WeakPolarHBondContact CA-O 3.48Å; S61-S122 WeakPolarHBondContact CB-OG 3.31Å |
| 62 | N | 71 | Confident | 66.6 | Low | 29 Ų | 29 | 53.2 Ų | 53.2 | 16% | 0.155 | 35% | 0.347 | C | S | . | . | trans | -125.4 | 88.1 | 170.6 | -175.5 | 6.5 | 0 | 0 | 0 | 109 | V64 G65 T67 F68 S122 N123 | N62-V64 PolarHBondContact O-N 3.08Å; N62-G65 WeakPolarHBondContact ND2-CA 3.02Å; N62-G65 PolarHBondContact OD1-N 2.6Å; N62-G65 VanDerWaalsContact OD1-N 3.07Å; N62-T67 PolarHBondContact ND2-O 2.66Å; N62-F68 HydrophobicContact CB-CD2 3.55Å; N62-F68 HydrophobicContact CB-CE2 4.24Å; N62-F68 HydrophobicContact CB-CG 4.49Å; N62-S122 PolarHBondContact N-O 3.25Å; N62-S122 VanDerWaalsContact N-O 3.08Å; N62-N123 PolarHBondContact O-OD1 3.1Å | ||
| 63 | P | 65.5 | Low | 67.7 | Low | 46 Ų | 46 | 50.3 Ų | 50.3 | 30% | 0.299 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -69.5 | -10.9 | -173 | 21 | -28.2 | 0 | 0 | 0 | 115 | V125 | P63-V125 WeakPolarHBondContact O-CG2 3.03Š|
| 64 | V | 62.8 | Low | 68.3 | Low | 128 Ų | 128 | 49.3 Ų | 49.3 | 78% | 0.776 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -144 | 9.9 | -170.2 | -136.3 | 0 | 0 | 0 | 0 | 115.2 | N62 | N62-V64 PolarHBondContact O-N 3.08Š|
| 65 | G | 61.9 | Low | 68.6 | Low | 4 Ų | 4 | 47.2 Ų | 47.2 | 4% | 0.041 | 31% | 0.305 | C | S | . | . | trans | -105.2 | 140.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | N62 T67 N123 G126 | N62-G65 WeakPolarHBondContact ND2-CA 3.02Å; N62-G65 PolarHBondContact OD1-N 2.6Å; N62-G65 VanDerWaalsContact OD1-N 3.07Å; G65-T67 VanDerWaalsContact C-N 3.27Å; G65-T67 PolarHBondContact O-N 3.41Å; G65-N123 PolarHBondContact O-OD1 2.77Å; G65-G126 WeakPolarHBondContact O-CA 3.06Å | ||
| 66 | S | 74 | Confident | 68.7 | Low | 77 Ų | 77 | 42.8 Ų | 42.8 | 54% | 0.538 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -63.2 | -29.3 | -179.1 | 60.1 | 0 | 0 | 0 | 0 | 113.9 | G126 S127 T128 | S66-G126 CarbonylContact O-C 3.59Å; S66-S127 WeakPolarHBondContact O-CA 2.95Å; S66-S127 PolarHBondContact O-N 2.73Å; S66-S127 PolarHBondContact O-OG 2.84Å; S66-T128 PolarHBondContact O-N 3.49Å |
| 67 | T | 73.8 | Confident | 68.6 | Low | 67 Ų | 67 | 43.5 Ų | 43.5 | 41% | 0.411 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 131.5 | -178.5 | -53 | 0 | 0 | 0 | 0 | 109.9 | N62 G65 T128 | N62-T67 PolarHBondContact ND2-O 2.66Å; G65-T67 VanDerWaalsContact C-N 3.27Å; G65-T67 PolarHBondContact O-N 3.41Å; T67-T128 WeakPolarHBondContact CA-O 3.43Å; T67-T128 HydrophobicContact CG2-CG2 4.44Å |
| 68 | F | 76.3 | Confident | 68.4 | Low | 14 Ų | 14 | 40.5 Ų | 40.5 | 6% | 0.061 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 118 | 173.8 | 177.7 | -91 | 0 | 0 | 0 | 109.6 | A60 N62 Q70 A121 N123 T128 F129 N130 | A60-F68 HydrophobicContact CB-CE2 4Å; A60-F68 HydrophobicContact CB-CZ 3.82Å; N62-F68 HydrophobicContact CB-CD2 3.55Å; N62-F68 HydrophobicContact CB-CE2 4.24Å; N62-F68 HydrophobicContact CB-CG 4.49Å; F68-Q70 HydrophobicContact CE1-CB 3.62Å; F68-Q70 HydrophobicContact CZ-CB 3.73Å; F68-A121 HydrophobicContact CE1-CB 3.54Å; F68-A121 HydrophobicContact CZ-CB 3.58Å; F68-N123 HydrophobicContact CB-CB 3.79Å; F68-N123 VanDerWaalsContact CB-ND2 3.3Å; F68-N123 WeakPolarHBondContact CB-ND2 3.32Å; F68-N123 HydrophobicContact CG-CB 4.11Å; F68-T128 PolarHBondContact N-O 2.76Å; F68-F129 HydrophobicContact CB-CD2 4.28Å; F68-F129 AromaticContact CD1-CD2 3.37Å; F68-F129 HydrophobicContact CD1-CD2 3.37Å; F68-F129 AromaticContact CD1-CE2 3.33Å; F68-F129 HydrophobicContact CD1-CE2 3.33Å; F68-F129 HydrophobicContact CD1-CG 4.14Å; F68-F129 HydrophobicContact CD1-CZ 4.05Å; F68-F129 AromaticContact CE1-CD2 4Å; F68-F129 HydrophobicContact CE1-CD2 4Å; F68-F129 AromaticContact CE1-CE2 3.43Å; F68-F129 HydrophobicContact CE1-CE2 3.43Å; F68-F129 VanDerWaalsContact CE1-CE2 3.43Å; F68-F129 AromaticContact CE1-CZ 3.88Å; F68-F129 HydrophobicContact CE1-CZ 3.88Å; F68-F129 HydrophobicContact CG-CD2 4.07Å; F68-F129 HydrophobicContact CG-CE2 4.26Å; F68-F129 HydrophobicContact CZ-CE2 4.4Å; F68-F129 CarbonylContact O-C 3.58Å; F68-F129 WeakPolarHBondContact O-CA 3Å; F68-N130 PolarHBondContact O-N 3.07Å |
| 69 | N | 76.5 | Confident | 68.2 | Low | 66 Ų | 66 | 43 Ų | 43 | 35% | 0.353 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 118.8 | 174.9 | -68.8 | -21.2 | 0 | 0 | 0 | 108.3 | N130 | N69-N130 WeakPolarHBondContact CA-O 3.23Å; N69-N130 WeakPolarHBondContact OD1-CB 3.42Å; N69-N130 PolarHBondContact OD1-ND2 3.29Å |
| 70 | Q | 71.8 | Confident | 67.8 | Low | 9 Ų | 9 | 39.5 Ų | 39.5 | 4% | 0.042 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 117.4 | 172.1 | -178.6 | -167.7 | 57 | 0 | 0 | 109 | F68 A121 N130 Q131 G132 | F68-Q70 HydrophobicContact CE1-CB 3.62Å; F68-Q70 HydrophobicContact CZ-CB 3.73Å; Q70-A121 VanDerWaalsContact OE1-CB 3.31Å; Q70-N130 PolarHBondContact N-O 3.33Å; Q70-Q131 VanDerWaalsContact O-CA 3.28Å; Q70-Q131 WeakPolarHBondContact O-CA 2.97Å; Q70-Q131 VanDerWaalsContact OE1-NE2 3.07Å; Q70-G132 PolarHBondContact O-N 3.49Å |
| 71 | G | 67.8 | Low | 67.2 | Low | 23 Ų | 23 | 42.6 Ų | 42.6 | 24% | 0.237 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 134.2 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | W37 | W37-G71 PolarHBondContact N-O 2.75Å |
| 72 | F | 68.2 | Low | 66.8 | Low | 9 Ų | 9 | 45.3 Ų | 45.3 | 4% | 0.039 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 119.2 | 169.2 | -178.6 | -92.5 | 0 | 0 | 0 | 109.4 | V56 V58 G132 F133 T134 | V56-F72 HydrophobicContact CG1-CZ 3.88Å; V58-F72 HydrophobicContact CG2-CD2 3.86Å; V58-F72 HydrophobicContact CG2-CE2 3.72Å; V58-F72 HydrophobicContact CG2-CZ 4.29Å; F72-G132 PolarHBondContact N-O 3.18Å; F72-F133 HydrophobicContact CB-CD2 4.44Å; F72-F133 AromaticContact CD1-CD2 3.52Å; F72-F133 HydrophobicContact CD1-CD2 3.52Å; F72-F133 AromaticContact CD1-CE2 3.38Å; F72-F133 HydrophobicContact CD1-CE2 3.38Å; F72-F133 HydrophobicContact CE1-CD2 4.27Å; F72-F133 AromaticContact CE1-CE2 3.65Å; F72-F133 HydrophobicContact CE1-CE2 3.65Å; F72-F133 HydrophobicContact CG-CD2 4.4Å; F72-F133 WeakPolarHBondContact O-CA 3.22Å; F72-T134 PolarHBondContact O-N 3.46Å |
| 73 | T | 66.9 | Low | 66.5 | Low | 32 Ų | 32 | 46.4 Ų | 46.4 | 20% | 0.196 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 124.3 | 175.4 | -56 | 0 | 0 | 0 | 0 | 108.3 | T134 | T73-T134 WeakPolarHBondContact CA-O 3.03Å; T73-T134 HydrophobicContact CG2-CG2 4.43Å |
| 74 | Y | 67.1 | Low | 66.7 | Low | 35 Ų | 35 | 48.3 Ų | 48.3 | 14% | 0.137 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 107.9 | 165.6 | 179.8 | -86.9 | 0 | 0 | 0 | 107 | V76 L115 T134 Y135 G136 | Y74-V76 HydrophobicContact CE1-CG2 4.4Å; Y74-L115 HydrophobicContact CE1-CD2 4.46Å; Y74-T134 PolarHBondContact N-O 3.01Å; Y74-Y135 AromaticContact CD1-CD2 3.51Å; Y74-Y135 HydrophobicContact CD1-CD2 3.51Å; Y74-Y135 AromaticContact CD1-CE2 3.42Å; Y74-Y135 HydrophobicContact CD1-CE2 3.42Å; Y74-Y135 VanDerWaalsContact CD1-CE2 3.42Å; Y74-Y135 HydrophobicContact CE1-CD2 4.17Å; Y74-Y135 AromaticContact CE1-CE2 3.57Å; Y74-Y135 HydrophobicContact CE1-CE2 3.57Å; Y74-Y135 HydrophobicContact CG-CD2 4.39Å; Y74-Y135 WeakPolarHBondContact O-CA 3.4Å; Y74-G136 PolarHBondContact O-N 2.87Å |
| 75 | G | 64.7 | Low | 66.8 | Low | 10 Ų | 10 | 44.1 Ų | 44.1 | 10% | 0.103 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 136.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | G136 | G75-G136 VanDerWaalsContact CA-O 3.26Å; G75-G136 WeakPolarHBondContact CA-O 2.88Å |
| 76 | V | 64.7 | Low | 67.4 | Low | 18 Ų | 18 | 49.7 Ų | 49.7 | 11% | 0.109 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 124.1 | 157.3 | -176.1 | 0 | 0 | 0 | 0 | 105.7 | Y74 F108 G136 V137 T138 | Y74-V76 HydrophobicContact CE1-CG2 4.4Å; V76-F108 HydrophobicContact CG1-CE2 3.81Å; V76-F108 HydrophobicContact CG1-CZ 4.17Å; V76-G136 PolarHBondContact N-O 2.84Å; V76-V137 WeakPolarHBondContact O-CA 3.14Å; V76-T138 PolarHBondContact O-N 2.69Å |
| 77 | T | 63.1 | Low | 67.1 | Low | 46 Ų | 46 | 47.7 Ų | 47.7 | 28% | 0.282 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 118.3 | 177 | -55.6 | 0 | 0 | 0 | 0 | 106.8 | T79 T138 | T77-T79 WeakPolarHBondContact CG2-OG1 3.38Å; T77-T138 VanDerWaalsContact CA-O 3.3Å; T77-T138 WeakPolarHBondContact CA-O 3.07Å |
| 78 | D | 63.4 | Low | 67.1 | Low | 27 Ų | 27 | 49.8 Ų | 49.8 | 14% | 0.144 | 30% | 0.301 | C | S | . | . | trans | -98.5 | 139.3 | 164.3 | -155.3 | -10 | 0 | 0 | 0 | 108.2 | F108 T138 T140 | D78-F108 HydrophobicContact CB-CD2 4.1Å; D78-T138 PolarHBondContact N-O 2.73Å; D78-T140 PolarHBondContact O-N 2.67Å | ||
| 79 | T | 62 | Low | 66.7 | Low | 80 Ų | 80 | 51.6 Ų | 51.6 | 49% | 0.491 | 31% | 0.311 | S | S | . | . | trans | -153.7 | 101 | -179.5 | -45.8 | 0 | 0 | 0 | 0 | 107.1 | T77 | T77-T79 WeakPolarHBondContact CG2-OG1 3.38Š| ||
| 80 | A | 60.8 | Low | 66.3 | Low | 14 Ų | 14 | 53.4 Ų | 53.4 | 12% | 0.116 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -86.3 | 153.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | T140 P142 | A80-T140 PolarHBondContact N-O 2.96Å; A80-P142 HydrophobicContact CB-CB 3.92Å; A80-P142 HydrophobicContact CB-CG 3.61Å |
| 81 | P | 58.1 | Low | 65.9 | Low | 97 Ų | 97 | 53.5 Ų | 53.5 | 63% | 0.63 | 33% | 0.327 | S | S | * | . | P | Polyproline II helix | trans | -81.7 | 138.4 | 177.7 | 30.2 | -32.3 | 0 | 0 | 0 | 112.9 | P142 | P81-P142 WeakPolarHBondContact O-CB 3.12Š|
| 82 | D | 63 | Low | 65.7 | Low | 121 Ų | 121 | 56.5 Ų | 56.5 | 65% | 0.647 | 34% | 0.344 | S | S | * | . | P | Polyproline II helix | trans | -46.6 | 140.1 | 178.9 | -53.5 | -15.3 | 0 | 0 | 0 | 113.9 | ||
| 83 | V | 63.7 | Low | 65.3 | Low | 51 Ų | 51 | 59.9 Ų | 59.9 | 31% | 0.309 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 100.7 | -176.7 | -176 | 0 | 0 | 0 | 0 | 110.2 | T85 T105 P142 D143 S145 | V83-T85 HydrophobicContact CG1-CG2 4.33Å; V83-T105 HydrophobicContact CG2-CG2 4.31Å; V83-P142 HydrophobicContact CG2-CB 4.43Å; V83-P142 HydrophobicContact CG2-CG 4.41Å; V83-D143 PolarHBondContact N-O 2.79Å; V83-S145 PolarHBondContact O-N 3.18Å |
| 84 | S | 69.5 | Low | 64.9 | Low | 87 Ų | 87 | 61.3 Ų | 61.3 | 61% | 0.608 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 124.2 | 170.7 | 73.1 | 0 | 0 | 0 | 0 | 111.6 | S145 | S84-S145 WeakPolarHBondContact CA-O 2.84Å; S84-S145 WeakPolarHBondContact CA-OG 3.24Å; S84-S145 WeakPolarHBondContact CB-OG 3.19Å |
| 85 | T | 66.2 | Low | 64.8 | Low | 40 Ų | 40 | 64.6 Ų | 64.6 | 25% | 0.245 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 122 | 173.5 | 61.1 | 0 | 0 | 0 | 0 | 111.2 | V83 T103 S145 T146 N147 | V83-T85 HydrophobicContact CG1-CG2 4.33Å; T85-T103 HydrophobicContact CG2-CG2 4.06Å; T85-S145 PolarHBondContact N-O 3.24Å; T85-T146 WeakPolarHBondContact O-CA 3.42Å; T85-T146 WeakPolarHBondContact OG1-CG2 3.35Å; T85-N147 PolarHBondContact O-N 2.7Å |
| 86 | N | 73.3 | Confident | 65 | Low | 120 Ų | 120 | 68.7 Ų | 68.7 | 64% | 0.642 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 115.7 | 175.9 | -70.6 | -30.8 | 0 | 0 | 0 | 109.2 | N147 | N86-N147 WeakPolarHBondContact CA-O 3.38Å; N86-N147 WeakPolarHBondContact OD1-CB 3.03Å; N86-N147 PolarHBondContact OD1-ND2 3.14Å |
| 87 | S | 68 | Low | 65.2 | Low | 36 Ų | 36 | 69.1 Ų | 69.1 | 25% | 0.252 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 124.1 | -176.5 | -64.9 | 0 | 0 | 0 | 0 | 110.6 | N147 S148 T149 | S87-N147 PolarHBondContact N-O 2.65Å; S87-S148 WeakPolarHBondContact O-CA 3.32Å; S87-T149 PolarHBondContact O-N 3.36Å |
| 88 | T | 73.8 | Confident | 65.4 | Low | 111 Ų | 111 | 71.6 Ų | 71.6 | 68% | 0.681 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 117.1 | 169.6 | -57 | 0 | 0 | 0 | 0 | 108.7 | T149 | T88-T149 CarbonylContact C-O 3.5Å; T88-T149 WeakPolarHBondContact CA-O 3.3Å |
| 89 | I | 68.1 | Low | 65.5 | Low | 52 Ų | 52 | 71 Ų | 71 | 27% | 0.267 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 120.2 | -176.9 | -50 | 176.1 | 0 | 0 | 0 | 109 | F97 T99 T149 I150 T151 | I89-F97 HydrophobicContact CG2-CE2 4.12Å; I89-F97 HydrophobicContact CG2-CZ 3.66Å; I89-T99 HydrophobicContact CD1-CG2 4.34Å; I89-T149 PolarHBondContact N-O 3.37Å; I89-I150 CarbonylContact O-C 3.57Å; I89-I150 WeakPolarHBondContact O-CA 2.94Å; I89-T151 PolarHBondContact O-N 2.54Å |
| 90 | T | 69.2 | Low | 65.6 | Low | 103 Ų | 103 | 71.6 Ų | 71.6 | 63% | 0.632 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 126.2 | 176.6 | -50.4 | 0 | 0 | 0 | 0 | 110.1 | T151 | T90-T151 CarbonylContact C-O 3.5Å; T90-T151 WeakPolarHBondContact CA-O 3.16Å |
| 91 | A | 63.4 | Low | 65.5 | Low | 12 Ų | 12 | 72.2 Ų | 72.2 | 10% | 0.099 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 132.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | F97 T151 A152 S153 | A91-F97 HydrophobicContact CB-CD2 3.47Å; A91-F97 VanDerWaalsContact CB-CD2 3.47Å; A91-F97 HydrophobicContact CB-CE2 3.4Å; A91-F97 VanDerWaalsContact CB-CE2 3.4Å; A91-F97 HydrophobicContact CB-CG 4.19Å; A91-F97 HydrophobicContact CB-CZ 4.02Å; A91-T151 PolarHBondContact N-O 2.89Å; A91-A152 CarbonylContact O-C 3.58Å; A91-A152 VanDerWaalsContact O-CA 3.28Å; A91-A152 WeakPolarHBondContact O-CA 3.48Å; A91-S153 PolarHBondContact O-N 2.66Å; A91-S153 PolarHBondContact O-OG 2.86Å |
| 92 | S | 62.5 | Low | 65.6 | Low | 85 Ų | 85 | 71.6 Ų | 71.6 | 59% | 0.594 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 126.1 | 178 | 47.2 | 0 | 0 | 0 | 0 | 109.5 | S153 | S92-S153 WeakPolarHBondContact CA-O 3.44Å |
| 93 | A | 59.3 | Low | 65.3 | Low | 81 Ų | 81 | 66.9 Ų | 66.9 | 67% | 0.669 | 42% | 0.415 | S | S | * | . | S | Bend | trans | 63.7 | 58.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | S153 | A93-S153 PolarHBondContact N-O 3.09Š|
| 94 | T | 60.1 | Low | 65 | Low | 61 Ų | 61 | 69.4 Ų | 69.4 | 37% | 0.374 | 43% | 0.431 | S | S | . | . | trans | -126.1 | 145.9 | 173.2 | 55.4 | 0 | 0 | 0 | 0 | 112 | T155 | T94-T155 WeakPolarHBondContact O-CA 3.38Å; T94-T155 VanDerWaalsContact O-CB 3.23Å; T94-T155 WeakPolarHBondContact O-CB 3.44Å; T94-T155 WeakPolarHBondContact O-CG2 3.32Å; T94-T155 WeakPolarHBondContact OG1-CG2 3.49Å | ||
| 95 | T | 63.6 | Low | 64.4 | Low | 105 Ų | 105 | 66.1 Ų | 66.1 | 64% | 0.644 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -67.9 | -44.9 | -179.4 | 47 | 0 | 0 | 0 | 0 | 111.9 | T156 N157 | T95-T156 WeakPolarHBondContact CA-OG1 3.06Å; T95-T156 PolarHBondContact O-N 2.64Å; T95-T156 VanDerWaalsContact O-N 3.13Å; T95-T156 PolarHBondContact O-OG1 2.74Å; T95-N157 PolarHBondContact O-N 3.38Å |
| 96 | N | 70 | Confident | 63.7 | Low | 95 Ų | 95 | 67.3 Ų | 67.3 | 51% | 0.508 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 135.5 | 176.2 | -61.7 | -33 | 0 | 0 | 0 | 109.7 | N157 | N96-N157 WeakPolarHBondContact CA-O 3.44Å; N96-N157 WeakPolarHBondContact OD1-CB 3.5Å; N96-N157 PolarHBondContact OD1-ND2 3.02Å |
| 97 | F | 67.8 | Low | 62.9 | Low | 27 Ų | 27 | 63.4 Ų | 63.4 | 12% | 0.118 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 121.3 | 174.3 | 179.8 | -102.8 | 0 | 0 | 0 | 109.3 | I89 A91 T99 I150 T155 N157 F158 T159 | I89-F97 HydrophobicContact CG2-CE2 4.12Å; I89-F97 HydrophobicContact CG2-CZ 3.66Å; A91-F97 HydrophobicContact CB-CD2 3.47Å; A91-F97 VanDerWaalsContact CB-CD2 3.47Å; A91-F97 HydrophobicContact CB-CE2 3.4Å; A91-F97 VanDerWaalsContact CB-CE2 3.4Å; A91-F97 HydrophobicContact CB-CG 4.19Å; A91-F97 HydrophobicContact CB-CZ 4.02Å; F97-T99 HydrophobicContact CD1-CG2 3.9Å; F97-T99 HydrophobicContact CE1-CG2 3.12Å; F97-T99 HydrophobicContact CE2-CG2 3.84Å; F97-T99 HydrophobicContact CZ-CG2 3.09Å; F97-I150 HydrophobicContact CE1-CG2 3.8Å; F97-I150 HydrophobicContact CZ-CG2 4.2Å; F97-T155 HydrophobicContact CB-CG2 4.5Å; F97-N157 PolarHBondContact N-O 2.92Å; F97-F158 HydrophobicContact CB-CD2 4.39Å; F97-F158 AromaticContact CD1-CD2 3.44Å; F97-F158 HydrophobicContact CD1-CD2 3.44Å; F97-F158 VanDerWaalsContact CD1-CD2 3.44Å; F97-F158 AromaticContact CD1-CE2 3.27Å; F97-F158 HydrophobicContact CD1-CE2 3.27Å; F97-F158 HydrophobicContact CD1-CG 4.43Å; F97-F158 HydrophobicContact CD1-CZ 4.17Å; F97-F158 HydrophobicContact CE1-CD2 4.08Å; F97-F158 AromaticContact CE1-CE2 3.42Å; F97-F158 HydrophobicContact CE1-CE2 3.42Å; F97-F158 VanDerWaalsContact CE1-CE2 3.42Å; F97-F158 HydrophobicContact CE1-CZ 4.09Å; F97-F158 HydrophobicContact CG-CD2 4.31Å; F97-F158 HydrophobicContact CG-CE2 4.44Å; F97-T159 PolarHBondContact O-N 2.89Å |
| 98 | T | 68.4 | Low | 62.5 | Low | 98 Ų | 98 | 62.5 Ų | 62.5 | 60% | 0.601 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 126.6 | 179.1 | -53.4 | 0 | 0 | 0 | 0 | 109.1 | T159 | T98-T159 VanDerWaalsContact CA-O 3.26Å; T98-T159 WeakPolarHBondContact CA-O 3.41Å |
| 99 | T | 64.7 | Low | 61.7 | Low | 14 Ų | 14 | 61.9 Ų | 61.9 | 9% | 0.086 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 138.8 | 172.7 | 92.4 | 0 | 0 | 0 | 0 | 109.8 | I89 F97 T159 T160 T161 | I89-T99 HydrophobicContact CD1-CG2 4.34Å; F97-T99 HydrophobicContact CD1-CG2 3.9Å; F97-T99 HydrophobicContact CE1-CG2 3.12Å; F97-T99 HydrophobicContact CE2-CG2 3.84Å; F97-T99 HydrophobicContact CZ-CG2 3.09Å; T99-T159 PolarHBondContact N-O 2.67Å; T99-T160 PolarHBondContact OG1-OG1 3.4Å; T99-T161 PolarHBondContact O-N 2.87Å |
| 100 | T | 63.8 | Low | 61.2 | Low | 93 Ų | 93 | 60.3 Ų | 60.3 | 57% | 0.571 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 117.5 | 174.9 | -54 | 0 | 0 | 0 | 0 | 107.8 | T161 | T100-T161 WeakPolarHBondContact CA-O 3.34Å |
| 101 | T | 59 | Low | 60.3 | Low | 27 Ų | 27 | 58.3 Ų | 58.3 | 17% | 0.166 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 123.1 | 172.6 | -49 | 0 | 0 | 0 | 0 | 107.2 | T161 T163 | T101-T161 PolarHBondContact N-O 3.13Å; T101-T163 PolarHBondContact O-N 2.71Å |
| 102 | T | 59.7 | Low | 59.8 | Low | 84 Ų | 84 | 59.8 Ų | 59.8 | 52% | 0.515 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 123 | 177.9 | -50.4 | 0 | 0 | 0 | 0 | 108.8 | T104 T163 | T102-T104 HydrophobicContact CG2-CG2 4.16Å; T102-T163 WeakPolarHBondContact CA-O 3.39Å |
| 103 | T | 58.3 | Low | 59.3 | Low | 22 Ų | 22 | 59 Ų | 59 | 14% | 0.135 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 126.1 | 171.5 | 46.4 | 0 | 0 | 0 | 0 | 108.2 | T85 T146 T165 | T85-T103 HydrophobicContact CG2-CG2 4.06Å; T103-T146 HydrophobicContact CG2-CG2 4.13Å; T103-T165 PolarHBondContact O-N 3.43Å; T103-T165 VanDerWaalsContact O-N 3.12Å |
| 104 | T | 57.2 | Low | 59.4 | Low | 104 Ų | 104 | 56.3 Ų | 56.3 | 64% | 0.638 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 126.9 | 178.2 | 56 | 0 | 0 | 0 | 0 | 109.2 | T102 T165 | T102-T104 HydrophobicContact CG2-CG2 4.16Å; T104-T165 WeakPolarHBondContact CA-O 3.4Å |
| 105 | T | 55.9 | Low | 59.5 | Low | 18 Ų | 18 | 53.9 Ų | 53.9 | 11% | 0.11 | 33% | 0.325 | C | S | . | . | trans | -97 | 160.5 | 168.8 | 48.8 | 0 | 0 | 0 | 0 | 110.3 | V83 P142 V144 | V83-T105 HydrophobicContact CG2-CG2 4.31Å; T105-P142 HydrophobicContact CG2-CG 3.83Å; T105-V144 HydrophobicContact CG2-CG2 3.78Å | ||
| 106 | D | 52.2 | Low | 59.8 | Low | 66 Ų | 66 | 51.5 Ų | 51.5 | 35% | 0.353 | 31% | 0.309 | S | S | . | . | trans | -78.5 | 169.3 | 175.1 | 58.4 | -11.9 | 0 | 0 | 0 | 111.5 | T167 | D106-T167 CarbonylContact C-O 3.35Š| ||
| 107 | G | 55.1 | Low | 59.8 | Low | 37 Ų | 37 | 47.2 Ų | 47.2 | 38% | 0.381 | 29% | 0.286 | S | S | . | . | trans | -140.4 | 146.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | D168 | G107-D168 VanDerWaalsContact CA-OD1 3.3Å; G107-D168 WeakPolarHBondContact CA-OD1 3.34Å | ||
| 108 | F | 60.2 | Low | 60 | Low | 17 Ų | 17 | 48.2 Ų | 48.2 | 8% | 0.075 | 30% | 0.3 | C | S | . | . | trans | -78.1 | 120.5 | -176.5 | 180 | -96.2 | 0 | 0 | 0 | 113 | V76 D78 Q110 V137 D139 G169 F170 N171 | V76-F108 HydrophobicContact CG1-CE2 3.81Å; V76-F108 HydrophobicContact CG1-CZ 4.17Å; D78-F108 HydrophobicContact CB-CD2 4.1Å; F108-Q110 HydrophobicContact CE1-CB 3.76Å; F108-Q110 HydrophobicContact CZ-CB 3.96Å; F108-V137 HydrophobicContact CE1-CG1 3.76Å; F108-V137 HydrophobicContact CE2-CG1 4.4Å; F108-V137 HydrophobicContact CZ-CG1 3.58Å; F108-D139 WeakPolarHBondContact CB-OD2 3.1Å; F108-G169 VanDerWaalsContact O-O 3.14Å; F108-F170 AromaticContact CD1-CD2 3.48Å; F108-F170 HydrophobicContact CD1-CD2 3.48Å; F108-F170 VanDerWaalsContact CD1-CD2 3.48Å; F108-F170 AromaticContact CD1-CE2 3.5Å; F108-F170 HydrophobicContact CD1-CE2 3.5Å; F108-F170 HydrophobicContact CD1-CG 4.38Å; F108-F170 HydrophobicContact CD1-CZ 4.42Å; F108-F170 HydrophobicContact CE1-CD2 4.01Å; F108-F170 AromaticContact CE1-CE2 3.5Å; F108-F170 HydrophobicContact CE1-CE2 3.5Å; F108-F170 HydrophobicContact CE1-CZ 4.18Å; F108-F170 HydrophobicContact CG-CD2 4.33Å; F108-N171 PolarHBondContact O-N 2.67Å | ||
| 109 | N | 57.7 | Low | 60.3 | Low | 99 Ų | 99 | 43.7 Ų | 43.7 | 53% | 0.529 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 112.8 | 176.5 | -161.2 | -39.9 | 0 | 0 | 0 | 112.3 | N171 | N109-N171 WeakPolarHBondContact CA-O 3.11Å; N109-N171 PolarHBondContact OD1-O 3.14Å |
| 110 | Q | 56.6 | Low | 60.8 | Low | 19 Ų | 19 | 45.3 Ų | 45.3 | 9% | 0.089 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 107.9 | 177.6 | -173.8 | -179.7 | 83.2 | 0 | 0 | 111.1 | F108 N171 S173 | F108-Q110 HydrophobicContact CE1-CB 3.76Å; F108-Q110 HydrophobicContact CZ-CB 3.96Å; Q110-N171 PolarHBondContact N-O 3.13Å; Q110-S173 PolarHBondContact O-N 2.73Å; Q110-S173 VanDerWaalsContact O-N 3.15Å |
| 111 | S | 50.8 | Low | 61.5 | Low | 61 Ų | 61 | 41.1 Ų | 41.1 | 43% | 0.427 | 26% | 0.259 | S | S | . | . | trans | -119.5 | 112.5 | 174.5 | 56.5 | 0 | 0 | 0 | 0 | 112.2 | S173 | S111-S173 WeakPolarHBondContact CA-O 3.06Š| ||
| 112 | K | 53.5 | Low | 62.4 | Low | 43 Ų | 43 | 41.6 Ų | 41.6 | 19% | 0.187 | 26% | 0.263 | C | S | . | . | trans | -131.8 | 172.2 | 177.3 | -79.9 | -174 | 179.5 | 174 | 0 | 111.8 | F50 K174 S175 | F50-K112 HydrophobicContact CB-CG 4.43Å; F50-K112 HydrophobicContact CD1-CG 4.41Å; F50-K112 HydrophobicContact CG-CG 4.37Å; K112-K174 CarbonylContact C-O 3.56Å; K112-K174 PolarHBondContact N-O 3.49Å; K112-K174 CarbonylContact O-C 3.51Å; K112-S175 WeakPolarHBondContact O-CB 2.96Å | ||
| 113 | S | 52.3 | Low | 63.3 | Low | 68 Ų | 68 | 37.6 Ų | 37.6 | 48% | 0.476 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -111.2 | -10.5 | 177.9 | 37.9 | 0 | 0 | 0 | 0 | 116.8 | S52 | S52-S113 VanDerWaalsContact CA-OG 3.24Å; S52-S113 WeakPolarHBondContact CA-OG 3.43Å; S52-S113 WeakPolarHBondContact O-CB 3.09Å; S52-S113 PolarHBondContact O-OG 2.68Å |
| 114 | S | 60.1 | Low | 64 | Low | 25 Ų | 25 | 38.8 Ų | 38.8 | 18% | 0.175 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 174.9 | 143.3 | 163.5 | 44.3 | 0 | 0 | 0 | 0 | 111.5 | L54 | L54-S114 PolarHBondContact N-O 2.79Å |
| 115 | L | 63.7 | Low | 64.5 | Low | 9 Ų | 9 | 38.3 Ų | 38.3 | 5% | 0.047 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 117.7 | 173 | 173.7 | 60.4 | 0 | 0 | 0 | 109.4 | L54 V56 Y74 V117 Y135 S176 L177 N178 | L54-L115 HydrophobicContact CB-CD1 4.12Å; L54-L115 HydrophobicContact CD2-CD1 3.98Å; L54-L115 HydrophobicContact CG-CD1 4.05Å; V56-L115 HydrophobicContact CG2-CD1 4.4Å; Y74-L115 HydrophobicContact CE1-CD2 4.46Å; L115-V117 HydrophobicContact CD1-CG2 3.93Å; L115-V117 HydrophobicContact CD2-CG2 4.24Å; L115-V117 HydrophobicContact CG-CG2 3.88Å; L115-Y135 HydrophobicContact CD2-CE2 3.71Å; L115-S176 PolarHBondContact N-O 2.71Å; L115-L177 HydrophobicContact CB-CD1 4.05Å; L115-L177 HydrophobicContact CD2-CD1 3.79Å; L115-L177 HydrophobicContact CG-CD1 3.79Å; L115-L177 WeakPolarHBondContact O-CA 3.06Å; L115-N178 PolarHBondContact O-N 2.76Å; L115-N178 VanDerWaalsContact O-N 3.09Å |
| 116 | N | 70.1 | Confident | 64.9 | Low | 55 Ų | 55 | 37.5 Ų | 37.5 | 29% | 0.294 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 123.3 | 173.5 | -57.1 | -59.8 | 0 | 0 | 0 | 109.9 | L54 N55 V56 N178 | L54-N116 PolarHBondContact O-N 3.47Å; L54-N116 VanDerWaalsContact O-N 3.13Å; N55-N116 WeakPolarHBondContact OD1-CB 3.01Å; N55-N116 PolarHBondContact OD1-ND2 2.69Å; V56-N116 PolarHBondContact N-O 3.26Å; N116-N178 WeakPolarHBondContact CA-O 3.36Å; N116-N178 WeakPolarHBondContact OD1-CB 3.19Å; N116-N178 PolarHBondContact OD1-ND2 3.41Å |
| 117 | V | 69.8 | Low | 66.1 | Low | 5 Ų | 5 | 36.8 Ų | 36.8 | 3% | 0.03 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 120.1 | -179.9 | -174 | 0 | 0 | 0 | 0 | 109.4 | V56 L115 V119 F133 N178 V179 A180 | V56-V117 HydrophobicContact CB-CG1 4.49Å; V56-V117 HydrophobicContact CB-CG2 4.41Å; V56-V117 WeakPolarHBondContact O-CA 3.46Å; L115-V117 HydrophobicContact CD1-CG2 3.93Å; L115-V117 HydrophobicContact CD2-CG2 4.24Å; L115-V117 HydrophobicContact CG-CG2 3.88Å; V117-V119 HydrophobicContact CG1-CG2 4.01Å; V117-F133 HydrophobicContact CB-CZ 4.5Å; V117-F133 HydrophobicContact CG1-CE2 3.6Å; V117-F133 HydrophobicContact CG1-CZ 3.75Å; V117-N178 PolarHBondContact N-O 3.26Å; V117-V179 HydrophobicContact CB-CG1 4.35Å; V117-V179 HydrophobicContact CB-CG2 4.46Å; V117-V179 WeakPolarHBondContact O-CA 3.41Å; V117-A180 PolarHBondContact O-N 3.23Å |
| 118 | A | 71.8 | Confident | 67.3 | Low | 49 Ų | 49 | 36.8 Ų | 36.8 | 41% | 0.405 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 115.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110 | V56 A57 V58 A180 | V56-A118 PolarHBondContact O-N 2.94Å; A57-A118 WeakPolarHBondContact CA-O 3.33Å; V58-A118 PolarHBondContact N-O 2.66Å; A118-A180 WeakPolarHBondContact CA-O 3.3Å |
| 119 | V | 73.5 | Confident | 68.5 | Low | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.012 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 126.3 | 178.2 | -175 | 0 | 0 | 0 | 0 | 109.6 | V58 V117 F133 A180 V181 S182 | V58-V119 HydrophobicContact CB-CG1 4.41Å; V58-V119 HydrophobicContact CB-CG2 4.35Å; V58-V119 WeakPolarHBondContact O-CA 3.46Å; V117-V119 HydrophobicContact CG1-CG2 4.01Å; V119-F133 HydrophobicContact CG2-CD2 3.71Å; V119-F133 HydrophobicContact CG2-CE2 3.8Å; V119-A180 PolarHBondContact N-O 3.46Å; V119-V181 HydrophobicContact CB-CG2 4.47Å; V119-V181 WeakPolarHBondContact O-CA 3.25Å; V119-S182 PolarHBondContact O-N 3.04Å; V119-S182 PolarHBondContact O-OG 2.7Å |
| 120 | S | 76.1 | Confident | 69.6 | Low | 48 Ų | 48 | 33.7 Ų | 33.7 | 34% | 0.336 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 134.8 | 177.7 | 59.5 | 0 | 0 | 0 | 0 | 111.3 | V58 S59 A60 S182 | V58-S120 PolarHBondContact O-N 3.36Å; V58-S120 PolarHBondContact O-OG 3.39Å; S59-S120 WeakPolarHBondContact CA-O 3.04Å; S59-S120 WeakPolarHBondContact CB-OG 2.93Å; A60-S120 PolarHBondContact N-O 2.69Å; S120-S182 WeakPolarHBondContact CA-O 3.21Å |
| 121 | A | 78.4 | Confident | 70.8 | Confident | 6 Ų | 6 | 33.1 Ų | 33.1 | 5% | 0.05 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 143 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A60 F68 Q70 F129 Q131 S182 A183 S184 | A60-A121 WeakPolarHBondContact O-CA 3.26Å; F68-A121 HydrophobicContact CE1-CB 3.54Å; F68-A121 HydrophobicContact CZ-CB 3.58Å; Q70-A121 VanDerWaalsContact OE1-CB 3.31Å; A121-F129 HydrophobicContact CB-CE2 3.89Å; A121-F129 HydrophobicContact CB-CZ 3.63Å; A121-Q131 VanDerWaalsContact CB-NE2 3.31Å; A121-S182 PolarHBondContact N-O 2.82Å; A121-A183 WeakPolarHBondContact O-CA 3.3Å; A121-S184 PolarHBondContact O-N 3.43Å |
| 122 | S | 78.1 | Confident | 71.9 | Confident | 36 Ų | 36 | 31.5 Ų | 31.5 | 25% | 0.252 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 137.4 | 175.2 | 59.8 | 0 | 0 | 0 | 0 | 111.9 | A60 S61 N62 S184 | A60-S122 PolarHBondContact O-N 2.77Å; A60-S122 VanDerWaalsContact O-N 3.1Å; S61-S122 WeakPolarHBondContact CA-O 3.48Å; S61-S122 WeakPolarHBondContact CB-OG 3.31Å; N62-S122 PolarHBondContact N-O 3.25Å; N62-S122 VanDerWaalsContact N-O 3.08Å; S122-S184 WeakPolarHBondContact CA-O 3.5Å |
| 123 | N | 79.2 | Confident | 73.1 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -127.9 | 83.9 | 168.3 | -171 | 13.2 | 0 | 0 | 0 | 109.2 | N62 G65 F68 V125 G126 T128 F129 S184 N185 | N62-N123 PolarHBondContact O-OD1 3.1Å; G65-N123 PolarHBondContact O-OD1 2.77Å; F68-N123 HydrophobicContact CB-CB 3.79Å; F68-N123 VanDerWaalsContact CB-ND2 3.3Å; F68-N123 WeakPolarHBondContact CB-ND2 3.32Å; F68-N123 HydrophobicContact CG-CB 4.11Å; N123-V125 PolarHBondContact O-N 3.35Å; N123-V125 VanDerWaalsContact O-N 3.16Å; N123-G126 WeakPolarHBondContact ND2-CA 3.47Å; N123-G126 PolarHBondContact OD1-N 2.46Å; N123-T128 PolarHBondContact ND2-O 2.96Å; N123-F129 HydrophobicContact CB-CD2 3.68Å; N123-F129 HydrophobicContact CB-CE2 4.36Å; N123-S184 PolarHBondContact N-O 3.16Å; N123-N185 PolarHBondContact O-OD1 3.46Å | ||
| 124 | P | 72.4 | Confident | 74.3 | Confident | 47 Ų | 47 | 28.8 Ų | 28.8 | 31% | 0.305 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -26.4 | -173.2 | -25.3 | 33.5 | 0 | 0 | 0 | 115.6 | ||
| 125 | V | 67.6 | Low | 75 | Confident | 95 Ų | 95 | 28 Ų | 28 | 58% | 0.576 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -142.3 | 35.4 | -169.3 | -150.7 | 0 | 0 | 0 | 0 | 113.7 | P63 N123 | P63-V125 WeakPolarHBondContact O-CG2 3.03Å; N123-V125 PolarHBondContact O-N 3.35Å; N123-V125 VanDerWaalsContact O-N 3.16Å |
| 126 | G | 64.7 | Low | 75.4 | Confident | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | trans | -123.5 | 140.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | G65 S66 N123 T128 N185 G188 | G65-G126 WeakPolarHBondContact O-CA 3.06Å; S66-G126 CarbonylContact O-C 3.59Å; N123-G126 WeakPolarHBondContact ND2-CA 3.47Å; N123-G126 PolarHBondContact OD1-N 2.46Å; G126-T128 VanDerWaalsContact C-N 3.33Å; G126-T128 PolarHBondContact O-N 3Å; G126-N185 PolarHBondContact O-ND2 3.43Å; G126-N185 PolarHBondContact O-OD1 3.32Å; G126-G188 WeakPolarHBondContact O-CA 3.47Å | ||
| 127 | S | 77.6 | Confident | 75.4 | Confident | 51 Ų | 51 | 25.7 Ų | 25.7 | 36% | 0.357 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -60.3 | -33.3 | -178.1 | 45.9 | 0 | 0 | 0 | 0 | 114.8 | S66 S189 T190 | S66-S127 WeakPolarHBondContact O-CA 2.95Å; S66-S127 PolarHBondContact O-N 2.73Å; S66-S127 PolarHBondContact O-OG 2.84Å; S127-S189 WeakPolarHBondContact CB-OG 3.17Å; S127-S189 PolarHBondContact O-N 3.07Å; S127-S189 PolarHBondContact O-OG 3.45Å; S127-T190 PolarHBondContact O-N 2.89Å |
| 128 | T | 80.3 | Confident | 75.5 | Confident | 36 Ų | 36 | 27.7 Ų | 27.7 | 22% | 0.221 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 131.5 | -175 | -54 | 0 | 0 | 0 | 0 | 111.1 | S66 T67 F68 N123 G126 T190 | S66-T128 PolarHBondContact O-N 3.49Å; T67-T128 WeakPolarHBondContact CA-O 3.43Å; T67-T128 HydrophobicContact CG2-CG2 4.44Å; F68-T128 PolarHBondContact N-O 2.76Å; N123-T128 PolarHBondContact ND2-O 2.96Å; G126-T128 VanDerWaalsContact C-N 3.33Å; G126-T128 PolarHBondContact O-N 3Å; T128-T190 WeakPolarHBondContact CA-O 3.48Å |
| 129 | F | 84.4 | Confident | 75.3 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 123.4 | 176.2 | -179.6 | -79.8 | 0 | 0 | 0 | 110.5 | F68 A121 N123 Q131 A183 N185 T190 F191 N192 | F68-F129 HydrophobicContact CB-CD2 4.28Å; F68-F129 AromaticContact CD1-CD2 3.37Å; F68-F129 HydrophobicContact CD1-CD2 3.37Å; F68-F129 AromaticContact CD1-CE2 3.33Å; F68-F129 HydrophobicContact CD1-CE2 3.33Å; F68-F129 HydrophobicContact CD1-CG 4.14Å; F68-F129 HydrophobicContact CD1-CZ 4.05Å; F68-F129 AromaticContact CE1-CD2 4Å; F68-F129 HydrophobicContact CE1-CD2 4Å; F68-F129 AromaticContact CE1-CE2 3.43Å; F68-F129 HydrophobicContact CE1-CE2 3.43Å; F68-F129 VanDerWaalsContact CE1-CE2 3.43Å; F68-F129 AromaticContact CE1-CZ 3.88Å; F68-F129 HydrophobicContact CE1-CZ 3.88Å; F68-F129 HydrophobicContact CG-CD2 4.07Å; F68-F129 HydrophobicContact CG-CE2 4.26Å; F68-F129 HydrophobicContact CZ-CE2 4.4Å; F68-F129 CarbonylContact O-C 3.58Å; F68-F129 WeakPolarHBondContact O-CA 3Å; A121-F129 HydrophobicContact CB-CE2 3.89Å; A121-F129 HydrophobicContact CB-CZ 3.63Å; N123-F129 HydrophobicContact CB-CD2 3.68Å; N123-F129 HydrophobicContact CB-CE2 4.36Å; F129-Q131 HydrophobicContact CE1-CB 3.52Å; F129-Q131 HydrophobicContact CZ-CB 3.89Å; F129-A183 HydrophobicContact CE1-CB 3.44Å; F129-A183 VanDerWaalsContact CE1-CB 3.44Å; F129-A183 HydrophobicContact CZ-CB 3.41Å; F129-A183 VanDerWaalsContact CZ-CB 3.41Å; F129-N185 HydrophobicContact CB-CB 3.85Å; F129-N185 WeakPolarHBondContact CB-ND2 3.2Å; F129-N185 HydrophobicContact CD2-CB 4.28Å; F129-N185 HydrophobicContact CG-CB 4.13Å; F129-T190 PolarHBondContact N-O 2.95Å; F129-F191 HydrophobicContact CB-CD2 4.16Å; F129-F191 AromaticContact CD1-CD2 3.51Å; F129-F191 HydrophobicContact CD1-CD2 3.51Å; F129-F191 AromaticContact CD1-CE2 3.45Å; F129-F191 HydrophobicContact CD1-CE2 3.45Å; F129-F191 VanDerWaalsContact CD1-CE2 3.45Å; F129-F191 HydrophobicContact CD1-CG 4.26Å; F129-F191 HydrophobicContact CD1-CZ 4.12Å; F129-F191 HydrophobicContact CE1-CD2 4.14Å; F129-F191 AromaticContact CE1-CE2 3.57Å; F129-F191 HydrophobicContact CE1-CE2 3.57Å; F129-F191 AromaticContact CE1-CZ 3.99Å; F129-F191 HydrophobicContact CE1-CZ 3.99Å; F129-F191 AromaticContact CG-CD2 3.95Å; F129-F191 HydrophobicContact CG-CD2 3.95Å; F129-F191 HydrophobicContact CG-CE2 4.14Å; F129-F191 HydrophobicContact CZ-CE2 4.32Å; F129-F191 WeakPolarHBondContact O-CA 3.44Å; F129-N192 PolarHBondContact O-N 3.29Å |
| 130 | N | 81.8 | Confident | 75.1 | Confident | 52 Ų | 52 | 27.8 Ų | 27.8 | 28% | 0.278 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 119.5 | 173.3 | -59.4 | -55.4 | 0 | 0 | 0 | 109.5 | F68 N69 Q70 N192 | F68-N130 PolarHBondContact O-N 3.07Å; N69-N130 WeakPolarHBondContact CA-O 3.23Å; N69-N130 WeakPolarHBondContact OD1-CB 3.42Å; N69-N130 PolarHBondContact OD1-ND2 3.29Å; Q70-N130 PolarHBondContact N-O 3.33Å; N130-N192 WeakPolarHBondContact CA-O 3.48Å; N130-N192 WeakPolarHBondContact OD1-CB 3.5Å; N130-N192 PolarHBondContact OD1-ND2 2.77Å |
| 131 | Q | 80.1 | Confident | 74.5 | Confident | 6 Ų | 6 | 25.9 Ų | 25.9 | 3% | 0.028 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 125.2 | 170.1 | -178.6 | -175.2 | 65.2 | 0 | 0 | 110.2 | Q70 A121 F129 S182 A183 N192 Q193 G194 | Q70-Q131 VanDerWaalsContact O-CA 3.28Å; Q70-Q131 WeakPolarHBondContact O-CA 2.97Å; Q70-Q131 VanDerWaalsContact OE1-NE2 3.07Å; A121-Q131 VanDerWaalsContact CB-NE2 3.31Å; F129-Q131 HydrophobicContact CE1-CB 3.52Å; F129-Q131 HydrophobicContact CZ-CB 3.89Å; Q131-S182 PolarHBondContact NE2-O 2.61Å; Q131-A183 VanDerWaalsContact OE1-CB 3.3Å; Q131-N192 PolarHBondContact N-O 2.83Å; Q131-Q193 CarbonylContact O-C 3.42Å; Q131-Q193 VanDerWaalsContact O-CA 3.29Å; Q131-Q193 WeakPolarHBondContact O-CA 3.33Å; Q131-G194 PolarHBondContact O-N 3.15Å |
| 132 | G | 75.9 | Confident | 73.8 | Confident | 28 Ų | 28 | 25.7 Ų | 25.7 | 29% | 0.289 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 131.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q70 F72 | Q70-G132 PolarHBondContact O-N 3.49Å; F72-G132 PolarHBondContact N-O 3.18Å |
| 133 | F | 77.7 | Confident | 73.4 | Confident | 1 Ų | 1 | 27.6 Ų | 27.6 | 0% | 0.004 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 122.9 | 167.8 | 179.6 | -89.9 | 0 | 0 | 0 | 109.7 | F72 V117 V119 V179 V181 G194 F195 T196 | F72-F133 HydrophobicContact CB-CD2 4.44Å; F72-F133 AromaticContact CD1-CD2 3.52Å; F72-F133 HydrophobicContact CD1-CD2 3.52Å; F72-F133 AromaticContact CD1-CE2 3.38Å; F72-F133 HydrophobicContact CD1-CE2 3.38Å; F72-F133 HydrophobicContact CE1-CD2 4.27Å; F72-F133 AromaticContact CE1-CE2 3.65Å; F72-F133 HydrophobicContact CE1-CE2 3.65Å; F72-F133 HydrophobicContact CG-CD2 4.4Å; F72-F133 WeakPolarHBondContact O-CA 3.22Å; V117-F133 HydrophobicContact CB-CZ 4.5Å; V117-F133 HydrophobicContact CG1-CE2 3.6Å; V117-F133 HydrophobicContact CG1-CZ 3.75Å; V119-F133 HydrophobicContact CG2-CD2 3.71Å; V119-F133 HydrophobicContact CG2-CE2 3.8Å; F133-V179 HydrophobicContact CE1-CG1 3.95Å; F133-V179 HydrophobicContact CZ-CG1 4.09Å; F133-V181 HydrophobicContact CB-CG2 4.36Å; F133-V181 HydrophobicContact CD1-CG2 4.36Å; F133-V181 HydrophobicContact CG-CG2 4.15Å; F133-G194 PolarHBondContact N-O 3.14Å; F133-F195 HydrophobicContact CB-CD2 4.27Å; F133-F195 AromaticContact CD1-CD2 3.39Å; F133-F195 HydrophobicContact CD1-CD2 3.39Å; F133-F195 AromaticContact CD1-CE2 3.19Å; F133-F195 HydrophobicContact CD1-CE2 3.19Å; F133-F195 HydrophobicContact CD1-CG 4.43Å; F133-F195 HydrophobicContact CD1-CZ 4.12Å; F133-F195 HydrophobicContact CE1-CD2 4.11Å; F133-F195 AromaticContact CE1-CE2 3.42Å; F133-F195 HydrophobicContact CE1-CE2 3.42Å; F133-F195 VanDerWaalsContact CE1-CE2 3.42Å; F133-F195 HydrophobicContact CE1-CZ 4.06Å; F133-F195 HydrophobicContact CG-CD2 4.16Å; F133-F195 HydrophobicContact CG-CE2 4.25Å; F133-F195 WeakPolarHBondContact O-CA 3.45Å; F133-T196 PolarHBondContact O-N 3.37Å |
| 134 | T | 77.9 | Confident | 72.9 | Confident | 52 Ų | 52 | 27.7 Ų | 27.7 | 32% | 0.319 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 122.5 | 175.9 | -57 | 0 | 0 | 0 | 0 | 109.3 | F72 T73 Y74 T196 | F72-T134 PolarHBondContact O-N 3.46Å; T73-T134 WeakPolarHBondContact CA-O 3.03Å; T73-T134 HydrophobicContact CG2-CG2 4.43Å; Y74-T134 PolarHBondContact N-O 3.01Å; T134-T196 WeakPolarHBondContact CA-O 3.26Å |
| 135 | Y | 74.3 | Confident | 73 | Confident | 9 Ų | 9 | 27.1 Ų | 27.1 | 4% | 0.035 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 117.9 | 163.6 | 179.8 | -85 | 0 | 0 | 0 | 107.5 | Y74 L115 V137 T196 Y197 G198 | Y74-Y135 AromaticContact CD1-CD2 3.51Å; Y74-Y135 HydrophobicContact CD1-CD2 3.51Å; Y74-Y135 AromaticContact CD1-CE2 3.42Å; Y74-Y135 HydrophobicContact CD1-CE2 3.42Å; Y74-Y135 VanDerWaalsContact CD1-CE2 3.42Å; Y74-Y135 HydrophobicContact CE1-CD2 4.17Å; Y74-Y135 AromaticContact CE1-CE2 3.57Å; Y74-Y135 HydrophobicContact CE1-CE2 3.57Å; Y74-Y135 HydrophobicContact CG-CD2 4.39Å; Y74-Y135 WeakPolarHBondContact O-CA 3.4Å; L115-Y135 HydrophobicContact CD2-CE2 3.71Å; Y135-V137 HydrophobicContact CE1-CG2 3.98Å; Y135-T196 PolarHBondContact N-O 2.86Å; Y135-Y197 AromaticContact CD1-CD2 3.44Å; Y135-Y197 HydrophobicContact CD1-CD2 3.44Å; Y135-Y197 VanDerWaalsContact CD1-CD2 3.44Å; Y135-Y197 AromaticContact CD1-CE2 3.34Å; Y135-Y197 HydrophobicContact CD1-CE2 3.34Å; Y135-Y197 HydrophobicContact CD1-CG 4.38Å; Y135-Y197 HydrophobicContact CE1-CD2 4.1Å; Y135-Y197 AromaticContact CE1-CE2 3.48Å; Y135-Y197 HydrophobicContact CE1-CE2 3.48Å; Y135-Y197 VanDerWaalsContact CE1-CE2 3.48Å; Y135-Y197 HydrophobicContact CG-CD2 4.12Å; Y135-Y197 HydrophobicContact CG-CE2 4.29Å; Y135-Y197 WeakPolarHBondContact O-CA 3.5Å; Y135-G198 PolarHBondContact O-N 3.41Å |
| 136 | G | 72 | Confident | 73.1 | Confident | 15 Ų | 15 | 22.8 Ų | 22.8 | 16% | 0.155 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 134 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y74 G75 V76 G198 | Y74-G136 PolarHBondContact O-N 2.87Å; G75-G136 VanDerWaalsContact CA-O 3.26Å; G75-G136 WeakPolarHBondContact CA-O 2.88Å; V76-G136 PolarHBondContact N-O 2.84Å; G136-G198 WeakPolarHBondContact CA-O 3.33Å |
| 137 | V | 70.9 | Confident | 73.7 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 124 | 156.2 | -175.2 | 0 | 0 | 0 | 0 | 105.8 | V76 F108 Y135 F170 G198 V199 T200 | V76-V137 WeakPolarHBondContact O-CA 3.14Å; F108-V137 HydrophobicContact CE1-CG1 3.76Å; F108-V137 HydrophobicContact CE2-CG1 4.4Å; F108-V137 HydrophobicContact CZ-CG1 3.58Å; Y135-V137 HydrophobicContact CE1-CG2 3.98Å; V137-F170 HydrophobicContact CG1-CE2 3.75Å; V137-F170 HydrophobicContact CG1-CZ 4.27Å; V137-G198 PolarHBondContact N-O 2.91Å; V137-V199 HydrophobicContact CB-CG2 4.5Å; V137-V199 WeakPolarHBondContact O-CA 3.21Å; V137-T200 PolarHBondContact O-N 2.77Å |
| 138 | T | 70.8 | Confident | 73.4 | Confident | 47 Ų | 47 | 23.3 Ų | 23.3 | 29% | 0.288 | 15% | 0.145 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 118 | 175.5 | -56.9 | 0 | 0 | 0 | 0 | 106.6 | V76 T77 D78 T200 | V76-T138 PolarHBondContact O-N 2.69Å; T77-T138 VanDerWaalsContact CA-O 3.3Å; T77-T138 WeakPolarHBondContact CA-O 3.07Å; D78-T138 PolarHBondContact N-O 2.73Å; T138-T200 WeakPolarHBondContact CA-O 3.29Å |
| 139 | D | 68.5 | Low | 73.3 | Confident | 4 Ų | 4 | 24.4 Ų | 24.4 | 2% | 0.021 | 15% | 0.152 | C | C | . | . | trans | -99.5 | 142.1 | 163.6 | -158.1 | 0.4 | 0 | 0 | 0 | 108.3 | F108 F170 T200 T202 | F108-D139 WeakPolarHBondContact CB-OD2 3.1Å; D139-F170 HydrophobicContact CB-CD2 4.22Å; D139-T200 PolarHBondContact N-O 2.82Å; D139-T202 PolarHBondContact O-N 3.01Å | ||
| 140 | T | 68.6 | Low | 72.8 | Confident | 49 Ų | 49 | 24.5 Ų | 24.5 | 30% | 0.301 | 15% | 0.153 | S | C | . | . | trans | -146.1 | 101.5 | 177.1 | -53.9 | 0 | 0 | 0 | 0 | 107 | D78 A80 | D78-T140 PolarHBondContact O-N 2.67Å; A80-T140 PolarHBondContact N-O 2.96Å | ||
| 141 | A | 63.3 | Low | 72.5 | Confident | 8 Ų | 8 | 24.4 Ų | 24.4 | 7% | 0.066 | 15% | 0.154 | C | C | . | . | P | Polyproline II helix | trans | -62.8 | 156.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | D168 T202 P204 | A141-D168 VanDerWaalsContact CA-OD2 3.25Å; A141-D168 WeakPolarHBondContact CA-OD2 3.49Å; A141-D168 HydrophobicContact CB-CB 4.39Å; A141-D168 WeakPolarHBondContact CB-OD2 3.29Å; A141-T202 WeakPolarHBondContact CB-O 3.43Å; A141-T202 PolarHBondContact N-O 2.82Å; A141-P204 HydrophobicContact CB-CB 3.44Å; A141-P204 VanDerWaalsContact CB-CB 3.44Å; A141-P204 HydrophobicContact CB-CG 3.52Å; A141-P204 VanDerWaalsContact CB-N 3.28Å |
| 142 | P | 64.7 | Low | 71.9 | Confident | 3 Ų | 3 | 24.1 Ų | 24.1 | 2% | 0.019 | 15% | 0.153 | C | C | . | . | P | Polyproline II helix | trans | -87.9 | 127.8 | 175.2 | 31.8 | -25.5 | 0 | 0 | 0 | 111.9 | A80 P81 V83 T105 V144 P204 | A80-P142 HydrophobicContact CB-CB 3.92Å; A80-P142 HydrophobicContact CB-CG 3.61Å; P81-P142 WeakPolarHBondContact O-CB 3.12Å; V83-P142 HydrophobicContact CG2-CB 4.43Å; V83-P142 HydrophobicContact CG2-CG 4.41Å; T105-P142 HydrophobicContact CG2-CG 3.83Å; P142-V144 WeakPolarHBondContact O-CG2 3.02Å; P142-V144 PolarHBondContact O-N 2.76Å; P142-P204 VanDerWaalsContact C-CB 3.48Å; P142-P204 WeakPolarHBondContact O-CB 3.33Å |
| 143 | D | 68.8 | Low | 71.6 | Confident | 76 Ų | 76 | 24.9 Ų | 24.9 | 41% | 0.406 | 15% | 0.154 | S | C | . | . | P | Polyproline II helix | trans | -53.2 | 135.1 | 176.7 | -73.5 | -13.8 | 0 | 0 | 0 | 111.5 | V83 D205 | V83-D143 PolarHBondContact N-O 2.79Å; D143-D205 PolarHBondContact OD1-N 3.17Å |
| 144 | V | 68.4 | Low | 70.9 | Confident | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.012 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 111 | -176.5 | -175.7 | 0 | 0 | 0 | 0 | 110.2 | T105 P142 T146 T164 T166 P204 D205 S207 | T105-V144 HydrophobicContact CG2-CG2 3.78Å; P142-V144 WeakPolarHBondContact O-CG2 3.02Å; P142-V144 PolarHBondContact O-N 2.76Å; V144-T146 HydrophobicContact CG1-CG2 4.07Å; V144-T164 HydrophobicContact CG1-CG2 4.29Å; V144-T166 HydrophobicContact CB-CG2 4.39Å; V144-T166 HydrophobicContact CG2-CG2 3.84Å; V144-P204 HydrophobicContact CG2-CB 4.46Å; V144-D205 PolarHBondContact N-O 3.08Å; V144-S207 PolarHBondContact O-N 2.97Å |
| 145 | S | 74.5 | Confident | 70.1 | Confident | 35 Ų | 35 | 25.4 Ų | 25.4 | 25% | 0.245 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 122.6 | 171.2 | 60.7 | 0 | 0 | 0 | 0 | 111.3 | V83 S84 T85 S207 | V83-S145 PolarHBondContact O-N 3.18Å; S84-S145 WeakPolarHBondContact CA-O 2.84Å; S84-S145 WeakPolarHBondContact CA-OG 3.24Å; S84-S145 WeakPolarHBondContact CB-OG 3.19Å; T85-S145 PolarHBondContact N-O 3.24Å; S145-S207 WeakPolarHBondContact CA-OG 3.4Å; S145-S207 WeakPolarHBondContact CB-OG 2.92Å |
| 146 | T | 69.9 | Low | 69.9 | Low | 3 Ų | 3 | 28 Ų | 28 | 2% | 0.018 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 113.9 | 176 | 66.4 | 0 | 0 | 0 | 0 | 109.8 | T85 T103 V144 S207 T208 N209 | T85-T146 WeakPolarHBondContact O-CA 3.42Å; T85-T146 WeakPolarHBondContact OG1-CG2 3.35Å; T103-T146 HydrophobicContact CG2-CG2 4.13Å; V144-T146 HydrophobicContact CG1-CG2 4.07Å; T146-S207 PolarHBondContact N-O 2.76Å; T146-S207 PolarHBondContact OG1-O 3.45Å; T146-T208 WeakPolarHBondContact OG1-CA 3.31Å; T146-T208 WeakPolarHBondContact OG1-CG2 3.39Å; T146-N209 PolarHBondContact O-N 2.02Å |
| 147 | N | 76.7 | Confident | 70.1 | Confident | 56 Ų | 56 | 29.9 Ų | 29.9 | 30% | 0.299 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 116 | 173.7 | -56.3 | -60.9 | 0 | 0 | 0 | 109.7 | T85 N86 S87 N209 | T85-N147 PolarHBondContact O-N 2.7Å; N86-N147 WeakPolarHBondContact CA-O 3.38Å; N86-N147 WeakPolarHBondContact OD1-CB 3.03Å; N86-N147 PolarHBondContact OD1-ND2 3.14Å; S87-N147 PolarHBondContact N-O 2.65Å; N147-N209 WeakPolarHBondContact CA-O 3Å; N147-N209 WeakPolarHBondContact OD1-CB 3.36Å; N147-N209 PolarHBondContact OD1-ND2 3.23Å |
| 148 | S | 72.5 | Confident | 70.3 | Confident | 7 Ų | 7 | 29.9 Ų | 29.9 | 5% | 0.049 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 124 | -178.8 | -66.8 | 0 | 0 | 0 | 0 | 111.4 | S87 N209 S210 T211 | S87-S148 WeakPolarHBondContact O-CA 3.32Å; S148-N209 PolarHBondContact N-O 3.47Å; S148-S210 WeakPolarHBondContact O-CA 3.3Å; S148-T211 PolarHBondContact O-N 3.44Å |
| 149 | T | 78.8 | Confident | 70.5 | Confident | 59 Ų | 59 | 29.9 Ų | 29.9 | 36% | 0.362 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 113 | 168.8 | -58.3 | 0 | 0 | 0 | 0 | 109.1 | S87 T88 I89 T211 | S87-T149 PolarHBondContact O-N 3.36Å; T88-T149 CarbonylContact C-O 3.5Å; T88-T149 WeakPolarHBondContact CA-O 3.3Å; I89-T149 PolarHBondContact N-O 3.37Å; T149-T211 CarbonylContact C-O 3.57Å; T149-T211 WeakPolarHBondContact CA-O 3.1Å |
| 150 | I | 73.9 | Confident | 70.6 | Confident | 3 Ų | 3 | 29.7 Ų | 29.7 | 2% | 0.015 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 121.8 | -177.9 | -53.4 | 176.5 | 0 | 0 | 0 | 109.1 | I89 F97 F158 T211 I212 T213 | I89-I150 CarbonylContact O-C 3.57Å; I89-I150 WeakPolarHBondContact O-CA 2.94Å; F97-I150 HydrophobicContact CE1-CG2 3.8Å; F97-I150 HydrophobicContact CZ-CG2 4.2Å; I150-F158 HydrophobicContact CG2-CE2 4Å; I150-F158 HydrophobicContact CG2-CZ 3.78Å; I150-T211 PolarHBondContact N-O 2.83Å; I150-I212 HydrophobicContact CB-CG1 4.45Å; I150-I212 CarbonylContact O-C 3.47Å; I150-I212 WeakPolarHBondContact O-CA 3.46Å; I150-T213 PolarHBondContact O-N 2.95Å |
| 151 | T | 74.3 | Confident | 70.7 | Confident | 49 Ų | 49 | 29.4 Ų | 29.4 | 30% | 0.301 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 121.2 | 176.2 | -55.2 | 0 | 0 | 0 | 0 | 110.3 | I89 T90 A91 T213 | I89-T151 PolarHBondContact O-N 2.54Å; T90-T151 CarbonylContact C-O 3.5Å; T90-T151 WeakPolarHBondContact CA-O 3.16Å; A91-T151 PolarHBondContact N-O 2.89Å; T151-T213 CarbonylContact C-O 3.59Å; T151-T213 WeakPolarHBondContact CA-O 3.31Å |
| 152 | A | 68.8 | Low | 70.7 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 135.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A91 T155 F158 T213 A214 S215 | A91-A152 CarbonylContact O-C 3.58Å; A91-A152 VanDerWaalsContact O-CA 3.28Å; A91-A152 WeakPolarHBondContact O-CA 3.48Å; A152-T155 HydrophobicContact CB-CG2 4.46Å; A152-F158 HydrophobicContact CB-CD2 3.47Å; A152-F158 VanDerWaalsContact CB-CD2 3.47Å; A152-F158 HydrophobicContact CB-CE2 3.48Å; A152-F158 VanDerWaalsContact CB-CE2 3.48Å; A152-T213 PolarHBondContact N-O 3.37Å; A152-A214 WeakPolarHBondContact O-CA 3.34Å; A152-S215 PolarHBondContact O-N 2.98Å |
| 153 | S | 68 | Low | 70.7 | Confident | 44 Ų | 44 | 30.7 Ų | 30.7 | 31% | 0.308 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 126.5 | 177.1 | 36.9 | 0 | 0 | 0 | 0 | 111.2 | A91 S92 A93 | A91-S153 PolarHBondContact O-N 2.66Å; A91-S153 PolarHBondContact O-OG 2.86Å; S92-S153 WeakPolarHBondContact CA-O 3.44Å; A93-S153 PolarHBondContact N-O 3.09Å |
| 154 | A | 64.4 | Low | 70.3 | Confident | 62 Ų | 62 | 27.2 Ų | 27.2 | 51% | 0.512 | 17% | 0.172 | S | C | . | . | S | Bend | trans | 61.4 | 59.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | S215 | A154-S215 PolarHBondContact N-O 3.3Š|
| 155 | T | 61.2 | Low | 69.8 | Low | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.012 | 18% | 0.182 | C | C | . | . | trans | -123.8 | 130.2 | 179.6 | 61.3 | 0 | 0 | 0 | 0 | 113.8 | T94 F97 A152 A216 T217 | T94-T155 WeakPolarHBondContact O-CA 3.38Å; T94-T155 VanDerWaalsContact O-CB 3.23Å; T94-T155 WeakPolarHBondContact O-CB 3.44Å; T94-T155 WeakPolarHBondContact O-CG2 3.32Å; T94-T155 WeakPolarHBondContact OG1-CG2 3.49Å; F97-T155 HydrophobicContact CB-CG2 4.5Å; A152-T155 HydrophobicContact CB-CG2 4.46Å; T155-A216 PolarHBondContact N-O 2.57Å; T155-T217 WeakPolarHBondContact O-CA 3.47Å; T155-T217 VanDerWaalsContact O-CB 3.23Å; T155-T217 WeakPolarHBondContact O-CB 3.33Å; T155-T217 VanDerWaalsContact O-CG2 3.24Å; T155-T217 WeakPolarHBondContact O-CG2 3.44Å; T155-T217 WeakPolarHBondContact OG1-CG2 3.35Å | ||
| 156 | T | 68.6 | Low | 68.9 | Low | 65 Ų | 65 | 27.2 Ų | 27.2 | 40% | 0.399 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -66.8 | -46.1 | -177.1 | 44.9 | 0 | 0 | 0 | 0 | 113.4 | T95 T218 N219 | T95-T156 WeakPolarHBondContact CA-OG1 3.06Å; T95-T156 PolarHBondContact O-N 2.64Å; T95-T156 VanDerWaalsContact O-N 3.13Å; T95-T156 PolarHBondContact O-OG1 2.74Å; T156-T218 VanDerWaalsContact C-OG1 3.27Å; T156-T218 WeakPolarHBondContact CA-OG1 3.35Å; T156-T218 WeakPolarHBondContact O-CA 3.49Å; T156-T218 WeakPolarHBondContact O-CB 3.45Å; T156-T218 PolarHBondContact O-N 3.16Å; T156-T218 PolarHBondContact O-OG1 3.1Å; T156-N219 PolarHBondContact O-N 2.7Å |
| 157 | N | 76 | Confident | 68.2 | Low | 53 Ų | 53 | 31 Ų | 31 | 28% | 0.283 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 122.8 | 173.9 | -55.1 | -60.2 | 0 | 0 | 0 | 110.4 | T95 N96 F97 N219 | T95-N157 PolarHBondContact O-N 3.38Å; N96-N157 WeakPolarHBondContact CA-O 3.44Å; N96-N157 WeakPolarHBondContact OD1-CB 3.5Å; N96-N157 PolarHBondContact OD1-ND2 3.02Å; F97-N157 PolarHBondContact N-O 2.92Å; N157-N219 WeakPolarHBondContact OD1-CB 3.45Å; N157-N219 PolarHBondContact OD1-ND2 2.74Å |
| 158 | F | 75 | Confident | 67 | Low | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 116 | 174.5 | -178.6 | -84.7 | 0 | 0 | 0 | 108.6 | F97 I150 A152 T160 I212 T217 N219 F220 T221 | F97-F158 HydrophobicContact CB-CD2 4.39Å; F97-F158 AromaticContact CD1-CD2 3.44Å; F97-F158 HydrophobicContact CD1-CD2 3.44Å; F97-F158 VanDerWaalsContact CD1-CD2 3.44Å; F97-F158 AromaticContact CD1-CE2 3.27Å; F97-F158 HydrophobicContact CD1-CE2 3.27Å; F97-F158 HydrophobicContact CD1-CG 4.43Å; F97-F158 HydrophobicContact CD1-CZ 4.17Å; F97-F158 HydrophobicContact CE1-CD2 4.08Å; F97-F158 AromaticContact CE1-CE2 3.42Å; F97-F158 HydrophobicContact CE1-CE2 3.42Å; F97-F158 VanDerWaalsContact CE1-CE2 3.42Å; F97-F158 HydrophobicContact CE1-CZ 4.09Å; F97-F158 HydrophobicContact CG-CD2 4.31Å; F97-F158 HydrophobicContact CG-CE2 4.44Å; I150-F158 HydrophobicContact CG2-CE2 4Å; I150-F158 HydrophobicContact CG2-CZ 3.78Å; A152-F158 HydrophobicContact CB-CD2 3.47Å; A152-F158 VanDerWaalsContact CB-CD2 3.47Å; A152-F158 HydrophobicContact CB-CE2 3.48Å; A152-F158 VanDerWaalsContact CB-CE2 3.48Å; F158-T160 HydrophobicContact CE1-CG2 3.75Å; F158-T160 HydrophobicContact CZ-CG2 4.32Å; F158-I212 HydrophobicContact CE1-CG2 3.87Å; F158-I212 HydrophobicContact CZ-CG2 3.78Å; F158-T217 HydrophobicContact CB-CG2 4.49Å; F158-N219 PolarHBondContact N-O 2.85Å; F158-F220 HydrophobicContact CB-CD2 4.24Å; F158-F220 AromaticContact CD1-CD2 3.35Å; F158-F220 HydrophobicContact CD1-CD2 3.35Å; F158-F220 AromaticContact CD1-CE2 3.3Å; F158-F220 HydrophobicContact CD1-CE2 3.3Å; F158-F220 HydrophobicContact CD1-CG 4.19Å; F158-F220 HydrophobicContact CD1-CZ 4.11Å; F158-F220 AromaticContact CE1-CD2 3.93Å; F158-F220 HydrophobicContact CE1-CD2 3.93Å; F158-F220 AromaticContact CE1-CE2 3.35Å; F158-F220 HydrophobicContact CE1-CE2 3.35Å; F158-F220 AromaticContact CE1-CZ 3.91Å; F158-F220 HydrophobicContact CE1-CZ 3.91Å; F158-F220 AromaticContact CG-CD2 3.99Å; F158-F220 HydrophobicContact CG-CD2 3.99Å; F158-F220 HydrophobicContact CG-CE2 4.21Å; F158-F220 HydrophobicContact CZ-CE2 4.27Å; F158-F220 CarbonylContact O-C 3.54Å; F158-F220 WeakPolarHBondContact O-CA 3.23Å; F158-T221 PolarHBondContact O-N 3.43Å |
| 159 | T | 76 | Confident | 66.3 | Low | 48 Ų | 48 | 29.6 Ų | 29.6 | 29% | 0.294 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 126.3 | 175.4 | -53.9 | 0 | 0 | 0 | 0 | 108.7 | F97 T98 T99 T221 | F97-T159 PolarHBondContact O-N 2.89Å; T98-T159 VanDerWaalsContact CA-O 3.26Å; T98-T159 WeakPolarHBondContact CA-O 3.41Å; T99-T159 PolarHBondContact N-O 2.67Å; T159-T221 CarbonylContact C-O 3.54Å; T159-T221 VanDerWaalsContact CA-O 3.29Å; T159-T221 WeakPolarHBondContact CA-O 3.47Å |
| 160 | T | 70.8 | Confident | 65.5 | Low | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 135.9 | 173.8 | -167.2 | 0 | 0 | 0 | 0 | 110.2 | T99 F158 I212 T221 T222 T223 | T99-T160 PolarHBondContact OG1-OG1 3.4Å; F158-T160 HydrophobicContact CE1-CG2 3.75Å; F158-T160 HydrophobicContact CZ-CG2 4.32Å; T160-I212 HydrophobicContact CG2-CD1 3.96Å; T160-T221 PolarHBondContact N-O 3.48Å; T160-T222 WeakPolarHBondContact CG2-OG1 3.13Å; T160-T222 WeakPolarHBondContact O-CA 3.49Å; T160-T223 PolarHBondContact O-N 2.88Å |
| 161 | T | 69.3 | Low | 64.8 | Low | 42 Ų | 42 | 28.9 Ų | 28.9 | 26% | 0.258 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 113.6 | 177 | -54.8 | 0 | 0 | 0 | 0 | 108.1 | T99 T100 T101 T223 | T99-T161 PolarHBondContact O-N 2.87Å; T100-T161 WeakPolarHBondContact CA-O 3.34Å; T101-T161 PolarHBondContact N-O 3.13Å; T161-T223 CarbonylContact C-O 3.41Å; T161-T223 WeakPolarHBondContact CA-O 3.43Å |
| 162 | T | 64 | Low | 64.3 | Low | 3 Ų | 3 | 27.3 Ų | 27.3 | 2% | 0.018 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 117.9 | 172.2 | -54.6 | 0 | 0 | 0 | 0 | 107.1 | T223 T224 T225 | T162-T223 PolarHBondContact N-O 3.42Å; T162-T224 CarbonylContact O-C 3.19Å; T162-T224 WeakPolarHBondContact O-CA 3.14Å; T162-T225 PolarHBondContact O-N 3.01Å |
| 163 | T | 64.9 | Low | 63.4 | Low | 36 Ų | 36 | 29 Ų | 29 | 22% | 0.221 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 109.7 | 177.5 | -54.7 | 0 | 0 | 0 | 0 | 108.4 | T101 T102 T225 | T101-T163 PolarHBondContact O-N 2.71Å; T102-T163 WeakPolarHBondContact CA-O 3.39Å; T163-T225 CarbonylContact C-O 3.59Å; T163-T225 WeakPolarHBondContact CA-O 3.49Å |
| 164 | T | 60 | Low | 62.7 | Low | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.012 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 112.8 | 173.2 | -55.2 | 0 | 0 | 0 | 0 | 106.9 | V144 V206 T208 T225 T226 T227 | V144-T164 HydrophobicContact CG1-CG2 4.29Å; T164-V206 HydrophobicContact CG2-CG1 3.86Å; T164-T208 HydrophobicContact CG2-CG2 4.32Å; T164-T225 PolarHBondContact N-O 2.84Å; T164-T226 WeakPolarHBondContact O-CA 3.46Å; T164-T227 PolarHBondContact O-N 3.1Å |
| 165 | T | 59 | Low | 62.1 | Low | 34 Ų | 34 | 30.8 Ų | 30.8 | 21% | 0.209 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 101.1 | -177.3 | -19.9 | 0 | 0 | 0 | 0 | 107.4 | T103 T104 T167 T227 | T103-T165 PolarHBondContact O-N 3.43Å; T103-T165 VanDerWaalsContact O-N 3.12Å; T104-T165 WeakPolarHBondContact CA-O 3.4Å; T165-T167 PolarHBondContact O-N 2.84Å; T165-T227 WeakPolarHBondContact CA-OG1 3.48Å; T165-T227 WeakPolarHBondContact CG2-OG1 3.48Å |
| 166 | T | 55.4 | Low | 62.2 | Low | 3 Ų | 3 | 32.5 Ų | 32.5 | 2% | 0.018 | 19% | 0.194 | C | C | . | . | trans | -93.5 | 91.4 | 169.6 | 51.7 | 0 | 0 | 0 | 0 | 107.3 | V144 D168 P204 V206 T227 | V144-T166 HydrophobicContact CB-CG2 4.39Å; V144-T166 HydrophobicContact CG2-CG2 3.84Å; T166-D168 VanDerWaalsContact C-N 3.35Å; T166-D168 PolarHBondContact O-N 2.91Å; T166-P204 HydrophobicContact CG2-CG 4.07Å; T166-V206 HydrophobicContact CG2-CG2 3.78Å; T166-T227 PolarHBondContact N-O 3.34Å; T166-T227 PolarHBondContact OG1-O 3.31Å | ||
| 167 | T | 53.7 | Low | 62 | Low | 84 Ų | 84 | 29.9 Ų | 29.9 | 52% | 0.515 | 18% | 0.177 | S | C | . | . | trans | -90.4 | 74.9 | 170.2 | 32.2 | 0 | 0 | 0 | 0 | 108.7 | D106 T165 G169 | D106-T167 CarbonylContact C-O 3.35Å; T165-T167 PolarHBondContact O-N 2.84Å; T167-G169 VanDerWaalsContact C-N 3.28Å | ||
| 168 | D | 52.9 | Low | 61.9 | Low | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | trans | -96.7 | 41.9 | 169.2 | -163.4 | 4 | 0 | 0 | 0 | 112.3 | G107 A141 T166 F170 | G107-D168 VanDerWaalsContact CA-OD1 3.3Å; G107-D168 WeakPolarHBondContact CA-OD1 3.34Å; A141-D168 VanDerWaalsContact CA-OD2 3.25Å; A141-D168 WeakPolarHBondContact CA-OD2 3.49Å; A141-D168 HydrophobicContact CB-CB 4.39Å; A141-D168 WeakPolarHBondContact CB-OD2 3.29Å; T166-D168 VanDerWaalsContact C-N 3.35Å; T166-D168 PolarHBondContact O-N 2.91Å; D168-F170 PolarHBondContact O-N 2.85Å | ||
| 169 | G | 56.5 | Low | 61.8 | Low | 28 Ų | 28 | 30.1 Ų | 30.1 | 29% | 0.289 | 18% | 0.179 | S | C | . | . | trans | -62.6 | 102.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | F108 T167 N171 D229 | F108-G169 VanDerWaalsContact O-O 3.14Å; T167-G169 VanDerWaalsContact C-N 3.28Å; G169-N171 PolarHBondContact O-N 2.75Å; G169-D229 WeakPolarHBondContact CA-OD1 2.98Å; G169-D229 PolarHBondContact N-OD1 3.17Å; G169-D229 VanDerWaalsContact N-OD1 3.15Å | ||
| 170 | F | 62.4 | Low | 61.9 | Low | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -60.9 | 102.4 | 168.1 | 178.4 | -88.5 | 0 | 0 | 0 | 108.7 | F108 V137 D139 D168 Q172 V199 D201 F231 N232 | F108-F170 AromaticContact CD1-CD2 3.48Å; F108-F170 HydrophobicContact CD1-CD2 3.48Å; F108-F170 VanDerWaalsContact CD1-CD2 3.48Å; F108-F170 AromaticContact CD1-CE2 3.5Å; F108-F170 HydrophobicContact CD1-CE2 3.5Å; F108-F170 HydrophobicContact CD1-CG 4.38Å; F108-F170 HydrophobicContact CD1-CZ 4.42Å; F108-F170 HydrophobicContact CE1-CD2 4.01Å; F108-F170 AromaticContact CE1-CE2 3.5Å; F108-F170 HydrophobicContact CE1-CE2 3.5Å; F108-F170 HydrophobicContact CE1-CZ 4.18Å; F108-F170 HydrophobicContact CG-CD2 4.33Å; V137-F170 HydrophobicContact CG1-CE2 3.75Å; V137-F170 HydrophobicContact CG1-CZ 4.27Å; D139-F170 HydrophobicContact CB-CD2 4.22Å; D168-F170 PolarHBondContact O-N 2.85Å; F170-Q172 HydrophobicContact CE1-CB 3.81Å; F170-Q172 HydrophobicContact CZ-CB 4.18Å; F170-V199 HydrophobicContact CE1-CG1 3.87Å; F170-V199 HydrophobicContact CE2-CG1 3.98Å; F170-V199 HydrophobicContact CZ-CG1 3.43Å; F170-V199 VanDerWaalsContact CZ-CG1 3.43Å; F170-D201 HydrophobicContact CB-CB 4.49Å; F170-D201 WeakPolarHBondContact CB-OD2 3.35Å; F170-F231 HydrophobicContact CB-CD2 4.09Å; F170-F231 AromaticContact CD1-CD2 3.66Å; F170-F231 HydrophobicContact CD1-CD2 3.66Å; F170-F231 AromaticContact CD1-CE2 3.39Å; F170-F231 HydrophobicContact CD1-CE2 3.39Å; F170-F231 HydrophobicContact CD1-CZ 4.08Å; F170-F231 HydrophobicContact CE1-CD2 4.45Å; F170-F231 AromaticContact CE1-CE2 3.73Å; F170-F231 HydrophobicContact CE1-CE2 3.73Å; F170-F231 HydrophobicContact CE1-CZ 4.13Å; F170-F231 HydrophobicContact CG-CD2 4.08Å; F170-F231 HydrophobicContact CG-CE2 4.09Å; F170-N232 CarbonylContact O-C 3.54Å; F170-N232 WeakPolarHBondContact O-CA 3.41Å; F170-N232 PolarHBondContact O-N 2.85Å | ||
| 171 | N | 60.3 | Low | 62.3 | Low | 48 Ų | 48 | 30.2 Ų | 30.2 | 26% | 0.257 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 99.8 | -177.6 | -157.1 | -44.3 | 0 | 0 | 0 | 110.9 | F108 N109 Q110 G169 N232 | F108-N171 PolarHBondContact O-N 2.67Å; N109-N171 WeakPolarHBondContact CA-O 3.11Å; N109-N171 PolarHBondContact OD1-O 3.14Å; Q110-N171 PolarHBondContact N-O 3.13Å; G169-N171 PolarHBondContact O-N 2.75Å; N171-N232 WeakPolarHBondContact CA-O 3.09Å |
| 172 | Q | 62.1 | Low | 63 | Low | 15 Ų | 15 | 30.5 Ų | 30.5 | 7% | 0.07 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 97 | 171.9 | -171.3 | -179.7 | 61.3 | 0 | 0 | 109.7 | F170 N232 Q233 S234 | F170-Q172 HydrophobicContact CE1-CB 3.81Å; F170-Q172 HydrophobicContact CZ-CB 4.18Å; Q172-N232 PolarHBondContact N-O 2.82Å; Q172-N232 VanDerWaalsContact N-O 3.13Å; Q172-Q233 HydrophobicContact CB-CG 4.44Å; Q172-S234 PolarHBondContact O-N 2.88Å |
| 173 | S | 51.4 | Low | 63.9 | Low | 37 Ų | 37 | 30.7 Ų | 30.7 | 26% | 0.259 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 108.5 | -178.6 | 64.5 | 0 | 0 | 0 | 0 | 113.3 | Q110 S111 S234 | Q110-S173 PolarHBondContact O-N 2.73Å; Q110-S173 VanDerWaalsContact O-N 3.15Å; S111-S173 WeakPolarHBondContact CA-O 3.06Å; S173-S234 VanDerWaalsContact CA-O 3.29Å; S173-S234 WeakPolarHBondContact CA-O 3.49Å |
| 174 | K | 52.1 | Low | 64.7 | Low | 120 Ų | 120 | 31 Ų | 31 | 52% | 0.522 | 19% | 0.193 | S | C | . | . | trans | 73.6 | 129.1 | 176.6 | -66.1 | 179 | -176.8 | 169.3 | 0 | 118.5 | K112 S234 K235 | K112-K174 CarbonylContact C-O 3.56Å; K112-K174 PolarHBondContact N-O 3.49Å; K112-K174 CarbonylContact O-C 3.51Å; K174-S234 PolarHBondContact N-O 2.77Å; K174-S234 VanDerWaalsContact N-O 3.15Å; K174-K235 WeakPolarHBondContact CA-O 3.46Å; K174-K235 HydrophobicContact CD-CD 4.37Å; K174-K235 HydrophobicContact CG-CB 3.79Å; K174-K235 HydrophobicContact CG-CD 3.98Å; K174-K235 PolarHBondContact N-O 2.92Å | ||
| 175 | S | 53.1 | Low | 65.7 | Low | 22 Ų | 22 | 30.9 Ų | 30.9 | 15% | 0.154 | 19% | 0.192 | C | C | . | . | trans | 166.7 | 144.4 | 140.6 | 40.4 | 0 | 0 | 0 | 0 | 109.5 | K112 K235 S236 | K112-S175 WeakPolarHBondContact O-CB 2.96Å; S175-K235 PolarHBondContact N-O 2.92Å; S175-S236 WeakPolarHBondContact O-CA 3.48Å; S175-S236 WeakPolarHBondContact O-CB 3.39Å | ||
| 176 | S | 62.1 | Low | 66.6 | Low | 38 Ų | 38 | 31.5 Ų | 31.5 | 27% | 0.266 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 129.1 | 169.4 | 50.5 | 0 | 0 | 0 | 0 | 109.7 | L115 S237 | L115-S176 PolarHBondContact N-O 2.71Å; S176-S237 VanDerWaalsContact CB-OG 3.26Å; S176-S237 WeakPolarHBondContact CB-OG 3.43Å |
| 177 | L | 65.8 | Low | 67.2 | Low | 11 Ų | 11 | 35.3 Ų | 35.3 | 6% | 0.058 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 108.2 | 175.6 | 175 | 55.4 | 0 | 0 | 0 | 108.1 | L115 V179 Y197 S237 L238 N239 | L115-L177 HydrophobicContact CB-CD1 4.05Å; L115-L177 HydrophobicContact CD2-CD1 3.79Å; L115-L177 HydrophobicContact CG-CD1 3.79Å; L115-L177 WeakPolarHBondContact O-CA 3.06Å; L177-V179 HydrophobicContact CD1-CG2 3.49Å; L177-V179 VanDerWaalsContact CD1-CG2 3.49Å; L177-V179 HydrophobicContact CD2-CG2 4.24Å; L177-V179 HydrophobicContact CG-CG2 3.69Å; L177-Y197 HydrophobicContact CD2-CD2 4.18Å; L177-Y197 HydrophobicContact CD2-CE2 3.58Å; L177-S237 PolarHBondContact N-O 2.86Å; L177-L238 HydrophobicContact CB-CD1 3.9Å; L177-L238 HydrophobicContact CD2-CD1 3.67Å; L177-L238 HydrophobicContact CG-CD1 3.62Å; L177-L238 WeakPolarHBondContact O-CA 3.16Å; L177-N239 PolarHBondContact O-N 3.22Å |
| 178 | N | 73.4 | Confident | 67.9 | Low | 54 Ų | 54 | 31.6 Ų | 31.6 | 29% | 0.289 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 115.4 | 173.9 | -58.3 | -59.7 | 0 | 0 | 0 | 108.7 | L115 N116 V117 N239 | L115-N178 PolarHBondContact O-N 2.76Å; L115-N178 VanDerWaalsContact O-N 3.09Å; N116-N178 WeakPolarHBondContact CA-O 3.36Å; N116-N178 WeakPolarHBondContact OD1-CB 3.19Å; N116-N178 PolarHBondContact OD1-ND2 3.41Å; V117-N178 PolarHBondContact N-O 3.26Å; N178-N239 WeakPolarHBondContact CA-O 3.47Å; N178-N239 WeakPolarHBondContact OD1-CB 3.48Å; N178-N239 PolarHBondContact OD1-ND2 2.76Å |
| 179 | V | 73 | Confident | 69.2 | Low | 4 Ų | 4 | 33.8 Ų | 33.8 | 2% | 0.024 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 120.1 | -179.5 | -170.3 | 0 | 0 | 0 | 0 | 109.6 | V117 F133 L177 V181 F195 N239 V240 A241 | V117-V179 HydrophobicContact CB-CG1 4.35Å; V117-V179 HydrophobicContact CB-CG2 4.46Å; V117-V179 WeakPolarHBondContact O-CA 3.41Å; F133-V179 HydrophobicContact CE1-CG1 3.95Å; F133-V179 HydrophobicContact CZ-CG1 4.09Å; L177-V179 HydrophobicContact CD1-CG2 3.49Å; L177-V179 VanDerWaalsContact CD1-CG2 3.49Å; L177-V179 HydrophobicContact CD2-CG2 4.24Å; L177-V179 HydrophobicContact CG-CG2 3.69Å; V179-V181 HydrophobicContact CG1-CG2 3.94Å; V179-F195 HydrophobicContact CB-CE2 4.38Å; V179-F195 HydrophobicContact CB-CZ 4.45Å; V179-F195 HydrophobicContact CG1-CE2 3.55Å; V179-F195 HydrophobicContact CG1-CZ 4.06Å; V179-N239 PolarHBondContact N-O 3.33Å; V179-V240 HydrophobicContact CB-CG1 4.32Å; V179-V240 WeakPolarHBondContact O-CA 3.31Å; V179-A241 PolarHBondContact O-N 2.92Å |
| 180 | A | 78.3 | Confident | 70.5 | Confident | 49 Ų | 49 | 34.3 Ų | 34.3 | 41% | 0.405 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 114.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | V117 A118 V119 A241 | V117-A180 PolarHBondContact O-N 3.23Å; A118-A180 WeakPolarHBondContact CA-O 3.3Å; V119-A180 PolarHBondContact N-O 3.46Å; A180-A241 WeakPolarHBondContact CA-O 3.38Å |
| 181 | V | 79.2 | Confident | 71.7 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 125.5 | 177.7 | -174.3 | 0 | 0 | 0 | 0 | 109.3 | V119 F133 V179 F195 A241 S243 | V119-V181 HydrophobicContact CB-CG2 4.47Å; V119-V181 WeakPolarHBondContact O-CA 3.25Å; F133-V181 HydrophobicContact CB-CG2 4.36Å; F133-V181 HydrophobicContact CD1-CG2 4.36Å; F133-V181 HydrophobicContact CG-CG2 4.15Å; V179-V181 HydrophobicContact CG1-CG2 3.94Å; V181-F195 HydrophobicContact CG2-CD2 3.81Å; V181-F195 HydrophobicContact CG2-CE2 3.99Å; V181-A241 PolarHBondContact N-O 2.88Å; V181-S243 PolarHBondContact O-N 2.83Å; V181-S243 PolarHBondContact O-OG 3Å |
| 182 | S | 82.9 | Confident | 72.9 | Confident | 47 Ų | 47 | 34.3 Ų | 34.3 | 33% | 0.329 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 133.7 | 179 | 59.4 | 0 | 0 | 0 | 0 | 111.2 | V119 S120 A121 Q131 S243 | V119-S182 PolarHBondContact O-N 3.04Å; V119-S182 PolarHBondContact O-OG 2.7Å; S120-S182 WeakPolarHBondContact CA-O 3.21Å; A121-S182 PolarHBondContact N-O 2.82Å; Q131-S182 PolarHBondContact NE2-O 2.61Å; S182-S243 WeakPolarHBondContact CA-O 3.47Å |
| 183 | A | 82.5 | Confident | 73.9 | Confident | 7 Ų | 7 | 33.9 Ų | 33.9 | 6% | 0.058 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 140.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A121 F129 Q131 F191 S243 A244 S245 | A121-A183 WeakPolarHBondContact O-CA 3.3Å; F129-A183 HydrophobicContact CE1-CB 3.44Å; F129-A183 VanDerWaalsContact CE1-CB 3.44Å; F129-A183 HydrophobicContact CZ-CB 3.41Å; F129-A183 VanDerWaalsContact CZ-CB 3.41Å; Q131-A183 VanDerWaalsContact OE1-CB 3.3Å; A183-F191 HydrophobicContact CB-CE2 3.83Å; A183-F191 HydrophobicContact CB-CZ 3.55Å; A183-S243 PolarHBondContact N-O 2.93Å; A183-S243 VanDerWaalsContact N-O 3.1Å; A183-A244 WeakPolarHBondContact O-CA 3.5Å; A183-S245 PolarHBondContact O-N 3.36Å; A183-S245 VanDerWaalsContact O-N 3.11Å |
| 184 | S | 81.6 | Confident | 75.4 | Confident | 42 Ų | 42 | 33.4 Ų | 33.4 | 29% | 0.294 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 134.3 | 175.1 | 62.1 | 0 | 0 | 0 | 0 | 112.2 | A121 S122 N123 S245 | A121-S184 PolarHBondContact O-N 3.43Å; S122-S184 WeakPolarHBondContact CA-O 3.5Å; N123-S184 PolarHBondContact N-O 3.16Å; S184-S245 WeakPolarHBondContact CA-O 3.38Å |
| 185 | N | 82.3 | Confident | 76.8 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -128.8 | 82.8 | 167.1 | -169.3 | 8.9 | 0 | 0 | 0 | 109.2 | N123 G126 F129 V187 G188 F191 S245 N246 | N123-N185 PolarHBondContact O-OD1 3.46Å; G126-N185 PolarHBondContact O-ND2 3.43Å; G126-N185 PolarHBondContact O-OD1 3.32Å; F129-N185 HydrophobicContact CB-CB 3.85Å; F129-N185 WeakPolarHBondContact CB-ND2 3.2Å; F129-N185 HydrophobicContact CD2-CB 4.28Å; F129-N185 HydrophobicContact CG-CB 4.13Å; N185-V187 PolarHBondContact O-N 2.72Å; N185-G188 WeakPolarHBondContact ND2-CA 3.48Å; N185-F191 HydrophobicContact CB-CD2 3.72Å; N185-F191 HydrophobicContact CB-CE2 4.38Å; N185-S245 PolarHBondContact N-O 3.31Å; N185-N246 PolarHBondContact O-OD1 3.31Å | ||
| 186 | P | 76.7 | Confident | 78.2 | Confident | 47 Ų | 47 | 29.4 Ų | 29.4 | 31% | 0.305 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | -34.4 | -177.2 | -29.4 | 35.9 | 0 | 0 | 0 | 115.3 | ||
| 187 | V | 69.8 | Low | 79 | Confident | 84 Ų | 84 | 27.9 Ų | 27.9 | 51% | 0.509 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -142.1 | 77 | -172.6 | -165.5 | 0 | 0 | 0 | 0 | 110 | N185 | N185-V187 PolarHBondContact O-N 2.72Š|
| 188 | G | 68.4 | Low | 79.6 | Confident | 5 Ų | 5 | 28.2 Ų | 28.2 | 5% | 0.052 | 19% | 0.19 | C | C | . | . | trans | -157 | 137.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | G126 N185 T190 N246 V248 G249 | G126-G188 WeakPolarHBondContact O-CA 3.47Å; N185-G188 WeakPolarHBondContact ND2-CA 3.48Å; G188-T190 PolarHBondContact O-N 2.99Å; G188-N246 PolarHBondContact O-ND2 2.88Å; G188-N246 VanDerWaalsContact O-ND2 3.16Å; G188-N246 PolarHBondContact O-OD1 2.78Å; G188-V248 PolarHBondContact N-O 3.47Å; G188-V248 VanDerWaalsContact N-O 3.14Å; G188-G249 WeakPolarHBondContact O-CA 3.2Å | ||
| 189 | S | 79.7 | Confident | 79.6 | Confident | 50 Ų | 50 | 25.6 Ų | 25.6 | 35% | 0.35 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -58.4 | -38.4 | -176.9 | 32.1 | 0 | 0 | 0 | 0 | 114.4 | S127 S250 T251 | S127-S189 WeakPolarHBondContact CB-OG 3.17Å; S127-S189 PolarHBondContact O-N 3.07Å; S127-S189 PolarHBondContact O-OG 3.45Å; S189-S250 WeakPolarHBondContact CA-OG 3.29Å; S189-S250 WeakPolarHBondContact CB-OG 3.48Å; S189-S250 PolarHBondContact O-N 3.19Å; S189-S250 PolarHBondContact O-OG 3.45Å; S189-T251 PolarHBondContact O-N 3.48Å |
| 190 | T | 82.8 | Confident | 79.8 | Confident | 39 Ų | 39 | 27.7 Ų | 27.7 | 24% | 0.239 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 130.4 | -173.4 | -51.4 | 0 | 0 | 0 | 0 | 111.2 | S127 T128 F129 G188 | S127-T190 PolarHBondContact O-N 2.89Å; T128-T190 WeakPolarHBondContact CA-O 3.48Å; F129-T190 PolarHBondContact N-O 2.95Å; G188-T190 PolarHBondContact O-N 2.99Å |
| 191 | F | 87.4 | Confident | 79.5 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 124.8 | 176.4 | -179.8 | -79.5 | 0 | 0 | 0 | 110.7 | F129 A183 N185 Q193 A244 N246 T251 F252 N253 | F129-F191 HydrophobicContact CB-CD2 4.16Å; F129-F191 AromaticContact CD1-CD2 3.51Å; F129-F191 HydrophobicContact CD1-CD2 3.51Å; F129-F191 AromaticContact CD1-CE2 3.45Å; F129-F191 HydrophobicContact CD1-CE2 3.45Å; F129-F191 VanDerWaalsContact CD1-CE2 3.45Å; F129-F191 HydrophobicContact CD1-CG 4.26Å; F129-F191 HydrophobicContact CD1-CZ 4.12Å; F129-F191 HydrophobicContact CE1-CD2 4.14Å; F129-F191 AromaticContact CE1-CE2 3.57Å; F129-F191 HydrophobicContact CE1-CE2 3.57Å; F129-F191 AromaticContact CE1-CZ 3.99Å; F129-F191 HydrophobicContact CE1-CZ 3.99Å; F129-F191 AromaticContact CG-CD2 3.95Å; F129-F191 HydrophobicContact CG-CD2 3.95Å; F129-F191 HydrophobicContact CG-CE2 4.14Å; F129-F191 HydrophobicContact CZ-CE2 4.32Å; F129-F191 WeakPolarHBondContact O-CA 3.44Å; A183-F191 HydrophobicContact CB-CE2 3.83Å; A183-F191 HydrophobicContact CB-CZ 3.55Å; N185-F191 HydrophobicContact CB-CD2 3.72Å; N185-F191 HydrophobicContact CB-CE2 4.38Å; F191-Q193 HydrophobicContact CE1-CB 3.61Å; F191-Q193 HydrophobicContact CZ-CB 4Å; F191-A244 HydrophobicContact CE1-CB 3.38Å; F191-A244 HydrophobicContact CZ-CB 3.39Å; F191-N246 HydrophobicContact CB-CB 3.88Å; F191-N246 WeakPolarHBondContact CB-ND2 3.39Å; F191-N246 HydrophobicContact CD2-CB 4.24Å; F191-N246 HydrophobicContact CG-CB 4.1Å; F191-T251 PolarHBondContact N-O 2.68Å; F191-F252 HydrophobicContact CB-CD2 4.21Å; F191-F252 AromaticContact CD1-CD2 3.53Å; F191-F252 HydrophobicContact CD1-CD2 3.53Å; F191-F252 AromaticContact CD1-CE2 3.48Å; F191-F252 HydrophobicContact CD1-CE2 3.48Å; F191-F252 VanDerWaalsContact CD1-CE2 3.48Å; F191-F252 HydrophobicContact CD1-CG 4.27Å; F191-F252 HydrophobicContact CD1-CZ 4.15Å; F191-F252 HydrophobicContact CE1-CD2 4.16Å; F191-F252 AromaticContact CE1-CE2 3.6Å; F191-F252 HydrophobicContact CE1-CE2 3.6Å; F191-F252 HydrophobicContact CE1-CZ 4.02Å; F191-F252 AromaticContact CG-CD2 4Å; F191-F252 HydrophobicContact CG-CD2 4Å; F191-F252 HydrophobicContact CG-CE2 4.19Å; F191-F252 HydrophobicContact CZ-CE2 4.35Å; F191-F252 WeakPolarHBondContact O-CA 3.25Å; F191-N253 PolarHBondContact O-N 3.13Å |
| 192 | N | 85.6 | Confident | 79.2 | Confident | 48 Ų | 48 | 27.6 Ų | 27.6 | 26% | 0.257 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 124.5 | 173.7 | -58.2 | -53.8 | 0 | 0 | 0 | 109.8 | F129 N130 Q131 N253 | F129-N192 PolarHBondContact O-N 3.29Å; N130-N192 WeakPolarHBondContact CA-O 3.48Å; N130-N192 WeakPolarHBondContact OD1-CB 3.5Å; N130-N192 PolarHBondContact OD1-ND2 2.77Å; Q131-N192 PolarHBondContact N-O 2.83Å; N192-N253 WeakPolarHBondContact CA-O 3.27Å; N192-N253 WeakPolarHBondContact OD1-CB 3.42Å; N192-N253 PolarHBondContact OD1-ND2 3.16Å |
| 193 | Q | 84.8 | Confident | 78.2 | Confident | 6 Ų | 6 | 25.7 Ų | 25.7 | 3% | 0.028 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 126.7 | 169.9 | -177.5 | -174.4 | 61.8 | 0 | 0 | 110.1 | Q131 F191 V242 S243 A244 N253 Q254 G255 | Q131-Q193 CarbonylContact O-C 3.42Å; Q131-Q193 VanDerWaalsContact O-CA 3.29Å; Q131-Q193 WeakPolarHBondContact O-CA 3.33Å; F191-Q193 HydrophobicContact CE1-CB 3.61Å; F191-Q193 HydrophobicContact CZ-CB 4Å; Q193-V242 VanDerWaalsContact OE1-CG1 3.26Å; Q193-S243 PolarHBondContact NE2-O 2.97Å; Q193-S243 VanDerWaalsContact NE2-O 3.17Å; Q193-A244 HydrophobicContact CB-CB 4.47Å; Q193-A244 VanDerWaalsContact OE1-CB 3.26Å; Q193-N253 PolarHBondContact N-O 2.94Å; Q193-Q254 VanDerWaalsContact O-CA 3.31Å; Q193-Q254 WeakPolarHBondContact O-CA 3.42Å; Q193-G255 PolarHBondContact O-N 3.19Å |
| 194 | G | 80.9 | Confident | 77.3 | Confident | 28 Ų | 28 | 25.4 Ų | 25.4 | 29% | 0.289 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 135.1 | 172 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q131 F133 | Q131-G194 PolarHBondContact O-N 3.15Å; F133-G194 PolarHBondContact N-O 3.14Å |
| 195 | F | 82.3 | Confident | 76.8 | Confident | 1 Ų | 1 | 27 Ų | 27 | 0% | 0.004 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 122.6 | 168.3 | -179.1 | -85.6 | 0 | 0 | 0 | 109.6 | F133 V179 V181 V240 V242 G255 F256 T257 | F133-F195 HydrophobicContact CB-CD2 4.27Å; F133-F195 AromaticContact CD1-CD2 3.39Å; F133-F195 HydrophobicContact CD1-CD2 3.39Å; F133-F195 AromaticContact CD1-CE2 3.19Å; F133-F195 HydrophobicContact CD1-CE2 3.19Å; F133-F195 HydrophobicContact CD1-CG 4.43Å; F133-F195 HydrophobicContact CD1-CZ 4.12Å; F133-F195 HydrophobicContact CE1-CD2 4.11Å; F133-F195 AromaticContact CE1-CE2 3.42Å; F133-F195 HydrophobicContact CE1-CE2 3.42Å; F133-F195 VanDerWaalsContact CE1-CE2 3.42Å; F133-F195 HydrophobicContact CE1-CZ 4.06Å; F133-F195 HydrophobicContact CG-CD2 4.16Å; F133-F195 HydrophobicContact CG-CE2 4.25Å; F133-F195 WeakPolarHBondContact O-CA 3.45Å; V179-F195 HydrophobicContact CB-CE2 4.38Å; V179-F195 HydrophobicContact CB-CZ 4.45Å; V179-F195 HydrophobicContact CG1-CE2 3.55Å; V179-F195 HydrophobicContact CG1-CZ 4.06Å; V181-F195 HydrophobicContact CG2-CD2 3.81Å; V181-F195 HydrophobicContact CG2-CE2 3.99Å; F195-V240 HydrophobicContact CE1-CG1 3.9Å; F195-V240 HydrophobicContact CE2-CG1 4.1Å; F195-V240 HydrophobicContact CZ-CG1 3.66Å; F195-V242 HydrophobicContact CB-CG2 4.16Å; F195-V242 HydrophobicContact CD2-CG2 4.05Å; F195-V242 HydrophobicContact CG-CG2 3.97Å; F195-G255 PolarHBondContact N-O 2.79Å; F195-F256 HydrophobicContact CB-CD2 4.13Å; F195-F256 AromaticContact CD1-CD2 3.39Å; F195-F256 HydrophobicContact CD1-CD2 3.39Å; F195-F256 AromaticContact CD1-CE2 3.2Å; F195-F256 HydrophobicContact CD1-CE2 3.2Å; F195-F256 HydrophobicContact CD1-CG 4.31Å; F195-F256 AromaticContact CD1-CZ 3.99Å; F195-F256 HydrophobicContact CD1-CZ 3.99Å; F195-F256 HydrophobicContact CE1-CD2 4.12Å; F195-F256 AromaticContact CE1-CE2 3.43Å; F195-F256 HydrophobicContact CE1-CE2 3.43Å; F195-F256 VanDerWaalsContact CE1-CE2 3.43Å; F195-F256 AromaticContact CE1-CZ 3.94Å; F195-F256 HydrophobicContact CE1-CZ 3.94Å; F195-F256 AromaticContact CG-CD2 3.97Å; F195-F256 HydrophobicContact CG-CD2 3.97Å; F195-F256 HydrophobicContact CG-CE2 4.07Å; F195-F256 HydrophobicContact CZ-CE2 4.43Å; F195-F256 WeakPolarHBondContact O-CA 2.96Å; F195-T257 PolarHBondContact O-N 2.79Å |
| 196 | T | 82.6 | Confident | 76.1 | Confident | 56 Ų | 56 | 27.1 Ų | 27.1 | 34% | 0.344 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 124.6 | 175.2 | -54.4 | 0 | 0 | 0 | 0 | 109.8 | F133 T134 Y135 T257 | F133-T196 PolarHBondContact O-N 3.37Å; T134-T196 WeakPolarHBondContact CA-O 3.26Å; Y135-T196 PolarHBondContact N-O 2.86Å; T196-T257 WeakPolarHBondContact CA-O 3.41Å |
| 197 | Y | 78.3 | Confident | 76.1 | Confident | 7 Ų | 7 | 26.5 Ų | 26.5 | 3% | 0.027 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 118.8 | 162.3 | 179.3 | -82.1 | 0 | 0 | 0 | 107.5 | Y135 L177 V199 L238 T257 Y258 G259 | Y135-Y197 AromaticContact CD1-CD2 3.44Å; Y135-Y197 HydrophobicContact CD1-CD2 3.44Å; Y135-Y197 VanDerWaalsContact CD1-CD2 3.44Å; Y135-Y197 AromaticContact CD1-CE2 3.34Å; Y135-Y197 HydrophobicContact CD1-CE2 3.34Å; Y135-Y197 HydrophobicContact CD1-CG 4.38Å; Y135-Y197 HydrophobicContact CE1-CD2 4.1Å; Y135-Y197 AromaticContact CE1-CE2 3.48Å; Y135-Y197 HydrophobicContact CE1-CE2 3.48Å; Y135-Y197 VanDerWaalsContact CE1-CE2 3.48Å; Y135-Y197 HydrophobicContact CG-CD2 4.12Å; Y135-Y197 HydrophobicContact CG-CE2 4.29Å; Y135-Y197 WeakPolarHBondContact O-CA 3.5Å; L177-Y197 HydrophobicContact CD2-CD2 4.18Å; L177-Y197 HydrophobicContact CD2-CE2 3.58Å; Y197-V199 HydrophobicContact CE1-CG2 3.8Å; Y197-L238 HydrophobicContact CE2-CD2 4.46Å; Y197-T257 PolarHBondContact N-O 3.31Å; Y197-Y258 AromaticContact CD1-CD2 3.39Å; Y197-Y258 HydrophobicContact CD1-CD2 3.39Å; Y197-Y258 AromaticContact CD1-CE2 3.27Å; Y197-Y258 HydrophobicContact CD1-CE2 3.27Å; Y197-Y258 HydrophobicContact CD1-CG 4.28Å; Y197-Y258 HydrophobicContact CE1-CD2 4.05Å; Y197-Y258 AromaticContact CE1-CE2 3.42Å; Y197-Y258 HydrophobicContact CE1-CE2 3.42Å; Y197-Y258 VanDerWaalsContact CE1-CE2 3.42Å; Y197-Y258 AromaticContact CE1-CZ 4Å; Y197-Y258 AromaticContact CG-CD2 3.9Å; Y197-Y258 HydrophobicContact CG-CD2 3.9Å; Y197-Y258 HydrophobicContact CG-CE2 4.06Å; Y197-G259 PolarHBondContact O-N 2.85Å |
| 198 | G | 78 | Confident | 76.2 | Confident | 17 Ų | 17 | 22.6 Ų | 22.6 | 18% | 0.175 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 130.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y135 G136 V137 G259 | Y135-G198 PolarHBondContact O-N 3.41Å; G136-G198 WeakPolarHBondContact CA-O 3.33Å; V137-G198 PolarHBondContact N-O 2.91Å; G198-G259 WeakPolarHBondContact CA-O 3.41Å |
| 199 | V | 75.1 | Confident | 76.7 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 124.4 | 158.3 | 177.8 | 0 | 0 | 0 | 0 | 105.7 | V137 F170 Y197 F231 G259 V260 T261 | V137-V199 HydrophobicContact CB-CG2 4.5Å; V137-V199 WeakPolarHBondContact O-CA 3.21Å; F170-V199 HydrophobicContact CE1-CG1 3.87Å; F170-V199 HydrophobicContact CE2-CG1 3.98Å; F170-V199 HydrophobicContact CZ-CG1 3.43Å; F170-V199 VanDerWaalsContact CZ-CG1 3.43Å; Y197-V199 HydrophobicContact CE1-CG2 3.8Å; V199-F231 HydrophobicContact CG1-CE2 4.22Å; V199-G259 PolarHBondContact N-O 3.29Å; V199-V260 HydrophobicContact CB-CG2 4.43Å; V199-V260 WeakPolarHBondContact O-CA 3.29Å; V199-T261 PolarHBondContact O-N 3Å |
| 200 | T | 77 | Confident | 76.5 | Confident | 47 Ų | 47 | 22.7 Ų | 22.7 | 29% | 0.288 | 14% | 0.143 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 119.5 | 175.4 | -57.8 | 0 | 0 | 0 | 0 | 106.6 | V137 T138 D139 T261 | V137-T200 PolarHBondContact O-N 2.77Å; T138-T200 WeakPolarHBondContact CA-O 3.29Å; D139-T200 PolarHBondContact N-O 2.82Å; T200-T261 WeakPolarHBondContact CA-O 3.19Å |
| 201 | D | 72.2 | Confident | 76.5 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | trans | -104.2 | 141.1 | 164.9 | -163.3 | 2.4 | 0 | 0 | 0 | 107.8 | F170 F231 T261 T263 | F170-D201 HydrophobicContact CB-CB 4.49Å; F170-D201 WeakPolarHBondContact CB-OD2 3.35Å; D201-F231 HydrophobicContact CB-CD2 3.92Å; D201-F231 HydrophobicContact CB-CE2 4.28Å; D201-T261 PolarHBondContact N-O 3.32Å; D201-T263 PolarHBondContact O-N 2.9Å | ||
| 202 | T | 71.3 | Confident | 76 | Confident | 49 Ų | 49 | 23.9 Ų | 23.9 | 30% | 0.301 | 15% | 0.15 | S | C | . | . | trans | -144.9 | 99.4 | 179.1 | -55.9 | 0 | 0 | 0 | 0 | 106.4 | D139 A141 | D139-T202 PolarHBondContact O-N 3.01Å; A141-T202 WeakPolarHBondContact CB-O 3.43Å; A141-T202 PolarHBondContact N-O 2.82Å | ||
| 203 | A | 63 | Low | 75.7 | Confident | 7 Ų | 7 | 23.7 Ų | 23.7 | 6% | 0.058 | 15% | 0.15 | C | C | . | . | P | Polyproline II helix | trans | -71.5 | 163.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | D229 T263 P265 | A203-D229 HydrophobicContact CB-CB 4.15Å; A203-T263 PolarHBondContact N-O 3.05Å; A203-P265 HydrophobicContact CB-CB 3.84Å; A203-P265 HydrophobicContact CB-CG 3.61Å |
| 204 | P | 63.7 | Low | 75.1 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | P | Polyproline II helix | trans | -91.6 | 125.8 | -168.3 | 29.6 | -25.8 | 0 | 0 | 0 | 113 | A141 P142 V144 T166 V206 P265 | A141-P204 HydrophobicContact CB-CB 3.44Å; A141-P204 VanDerWaalsContact CB-CB 3.44Å; A141-P204 HydrophobicContact CB-CG 3.52Å; A141-P204 VanDerWaalsContact CB-N 3.28Å; P142-P204 VanDerWaalsContact C-CB 3.48Å; P142-P204 WeakPolarHBondContact O-CB 3.33Å; V144-P204 HydrophobicContact CG2-CB 4.46Å; T166-P204 HydrophobicContact CG2-CG 4.07Å; P204-V206 WeakPolarHBondContact O-CG2 3.17Å; P204-V206 PolarHBondContact O-N 3.08Å; P204-P265 WeakPolarHBondContact O-CB 3.28Å |
| 205 | D | 69.8 | Low | 74.6 | Confident | 77 Ų | 77 | 24.3 Ų | 24.3 | 41% | 0.412 | 15% | 0.151 | S | C | . | . | P | Polyproline II helix | trans | -54.5 | 128 | 176.7 | -78.2 | -10.9 | 0 | 0 | 0 | 110.4 | D143 V144 D266 | D143-D205 PolarHBondContact OD1-N 3.17Å; V144-D205 PolarHBondContact N-O 3.08Å; D205-D266 PolarHBondContact OD1-N 2.84Å; D205-D266 VanDerWaalsContact OD1-N 3.14Å |
| 206 | V | 69.3 | Low | 73.9 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 109.3 | -175.1 | -172.5 | 0 | 0 | 0 | 0 | 109.9 | T164 T166 P204 T208 T226 T228 D266 S268 | T164-V206 HydrophobicContact CG2-CG1 3.86Å; T166-V206 HydrophobicContact CG2-CG2 3.78Å; P204-V206 WeakPolarHBondContact O-CG2 3.17Å; P204-V206 PolarHBondContact O-N 3.08Å; V206-T208 HydrophobicContact CG1-CG2 4.05Å; V206-T226 HydrophobicContact CG1-CG2 3.87Å; V206-T228 HydrophobicContact CG2-CG2 4.05Å; V206-D266 PolarHBondContact N-O 3.41Å; V206-S268 PolarHBondContact O-N 3.45Å |
| 207 | S | 76.7 | Confident | 73.1 | Confident | 35 Ų | 35 | 24.6 Ų | 24.6 | 25% | 0.245 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 120.1 | 171.2 | 62 | 0 | 0 | 0 | 0 | 111.4 | V144 S145 T146 S268 | V144-S207 PolarHBondContact O-N 2.97Å; S145-S207 WeakPolarHBondContact CA-OG 3.4Å; S145-S207 WeakPolarHBondContact CB-OG 2.92Å; T146-S207 PolarHBondContact N-O 2.76Å; T146-S207 PolarHBondContact OG1-O 3.45Å; S207-S268 WeakPolarHBondContact CA-OG 3.41Å; S207-S268 WeakPolarHBondContact CB-OG 3.39Å |
| 208 | T | 71.7 | Confident | 72.8 | Confident | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 111 | 175.2 | 66.7 | 0 | 0 | 0 | 0 | 109.9 | T146 T164 V206 S268 T269 N270 | T146-T208 WeakPolarHBondContact OG1-CA 3.31Å; T146-T208 WeakPolarHBondContact OG1-CG2 3.39Å; T164-T208 HydrophobicContact CG2-CG2 4.32Å; V206-T208 HydrophobicContact CG1-CG2 4.05Å; T208-S268 PolarHBondContact N-O 2.91Å; T208-S268 PolarHBondContact OG1-O 2.98Å; T208-T269 WeakPolarHBondContact OG1-CA 3.47Å; T208-T269 WeakPolarHBondContact OG1-CB 3.19Å; T208-T269 VanDerWaalsContact OG1-CG2 3.31Å; T208-T269 WeakPolarHBondContact OG1-CG2 3.37Å; T208-N270 PolarHBondContact O-N 3.01Å |
| 209 | N | 79 | Confident | 72.8 | Confident | 54 Ų | 54 | 28.9 Ų | 28.9 | 29% | 0.289 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 116.2 | 176.8 | -58.9 | -56 | 0 | 0 | 0 | 109.7 | T146 N147 S148 N270 | T146-N209 PolarHBondContact O-N 2.02Å; N147-N209 WeakPolarHBondContact CA-O 3Å; N147-N209 WeakPolarHBondContact OD1-CB 3.36Å; N147-N209 PolarHBondContact OD1-ND2 3.23Å; S148-N209 PolarHBondContact N-O 3.47Å; N209-N270 WeakPolarHBondContact CA-O 3.27Å; N209-N270 WeakPolarHBondContact OD1-CB 3.19Å; N209-N270 PolarHBondContact OD1-ND2 3.26Å |
| 210 | S | 75.1 | Confident | 73 | Confident | 4 Ų | 4 | 28.9 Ų | 28.9 | 3% | 0.028 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 123 | -179 | -67.9 | 0 | 0 | 0 | 0 | 111.6 | S148 N270 S271 T272 | S148-S210 WeakPolarHBondContact O-CA 3.3Å; S210-N270 PolarHBondContact N-O 2.85Å; S210-S271 WeakPolarHBondContact O-CA 3.35Å; S210-T272 PolarHBondContact O-N 2.75Å |
| 211 | T | 81.6 | Confident | 73.1 | Confident | 61 Ų | 61 | 28.8 Ų | 28.8 | 37% | 0.374 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 111.8 | 168.6 | -58.8 | 0 | 0 | 0 | 0 | 109.2 | S148 T149 I150 T272 | S148-T211 PolarHBondContact O-N 3.44Å; T149-T211 CarbonylContact C-O 3.57Å; T149-T211 WeakPolarHBondContact CA-O 3.1Å; I150-T211 PolarHBondContact N-O 2.83Å; T211-T272 CarbonylContact C-O 3.59Å; T211-T272 WeakPolarHBondContact CA-O 3.45Å |
| 212 | I | 77.7 | Confident | 73.2 | Confident | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 120.7 | -176.9 | -56.4 | 166 | 0 | 0 | 0 | 109.3 | I150 F158 T160 F220 T272 I273 T274 | I150-I212 HydrophobicContact CB-CG1 4.45Å; I150-I212 CarbonylContact O-C 3.47Å; I150-I212 WeakPolarHBondContact O-CA 3.46Å; F158-I212 HydrophobicContact CE1-CG2 3.87Å; F158-I212 HydrophobicContact CZ-CG2 3.78Å; T160-I212 HydrophobicContact CG2-CD1 3.96Å; I212-F220 HydrophobicContact CG2-CE2 3.83Å; I212-F220 HydrophobicContact CG2-CZ 3.77Å; I212-T272 PolarHBondContact N-O 3.39Å; I212-I273 HydrophobicContact CB-CG1 4.43Å; I212-I273 HydrophobicContact CD1-CG1 4.33Å; I212-I273 CarbonylContact O-C 3.55Å; I212-I273 WeakPolarHBondContact O-CA 3.43Å; I212-T274 PolarHBondContact O-N 3.45Å |
| 213 | T | 78.6 | Confident | 73.4 | Confident | 45 Ų | 45 | 28.6 Ų | 28.6 | 28% | 0.276 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 121 | 175.3 | -56.9 | 0 | 0 | 0 | 0 | 110.4 | I150 T151 A152 T274 | I150-T213 PolarHBondContact O-N 2.95Å; T151-T213 CarbonylContact C-O 3.59Å; T151-T213 WeakPolarHBondContact CA-O 3.31Å; A152-T213 PolarHBondContact N-O 3.37Å; T213-T274 CarbonylContact C-O 3.51Å; T213-T274 WeakPolarHBondContact CA-O 3.47Å |
| 214 | A | 73 | Confident | 73.5 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 125.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | A152 T217 F220 T274 A275 S276 | A152-A214 WeakPolarHBondContact O-CA 3.34Å; A214-T217 HydrophobicContact CB-CG2 4.12Å; A214-F220 HydrophobicContact CB-CD2 3.77Å; A214-F220 HydrophobicContact CB-CE2 3.82Å; A214-T274 PolarHBondContact N-O 2.84Å; A214-A275 WeakPolarHBondContact O-CA 3.46Å; A214-S276 PolarHBondContact O-N 3.19Å |
| 215 | S | 71.1 | Confident | 73.7 | Confident | 47 Ų | 47 | 30.1 Ų | 30.1 | 33% | 0.329 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 125.2 | 178.5 | -50.2 | 0 | 0 | 0 | 0 | 110.8 | A152 A154 | A152-S215 PolarHBondContact O-N 2.98Å; A154-S215 PolarHBondContact N-O 3.3Å |
| 216 | A | 68 | Low | 73.4 | Confident | 61 Ų | 61 | 26.5 Ų | 26.5 | 50% | 0.504 | 17% | 0.168 | S | C | . | . | S | Bend | trans | 60.5 | 64 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | T155 S276 | T155-A216 PolarHBondContact N-O 2.57Å; A216-S276 PolarHBondContact N-O 2.99Å |
| 217 | T | 64.9 | Low | 72.9 | Confident | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | trans | -125.3 | 126.1 | -175.1 | 53.8 | 0 | 0 | 0 | 0 | 113.4 | T155 F158 A214 A277 T278 | T155-T217 WeakPolarHBondContact O-CA 3.47Å; T155-T217 VanDerWaalsContact O-CB 3.23Å; T155-T217 WeakPolarHBondContact O-CB 3.33Å; T155-T217 VanDerWaalsContact O-CG2 3.24Å; T155-T217 WeakPolarHBondContact O-CG2 3.44Å; T155-T217 WeakPolarHBondContact OG1-CG2 3.35Å; F158-T217 HydrophobicContact CB-CG2 4.49Å; A214-T217 HydrophobicContact CB-CG2 4.12Å; T217-A277 PolarHBondContact N-O 3.17Å; T217-T278 WeakPolarHBondContact O-CA 3.33Å; T217-T278 VanDerWaalsContact O-CB 3.27Å; T217-T278 WeakPolarHBondContact O-CB 3.48Å; T217-T278 VanDerWaalsContact O-CG2 3.25Å; T217-T278 WeakPolarHBondContact O-CG2 3.42Å; T217-T278 PolarHBondContact O-OG1 3.12Å; T217-T278 PolarHBondContact OG1-OG1 2.92Å | ||
| 218 | T | 71.9 | Confident | 72 | Confident | 60 Ų | 60 | 27.2 Ų | 27.2 | 37% | 0.368 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -67.8 | -47.9 | -177.7 | 39 | 0 | 0 | 0 | 0 | 113.4 | T156 T279 N280 | T156-T218 VanDerWaalsContact C-OG1 3.27Å; T156-T218 WeakPolarHBondContact CA-OG1 3.35Å; T156-T218 WeakPolarHBondContact O-CA 3.49Å; T156-T218 WeakPolarHBondContact O-CB 3.45Å; T156-T218 PolarHBondContact O-N 3.16Å; T156-T218 PolarHBondContact O-OG1 3.1Å; T218-T279 VanDerWaalsContact C-OG1 3.27Å; T218-T279 WeakPolarHBondContact O-CA 3.46Å; T218-T279 WeakPolarHBondContact O-CB 3.45Å; T218-T279 PolarHBondContact O-N 3.08Å; T218-T279 PolarHBondContact O-OG1 3.34Å; T218-N280 PolarHBondContact O-N 3.46Å |
| 219 | N | 78.9 | Confident | 71.4 | Confident | 54 Ų | 54 | 27.6 Ų | 27.6 | 29% | 0.289 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 128.1 | 177.5 | -59.4 | -50.9 | 0 | 0 | 0 | 110.4 | T156 N157 F158 N280 | T156-N219 PolarHBondContact O-N 2.7Å; N157-N219 WeakPolarHBondContact OD1-CB 3.45Å; N157-N219 PolarHBondContact OD1-ND2 2.74Å; F158-N219 PolarHBondContact N-O 2.85Å; N219-N280 WeakPolarHBondContact CA-O 3.5Å; N219-N280 WeakPolarHBondContact OD1-CB 3.47Å; N219-N280 PolarHBondContact OD1-ND2 3Å |
| 220 | F | 77.7 | Confident | 70.4 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 124.8 | 176.3 | -178.3 | -81.7 | 0 | 0 | 0 | 109.7 | F158 I212 A214 T222 I273 T278 N280 F281 T282 | F158-F220 HydrophobicContact CB-CD2 4.24Å; F158-F220 AromaticContact CD1-CD2 3.35Å; F158-F220 HydrophobicContact CD1-CD2 3.35Å; F158-F220 AromaticContact CD1-CE2 3.3Å; F158-F220 HydrophobicContact CD1-CE2 3.3Å; F158-F220 HydrophobicContact CD1-CG 4.19Å; F158-F220 HydrophobicContact CD1-CZ 4.11Å; F158-F220 AromaticContact CE1-CD2 3.93Å; F158-F220 HydrophobicContact CE1-CD2 3.93Å; F158-F220 AromaticContact CE1-CE2 3.35Å; F158-F220 HydrophobicContact CE1-CE2 3.35Å; F158-F220 AromaticContact CE1-CZ 3.91Å; F158-F220 HydrophobicContact CE1-CZ 3.91Å; F158-F220 AromaticContact CG-CD2 3.99Å; F158-F220 HydrophobicContact CG-CD2 3.99Å; F158-F220 HydrophobicContact CG-CE2 4.21Å; F158-F220 HydrophobicContact CZ-CE2 4.27Å; F158-F220 CarbonylContact O-C 3.54Å; F158-F220 WeakPolarHBondContact O-CA 3.23Å; I212-F220 HydrophobicContact CG2-CE2 3.83Å; I212-F220 HydrophobicContact CG2-CZ 3.77Å; A214-F220 HydrophobicContact CB-CD2 3.77Å; A214-F220 HydrophobicContact CB-CE2 3.82Å; F220-T222 HydrophobicContact CE1-CG2 3.89Å; F220-I273 HydrophobicContact CE1-CG2 3.9Å; F220-I273 HydrophobicContact CZ-CG2 3.63Å; F220-T278 HydrophobicContact CB-CG2 3.83Å; F220-N280 PolarHBondContact N-O 2.9Å; F220-F281 HydrophobicContact CB-CD2 4Å; F220-F281 AromaticContact CD1-CD2 3.33Å; F220-F281 HydrophobicContact CD1-CD2 3.33Å; F220-F281 AromaticContact CD1-CE2 3.27Å; F220-F281 HydrophobicContact CD1-CE2 3.27Å; F220-F281 HydrophobicContact CD1-CG 4.2Å; F220-F281 HydrophobicContact CD1-CZ 4.12Å; F220-F281 AromaticContact CE1-CD2 3.98Å; F220-F281 HydrophobicContact CE1-CD2 3.98Å; F220-F281 AromaticContact CE1-CE2 3.39Å; F220-F281 HydrophobicContact CE1-CE2 3.39Å; F220-F281 AromaticContact CE1-CZ 3.98Å; F220-F281 HydrophobicContact CE1-CZ 3.98Å; F220-F281 AromaticContact CG-CD2 3.8Å; F220-F281 HydrophobicContact CG-CD2 3.8Å; F220-F281 AromaticContact CG-CE2 4Å; F220-F281 HydrophobicContact CG-CE2 4Å; F220-F281 HydrophobicContact CZ-CE2 4.19Å; F220-F281 CarbonylContact O-C 3.59Å; F220-F281 WeakPolarHBondContact O-CA 3.36Å; F220-T282 PolarHBondContact O-N 3.3Å |
| 221 | T | 79.5 | Confident | 70 | Confident | 46 Ų | 46 | 26.1 Ų | 26.1 | 28% | 0.282 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 127.4 | 176 | -53.2 | 0 | 0 | 0 | 0 | 110.1 | F158 T159 T160 T282 | F158-T221 PolarHBondContact O-N 3.43Å; T159-T221 CarbonylContact C-O 3.54Å; T159-T221 VanDerWaalsContact CA-O 3.29Å; T159-T221 WeakPolarHBondContact CA-O 3.47Å; T160-T221 PolarHBondContact N-O 3.48Å; T221-T282 CarbonylContact C-O 3.55Å; T221-T282 VanDerWaalsContact CA-O 3.29Å; T221-T282 WeakPolarHBondContact CA-O 3.46Å |
| 222 | T | 75.3 | Confident | 69 | Low | 4 Ų | 4 | 25.5 Ų | 25.5 | 3% | 0.025 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 134.3 | 173.3 | -170.6 | 0 | 0 | 0 | 0 | 110.3 | T160 F220 I273 T282 T283 T284 | T160-T222 WeakPolarHBondContact CG2-OG1 3.13Å; T160-T222 WeakPolarHBondContact O-CA 3.49Å; F220-T222 HydrophobicContact CE1-CG2 3.89Å; T222-I273 HydrophobicContact CG2-CD1 3.93Å; T222-T282 PolarHBondContact N-O 2.86Å; T222-T283 HydrophobicContact CG2-CG2 3.48Å; T222-T283 VanDerWaalsContact CG2-CG2 3.48Å; T222-T283 CarbonylContact O-C 3.6Å; T222-T283 WeakPolarHBondContact O-CA 3.4Å; T222-T284 PolarHBondContact O-N 3.07Å |
| 223 | T | 74.8 | Confident | 68.4 | Low | 40 Ų | 40 | 25.8 Ų | 25.8 | 25% | 0.245 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 123.7 | 173 | -55.9 | 0 | 0 | 0 | 0 | 108.6 | T160 T161 T162 T284 | T160-T223 PolarHBondContact O-N 2.88Å; T161-T223 CarbonylContact C-O 3.41Å; T161-T223 WeakPolarHBondContact CA-O 3.43Å; T162-T223 PolarHBondContact N-O 3.42Å; T223-T284 CarbonylContact C-O 3.6Å; T223-T284 WeakPolarHBondContact CA-O 3.42Å |
| 224 | T | 65.8 | Low | 67.2 | Low | 6 Ų | 6 | 25 Ų | 25 | 4% | 0.037 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 123.1 | 172 | -54.4 | 0 | 0 | 0 | 0 | 108.1 | T162 T284 T285 T286 | T162-T224 CarbonylContact O-C 3.19Å; T162-T224 WeakPolarHBondContact O-CA 3.14Å; T224-T284 PolarHBondContact N-O 3.08Å; T224-T285 CarbonylContact O-C 3.59Å; T224-T285 VanDerWaalsContact O-CA 3.24Å; T224-T285 WeakPolarHBondContact O-CA 3.29Å; T224-T286 PolarHBondContact O-N 3.19Å |
| 225 | T | 68.1 | Low | 66.2 | Low | 34 Ų | 34 | 29.7 Ų | 29.7 | 21% | 0.209 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 122.4 | 176 | -54.2 | 0 | 0 | 0 | 0 | 108.4 | T162 T163 T164 T227 T286 | T162-T225 PolarHBondContact O-N 3.01Å; T163-T225 CarbonylContact C-O 3.59Å; T163-T225 WeakPolarHBondContact CA-O 3.49Å; T164-T225 PolarHBondContact N-O 2.84Å; T225-T227 HydrophobicContact CG2-CG2 4.09Å; T225-T286 WeakPolarHBondContact CA-O 3.45Å |
| 226 | T | 61.7 | Low | 65.5 | Low | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 127.4 | 170.9 | -48.8 | 0 | 0 | 0 | 0 | 107.2 | T164 V206 V267 T286 T287 T288 | T164-T226 WeakPolarHBondContact O-CA 3.46Å; V206-T226 HydrophobicContact CG1-CG2 3.87Å; T226-V267 HydrophobicContact CG2-CG1 4.03Å; T226-T286 PolarHBondContact N-O 3.36Å; T226-T287 VanDerWaalsContact O-CA 3.25Å; T226-T287 WeakPolarHBondContact O-CA 3.4Å; T226-T288 PolarHBondContact O-N 3.27Å |
| 227 | T | 60.4 | Low | 65.3 | Low | 35 Ų | 35 | 27.6 Ų | 27.6 | 22% | 0.215 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 121.8 | 172.1 | 62.5 | 0 | 0 | 0 | 0 | 107.7 | T164 T165 T166 T225 T288 | T164-T227 PolarHBondContact O-N 3.1Å; T165-T227 WeakPolarHBondContact CA-OG1 3.48Å; T165-T227 WeakPolarHBondContact CG2-OG1 3.48Å; T166-T227 PolarHBondContact N-O 3.34Å; T166-T227 PolarHBondContact OG1-O 3.31Å; T225-T227 HydrophobicContact CG2-CG2 4.09Å; T227-T288 WeakPolarHBondContact CG2-OG1 3.46Å |
| 228 | T | 58 | Low | 65.4 | Low | 16 Ų | 16 | 27.9 Ų | 27.9 | 10% | 0.098 | 17% | 0.167 | C | C | . | . | trans | -99.3 | 179.9 | 174.3 | 44.3 | 0 | 0 | 0 | 0 | 110.7 | V206 P265 V267 T288 D289 | V206-T228 HydrophobicContact CG2-CG2 4.05Å; T228-P265 HydrophobicContact CG2-CG 3.66Å; T228-V267 HydrophobicContact CG2-CG2 3.55Å; T228-T288 PolarHBondContact N-O 3.3Å; T228-T288 PolarHBondContact OG1-O 3.04Å; T228-T288 VanDerWaalsContact OG1-O 3.04Å; T228-D289 WeakPolarHBondContact OG1-CB 3.41Å | ||
| 229 | D | 58.8 | Low | 65.7 | Low | 9 Ų | 9 | 27.5 Ų | 27.5 | 5% | 0.048 | 16% | 0.162 | C | C | . | . | trans | -61.6 | 174.3 | -153.9 | -171.3 | 24.5 | 0 | 0 | 0 | 115.3 | G169 A203 D289 G290 | G169-D229 WeakPolarHBondContact CA-OD1 2.98Å; G169-D229 PolarHBondContact N-OD1 3.17Å; G169-D229 VanDerWaalsContact N-OD1 3.15Å; A203-D229 HydrophobicContact CB-CB 4.15Å; D229-D289 PolarHBondContact N-OD1 2.84Å; D229-D289 CarbonylContact O-C 3.52Å; D229-G290 PolarHBondContact O-N 3.44Å | ||
| 230 | G | 58.5 | Low | 65.5 | Low | 25 Ų | 25 | 25.2 Ų | 25.2 | 26% | 0.258 | 15% | 0.15 | S | C | . | . | trans | -145.5 | 111.5 | 151.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | N232 G290 | G230-N232 PolarHBondContact O-N 2.82Å; G230-G290 CarbonylContact C-O 3.41Å; G230-G290 WeakPolarHBondContact CA-O 3.08Å | ||
| 231 | F | 64.8 | Low | 65.7 | Low | 1 Ų | 1 | 27.6 Ų | 27.6 | 0% | 0.004 | 17% | 0.17 | C | C | . | . | trans | -63.7 | 115.4 | 172.1 | 179 | -88.4 | 0 | 0 | 0 | 110.6 | F170 V199 D201 Q233 V260 D262 G290 F291 N292 | F170-F231 HydrophobicContact CB-CD2 4.09Å; F170-F231 AromaticContact CD1-CD2 3.66Å; F170-F231 HydrophobicContact CD1-CD2 3.66Å; F170-F231 AromaticContact CD1-CE2 3.39Å; F170-F231 HydrophobicContact CD1-CE2 3.39Å; F170-F231 HydrophobicContact CD1-CZ 4.08Å; F170-F231 HydrophobicContact CE1-CD2 4.45Å; F170-F231 AromaticContact CE1-CE2 3.73Å; F170-F231 HydrophobicContact CE1-CE2 3.73Å; F170-F231 HydrophobicContact CE1-CZ 4.13Å; F170-F231 HydrophobicContact CG-CD2 4.08Å; F170-F231 HydrophobicContact CG-CE2 4.09Å; V199-F231 HydrophobicContact CG1-CE2 4.22Å; D201-F231 HydrophobicContact CB-CD2 3.92Å; D201-F231 HydrophobicContact CB-CE2 4.28Å; F231-Q233 HydrophobicContact CE1-CB 3.88Å; F231-Q233 HydrophobicContact CZ-CB 4.15Å; F231-V260 HydrophobicContact CE1-CG1 4.27Å; F231-V260 HydrophobicContact CE2-CG1 4.3Å; F231-V260 HydrophobicContact CZ-CG1 3.64Å; F231-D262 HydrophobicContact CB-CB 4.5Å; F231-D262 WeakPolarHBondContact CB-OD2 3.23Å; F231-D262 HydrophobicContact CD2-CB 4.33Å; F231-D262 HydrophobicContact CG-CB 4.39Å; F231-G290 PolarHBondContact N-O 2.95Å; F231-F291 HydrophobicContact CB-CD2 3.91Å; F231-F291 HydrophobicContact CB-CE2 4.31Å; F231-F291 AromaticContact CD1-CD2 3.72Å; F231-F291 HydrophobicContact CD1-CD2 3.72Å; F231-F291 AromaticContact CD1-CE2 3.31Å; F231-F291 HydrophobicContact CD1-CE2 3.31Å; F231-F291 AromaticContact CD1-CZ 3.89Å; F231-F291 HydrophobicContact CD1-CZ 3.89Å; F231-F291 AromaticContact CE1-CE2 3.75Å; F231-F291 HydrophobicContact CE1-CE2 3.75Å; F231-F291 HydrophobicContact CE1-CZ 4.02Å; F231-F291 HydrophobicContact CG-CD2 4.04Å; F231-F291 AromaticContact CG-CE2 3.91Å; F231-F291 HydrophobicContact CG-CE2 3.91Å; F231-N292 CarbonylContact O-C 3.56Å; F231-N292 PolarHBondContact O-N 3Å; F231-N292 VanDerWaalsContact O-O 3.1Å | ||
| 232 | N | 62.6 | Low | 66 | Low | 49 Ų | 49 | 25.5 Ų | 25.5 | 26% | 0.262 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 96.5 | -179 | -159.3 | -40.9 | 0 | 0 | 0 | 113 | F170 N171 Q172 G230 N292 | F170-N232 CarbonylContact O-C 3.54Å; F170-N232 WeakPolarHBondContact O-CA 3.41Å; F170-N232 PolarHBondContact O-N 2.85Å; N171-N232 WeakPolarHBondContact CA-O 3.09Å; Q172-N232 PolarHBondContact N-O 2.82Å; Q172-N232 VanDerWaalsContact N-O 3.13Å; G230-N232 PolarHBondContact O-N 2.82Å; N232-N292 WeakPolarHBondContact CA-O 3.37Å |
| 233 | Q | 63.9 | Low | 66.5 | Low | 7 Ų | 7 | 27.6 Ų | 27.6 | 3% | 0.033 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 106.8 | 170.2 | -173.3 | 179.4 | 63.2 | 0 | 0 | 110.9 | Q172 F231 N292 Q293 S294 | Q172-Q233 HydrophobicContact CB-CG 4.44Å; F231-Q233 HydrophobicContact CE1-CB 3.88Å; F231-Q233 HydrophobicContact CZ-CB 4.15Å; Q233-N292 PolarHBondContact N-O 3.09Å; Q233-Q293 HydrophobicContact CB-CG 4.39Å; Q233-S294 PolarHBondContact O-N 3.1Å |
| 234 | S | 53 | Low | 67 | Low | 30 Ų | 30 | 26 Ų | 26 | 21% | 0.21 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 115 | -178.2 | 68 | 0 | 0 | 0 | 0 | 115.4 | Q172 S173 K174 S294 | Q172-S234 PolarHBondContact O-N 2.88Å; S173-S234 VanDerWaalsContact CA-O 3.29Å; S173-S234 WeakPolarHBondContact CA-O 3.49Å; K174-S234 PolarHBondContact N-O 2.77Å; K174-S234 VanDerWaalsContact N-O 3.15Å; S234-S294 VanDerWaalsContact CA-O 3.29Å; S234-S294 WeakPolarHBondContact CA-O 3.24Å |
| 235 | K | 53.4 | Low | 67.8 | Low | 98 Ų | 98 | 27.7 Ų | 27.7 | 43% | 0.426 | 18% | 0.175 | S | C | . | . | trans | 72.6 | 104.3 | 177.3 | -62.2 | 174.8 | 178.6 | 167.3 | 0 | 117.7 | K174 S175 S294 K295 | K174-K235 WeakPolarHBondContact CA-O 3.46Å; K174-K235 HydrophobicContact CD-CD 4.37Å; K174-K235 HydrophobicContact CG-CB 3.79Å; K174-K235 HydrophobicContact CG-CD 3.98Å; K174-K235 PolarHBondContact N-O 2.92Å; S175-K235 PolarHBondContact N-O 2.92Å; K235-S294 PolarHBondContact N-O 3.44Å; K235-K295 WeakPolarHBondContact CA-O 3.35Å; K235-K295 HydrophobicContact CG-CB 4.23Å; K235-K295 HydrophobicContact CG-CD 4.36Å; K235-K295 PolarHBondContact N-O 3.36Å | ||
| 236 | S | 55.2 | Low | 68.6 | Low | 25 Ų | 25 | 26 Ų | 26 | 18% | 0.175 | 17% | 0.165 | C | C | . | . | trans | -158.6 | 139.9 | 155.7 | 55.1 | 0 | 0 | 0 | 0 | 110.9 | S175 K295 S296 | S175-S236 WeakPolarHBondContact O-CA 3.48Å; S175-S236 WeakPolarHBondContact O-CB 3.39Å; S236-K295 PolarHBondContact N-O 3.05Å; S236-S296 WeakPolarHBondContact O-CA 3.49Å; S236-S296 WeakPolarHBondContact O-CB 3.4Å | ||
| 237 | S | 63.6 | Low | 69.4 | Low | 39 Ų | 39 | 28.1 Ų | 28.1 | 27% | 0.273 | 18% | 0.178 | S | C | . | . | trans | -89.9 | 116.2 | 163.9 | 63.5 | 0 | 0 | 0 | 0 | 107.4 | S176 L177 | S176-S237 VanDerWaalsContact CB-OG 3.26Å; S176-S237 WeakPolarHBondContact CB-OG 3.43Å; L177-S237 PolarHBondContact N-O 2.86Å | ||
| 238 | L | 68.4 | Low | 69.9 | Low | 7 Ų | 7 | 30.2 Ų | 30.2 | 4% | 0.037 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 109 | 177 | 175.4 | 55.8 | 0 | 0 | 0 | 108.4 | L177 Y197 V240 Y258 S297 L298 N299 | L177-L238 HydrophobicContact CB-CD1 3.9Å; L177-L238 HydrophobicContact CD2-CD1 3.67Å; L177-L238 HydrophobicContact CG-CD1 3.62Å; L177-L238 WeakPolarHBondContact O-CA 3.16Å; Y197-L238 HydrophobicContact CE2-CD2 4.46Å; L238-V240 HydrophobicContact CD1-CG2 3.38Å; L238-V240 HydrophobicContact CD2-CG2 4.25Å; L238-V240 HydrophobicContact CG-CG2 3.68Å; L238-Y258 HydrophobicContact CD2-CD2 3.98Å; L238-Y258 HydrophobicContact CD2-CE2 3.46Å; L238-Y258 VanDerWaalsContact CD2-CE2 3.46Å; L238-S297 PolarHBondContact N-O 3.19Å; L238-S297 VanDerWaalsContact N-O 3.08Å; L238-L298 HydrophobicContact CB-CD1 3.82Å; L238-L298 HydrophobicContact CD2-CD1 3.61Å; L238-L298 HydrophobicContact CG-CD1 3.56Å; L238-L298 WeakPolarHBondContact O-CA 3.4Å; L238-N299 PolarHBondContact O-N 3.38Å |
| 239 | N | 76.5 | Confident | 70.5 | Confident | 52 Ų | 52 | 29.7 Ų | 29.7 | 28% | 0.278 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 113.3 | 173.4 | -58.2 | -60.4 | 0 | 0 | 0 | 108.2 | L177 N178 V179 N299 | L177-N239 PolarHBondContact O-N 3.22Å; N178-N239 WeakPolarHBondContact CA-O 3.47Å; N178-N239 WeakPolarHBondContact OD1-CB 3.48Å; N178-N239 PolarHBondContact OD1-ND2 2.76Å; V179-N239 PolarHBondContact N-O 3.33Å; N239-N299 WeakPolarHBondContact CA-O 3.42Å; N239-N299 PolarHBondContact OD1-ND2 3.35Å |
| 240 | V | 76.3 | Confident | 71.5 | Confident | 5 Ų | 5 | 31.6 Ų | 31.6 | 3% | 0.03 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 122.6 | -179.8 | -169.2 | 0 | 0 | 0 | 0 | 109.8 | V179 F195 L238 V242 F256 N299 V300 A301 | V179-V240 HydrophobicContact CB-CG1 4.32Å; V179-V240 WeakPolarHBondContact O-CA 3.31Å; F195-V240 HydrophobicContact CE1-CG1 3.9Å; F195-V240 HydrophobicContact CE2-CG1 4.1Å; F195-V240 HydrophobicContact CZ-CG1 3.66Å; L238-V240 HydrophobicContact CD1-CG2 3.38Å; L238-V240 HydrophobicContact CD2-CG2 4.25Å; L238-V240 HydrophobicContact CG-CG2 3.68Å; V240-V242 HydrophobicContact CG1-CG2 3.88Å; V240-F256 HydrophobicContact CB-CE2 4.27Å; V240-F256 HydrophobicContact CB-CZ 4.49Å; V240-F256 HydrophobicContact CG1-CE2 3.64Å; V240-F256 HydrophobicContact CG1-CZ 4.29Å; V240-N299 PolarHBondContact N-O 3.23Å; V240-V300 HydrophobicContact CB-CG1 4.39Å; V240-V300 WeakPolarHBondContact O-CA 3.34Å; V240-A301 PolarHBondContact O-N 2.9Å |
| 241 | A | 82.3 | Confident | 72.7 | Confident | 50 Ų | 50 | 32.3 Ų | 32.3 | 41% | 0.413 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 113.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | V179 A180 V181 A301 | V179-A241 PolarHBondContact O-N 2.92Å; A180-A241 WeakPolarHBondContact CA-O 3.38Å; V181-A241 PolarHBondContact N-O 2.88Å; A241-A301 WeakPolarHBondContact CA-O 3.43Å |
| 242 | V | 83.9 | Confident | 73.9 | Confident | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.012 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 125.6 | 177.2 | -173.4 | 0 | 0 | 0 | 0 | 109.2 | Q193 F195 V240 F256 A301 S303 | Q193-V242 VanDerWaalsContact OE1-CG1 3.26Å; F195-V242 HydrophobicContact CB-CG2 4.16Å; F195-V242 HydrophobicContact CD2-CG2 4.05Å; F195-V242 HydrophobicContact CG-CG2 3.97Å; V240-V242 HydrophobicContact CG1-CG2 3.88Å; V242-F256 HydrophobicContact CG2-CD2 3.88Å; V242-F256 HydrophobicContact CG2-CE2 4.11Å; V242-A301 PolarHBondContact N-O 3.28Å; V242-S303 PolarHBondContact O-N 2.9Å; V242-S303 PolarHBondContact O-OG 3.04Å |
| 243 | S | 86.6 | Confident | 75.1 | Confident | 48 Ų | 48 | 32.3 Ų | 32.3 | 34% | 0.336 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 135.1 | 179 | 59.9 | 0 | 0 | 0 | 0 | 111.3 | V181 S182 A183 Q193 S303 | V181-S243 PolarHBondContact O-N 2.83Å; V181-S243 PolarHBondContact O-OG 3Å; S182-S243 WeakPolarHBondContact CA-O 3.47Å; A183-S243 PolarHBondContact N-O 2.93Å; A183-S243 VanDerWaalsContact N-O 3.1Å; Q193-S243 PolarHBondContact NE2-O 2.97Å; Q193-S243 VanDerWaalsContact NE2-O 3.17Å; S243-S303 WeakPolarHBondContact CA-O 3.42Å |
| 244 | A | 85 | Confident | 76.2 | Confident | 7 Ų | 7 | 32.2 Ų | 32.2 | 6% | 0.058 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 139.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A183 F191 Q193 F252 S303 A304 S305 | A183-A244 WeakPolarHBondContact O-CA 3.5Å; F191-A244 HydrophobicContact CE1-CB 3.38Å; F191-A244 HydrophobicContact CZ-CB 3.39Å; Q193-A244 HydrophobicContact CB-CB 4.47Å; Q193-A244 VanDerWaalsContact OE1-CB 3.26Å; A244-F252 HydrophobicContact CB-CE2 3.82Å; A244-F252 HydrophobicContact CB-CZ 3.51Å; A244-S303 PolarHBondContact N-O 3.11Å; A244-S303 VanDerWaalsContact N-O 3.13Å; A244-A304 WeakPolarHBondContact O-CA 3.28Å; A244-S305 PolarHBondContact O-N 3.13Å; A244-S305 VanDerWaalsContact O-N 3.11Å |
| 245 | S | 83.6 | Confident | 77.7 | Confident | 41 Ų | 41 | 32.2 Ų | 32.2 | 29% | 0.287 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 126.9 | 177.9 | -176.4 | 0 | 0 | 0 | 0 | 111.6 | A183 S184 N185 P247 S305 | A183-S245 PolarHBondContact O-N 3.36Å; A183-S245 VanDerWaalsContact O-N 3.11Å; S184-S245 WeakPolarHBondContact CA-O 3.38Å; N185-S245 PolarHBondContact N-O 3.31Å; S245-P247 WeakPolarHBondContact OG-CD 3.1Å; S245-S305 WeakPolarHBondContact CA-O 3.42Å |
| 246 | N | 83.9 | Confident | 79.2 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -127.3 | 82.3 | 167 | -170.2 | 4 | 0 | 0 | 0 | 109.4 | N185 G188 F191 V248 G249 F252 S305 N306 | N185-N246 PolarHBondContact O-OD1 3.31Å; G188-N246 PolarHBondContact O-ND2 2.88Å; G188-N246 VanDerWaalsContact O-ND2 3.16Å; G188-N246 PolarHBondContact O-OD1 2.78Å; F191-N246 HydrophobicContact CB-CB 3.88Å; F191-N246 WeakPolarHBondContact CB-ND2 3.39Å; F191-N246 HydrophobicContact CD2-CB 4.24Å; F191-N246 HydrophobicContact CG-CB 4.1Å; N246-V248 PolarHBondContact O-N 3.29Å; N246-G249 WeakPolarHBondContact ND2-CA 3.11Å; N246-F252 HydrophobicContact CB-CD2 3.74Å; N246-F252 HydrophobicContact CB-CE2 4.35Å; N246-S305 PolarHBondContact N-O 3.34Å; N246-N306 WeakPolarHBondContact O-CA 3.47Å; N246-N306 PolarHBondContact O-OD1 3.41Å | ||
| 247 | P | 78.2 | Confident | 80.7 | Confident | 44 Ų | 44 | 29.2 Ų | 29.2 | 29% | 0.286 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -50.8 | -36.9 | -179 | -29.1 | 35.9 | 0 | 0 | 0 | 115.2 | S245 V308 | S245-P247 WeakPolarHBondContact OG-CD 3.1Å; P247-V308 WeakPolarHBondContact O-CB 3.41Å; P247-V308 PolarHBondContact O-N 2.83Å |
| 248 | V | 71.7 | Confident | 81.6 | Confident | 79 Ų | 79 | 27.8 Ų | 27.8 | 48% | 0.479 | 18% | 0.184 | S | C | . | . | B | Isolated β-bridge | trans | -139.8 | 85.4 | -173.8 | -169.3 | 0 | 0 | 0 | 0 | 109.6 | G188 N246 | G188-V248 PolarHBondContact N-O 3.47Å; G188-V248 VanDerWaalsContact N-O 3.14Å; N246-V248 PolarHBondContact O-N 3.29Å |
| 249 | G | 70.2 | Confident | 82.2 | Confident | 6 Ų | 6 | 28.3 Ų | 28.3 | 6% | 0.062 | 19% | 0.191 | C | C | . | . | trans | -161.1 | 135.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | G188 N246 T251 N306 V308 G309 | G188-G249 WeakPolarHBondContact O-CA 3.2Å; N246-G249 WeakPolarHBondContact ND2-CA 3.11Å; G249-T251 VanDerWaalsContact C-N 3.33Å; G249-T251 PolarHBondContact O-N 3.14Å; G249-N306 PolarHBondContact O-ND2 3.44Å; G249-N306 VanDerWaalsContact O-ND2 3.14Å; G249-N306 PolarHBondContact O-OD1 3.5Å; G249-V308 PolarHBondContact N-O 3.45Å; G249-V308 VanDerWaalsContact N-O 3.13Å; G249-G309 WeakPolarHBondContact O-CA 3.42Å | ||
| 250 | S | 80.6 | Confident | 82.3 | Confident | 49 Ų | 49 | 25.9 Ų | 25.9 | 34% | 0.343 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -60.4 | -35.3 | -176.8 | 37.2 | 0 | 0 | 0 | 0 | 114.3 | S189 S310 T311 | S189-S250 WeakPolarHBondContact CA-OG 3.29Å; S189-S250 WeakPolarHBondContact CB-OG 3.48Å; S189-S250 PolarHBondContact O-N 3.19Å; S189-S250 PolarHBondContact O-OG 3.45Å; S250-S310 WeakPolarHBondContact CA-OG 3.41Å; S250-S310 PolarHBondContact O-N 2.86Å; S250-S310 VanDerWaalsContact O-N 3.14Å; S250-S310 PolarHBondContact O-OG 3.25Å; S250-T311 PolarHBondContact O-N 3.26Å |
| 251 | T | 84.2 | Confident | 82.5 | Confident | 39 Ų | 39 | 27.8 Ų | 27.8 | 24% | 0.239 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 129.6 | -174.3 | -50 | 0 | 0 | 0 | 0 | 111.3 | S189 F191 G249 | S189-T251 PolarHBondContact O-N 3.48Å; F191-T251 PolarHBondContact N-O 2.68Å; G249-T251 VanDerWaalsContact C-N 3.33Å; G249-T251 PolarHBondContact O-N 3.14Å |
| 252 | F | 88.6 | Confident | 82.1 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 124.8 | 176.7 | -179.6 | -78.7 | 0 | 0 | 0 | 110.5 | F191 A244 N246 Q254 A304 N306 T311 F312 N313 | F191-F252 HydrophobicContact CB-CD2 4.21Å; F191-F252 AromaticContact CD1-CD2 3.53Å; F191-F252 HydrophobicContact CD1-CD2 3.53Å; F191-F252 AromaticContact CD1-CE2 3.48Å; F191-F252 HydrophobicContact CD1-CE2 3.48Å; F191-F252 VanDerWaalsContact CD1-CE2 3.48Å; F191-F252 HydrophobicContact CD1-CG 4.27Å; F191-F252 HydrophobicContact CD1-CZ 4.15Å; F191-F252 HydrophobicContact CE1-CD2 4.16Å; F191-F252 AromaticContact CE1-CE2 3.6Å; F191-F252 HydrophobicContact CE1-CE2 3.6Å; F191-F252 HydrophobicContact CE1-CZ 4.02Å; F191-F252 AromaticContact CG-CD2 4Å; F191-F252 HydrophobicContact CG-CD2 4Å; F191-F252 HydrophobicContact CG-CE2 4.19Å; F191-F252 HydrophobicContact CZ-CE2 4.35Å; F191-F252 WeakPolarHBondContact O-CA 3.25Å; A244-F252 HydrophobicContact CB-CE2 3.82Å; A244-F252 HydrophobicContact CB-CZ 3.51Å; N246-F252 HydrophobicContact CB-CD2 3.74Å; N246-F252 HydrophobicContact CB-CE2 4.35Å; F252-Q254 HydrophobicContact CE1-CB 3.65Å; F252-Q254 HydrophobicContact CZ-CB 4.09Å; F252-A304 HydrophobicContact CE1-CB 3.37Å; F252-A304 HydrophobicContact CZ-CB 3.38Å; F252-N306 HydrophobicContact CB-CB 3.9Å; F252-N306 WeakPolarHBondContact CB-ND2 3.25Å; F252-N306 HydrophobicContact CD2-CB 4.19Å; F252-N306 HydrophobicContact CG-CB 4.1Å; F252-T311 PolarHBondContact N-O 3.03Å; F252-F312 HydrophobicContact CB-CD2 4.19Å; F252-F312 AromaticContact CD1-CD2 3.53Å; F252-F312 HydrophobicContact CD1-CD2 3.53Å; F252-F312 AromaticContact CD1-CE2 3.48Å; F252-F312 HydrophobicContact CD1-CE2 3.48Å; F252-F312 VanDerWaalsContact CD1-CE2 3.48Å; F252-F312 HydrophobicContact CD1-CG 4.28Å; F252-F312 HydrophobicContact CD1-CZ 4.16Å; F252-F312 HydrophobicContact CE1-CD2 4.15Å; F252-F312 AromaticContact CE1-CE2 3.6Å; F252-F312 HydrophobicContact CE1-CE2 3.6Å; F252-F312 HydrophobicContact CE1-CZ 4.02Å; F252-F312 AromaticContact CG-CD2 3.97Å; F252-F312 HydrophobicContact CG-CD2 3.97Å; F252-F312 HydrophobicContact CG-CE2 4.17Å; F252-F312 HydrophobicContact CZ-CE2 4.31Å; F252-N313 PolarHBondContact O-N 3.14Å |
| 253 | N | 87.7 | Confident | 81.5 | Confident | 50 Ų | 50 | 28 Ų | 28 | 27% | 0.267 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 125.7 | 173.7 | -56.5 | -56.5 | 0 | 0 | 0 | 110.1 | F191 N192 Q193 N313 | F191-N253 PolarHBondContact O-N 3.13Å; N192-N253 WeakPolarHBondContact CA-O 3.27Å; N192-N253 WeakPolarHBondContact OD1-CB 3.42Å; N192-N253 PolarHBondContact OD1-ND2 3.16Å; Q193-N253 PolarHBondContact N-O 2.94Å; N253-N313 WeakPolarHBondContact CA-O 3.33Å; N253-N313 WeakPolarHBondContact OD1-CB 3.49Å; N253-N313 PolarHBondContact OD1-ND2 3.33Å |
| 254 | Q | 87.2 | Confident | 80.4 | Confident | 6 Ų | 6 | 26.1 Ų | 26.1 | 3% | 0.028 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 127.2 | 170.1 | -177.4 | -173.9 | 62.1 | 0 | 0 | 110.1 | Q193 F252 V302 S303 A304 N313 Q314 G315 | Q193-Q254 VanDerWaalsContact O-CA 3.31Å; Q193-Q254 WeakPolarHBondContact O-CA 3.42Å; F252-Q254 HydrophobicContact CE1-CB 3.65Å; F252-Q254 HydrophobicContact CZ-CB 4.09Å; Q254-V302 VanDerWaalsContact OE1-CG1 3.22Å; Q254-S303 PolarHBondContact NE2-O 3.19Å; Q254-A304 HydrophobicContact CB-CB 4.47Å; Q254-A304 VanDerWaalsContact OE1-CB 3.25Å; Q254-N313 PolarHBondContact N-O 3.48Å; Q254-Q314 VanDerWaalsContact O-CA 3.31Å; Q254-Q314 WeakPolarHBondContact O-CA 3.36Å; Q254-G315 PolarHBondContact O-N 3.33Å |
| 255 | G | 83.8 | Confident | 79.2 | Confident | 29 Ų | 29 | 25.8 Ų | 25.8 | 30% | 0.299 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 135.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q193 F195 | Q193-G255 PolarHBondContact O-N 3.19Å; F195-G255 PolarHBondContact N-O 2.79Å |
| 256 | F | 86.7 | Confident | 78.6 | Confident | 2 Ų | 2 | 27.6 Ų | 27.6 | 1% | 0.009 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 122.9 | 169 | -178.8 | -82.9 | 0 | 0 | 0 | 109.5 | F195 V240 V242 V300 V302 G315 F316 T317 | F195-F256 HydrophobicContact CB-CD2 4.13Å; F195-F256 AromaticContact CD1-CD2 3.39Å; F195-F256 HydrophobicContact CD1-CD2 3.39Å; F195-F256 AromaticContact CD1-CE2 3.2Å; F195-F256 HydrophobicContact CD1-CE2 3.2Å; F195-F256 HydrophobicContact CD1-CG 4.31Å; F195-F256 AromaticContact CD1-CZ 3.99Å; F195-F256 HydrophobicContact CD1-CZ 3.99Å; F195-F256 HydrophobicContact CE1-CD2 4.12Å; F195-F256 AromaticContact CE1-CE2 3.43Å; F195-F256 HydrophobicContact CE1-CE2 3.43Å; F195-F256 VanDerWaalsContact CE1-CE2 3.43Å; F195-F256 AromaticContact CE1-CZ 3.94Å; F195-F256 HydrophobicContact CE1-CZ 3.94Å; F195-F256 AromaticContact CG-CD2 3.97Å; F195-F256 HydrophobicContact CG-CD2 3.97Å; F195-F256 HydrophobicContact CG-CE2 4.07Å; F195-F256 HydrophobicContact CZ-CE2 4.43Å; F195-F256 WeakPolarHBondContact O-CA 2.96Å; V240-F256 HydrophobicContact CB-CE2 4.27Å; V240-F256 HydrophobicContact CB-CZ 4.49Å; V240-F256 HydrophobicContact CG1-CE2 3.64Å; V240-F256 HydrophobicContact CG1-CZ 4.29Å; V242-F256 HydrophobicContact CG2-CD2 3.88Å; V242-F256 HydrophobicContact CG2-CE2 4.11Å; F256-V300 HydrophobicContact CD2-CG1 4.5Å; F256-V300 HydrophobicContact CE1-CG1 3.94Å; F256-V300 HydrophobicContact CE2-CG1 3.86Å; F256-V300 HydrophobicContact CZ-CG1 3.56Å; F256-V300 HydrophobicContact CZ-CG2 4.33Å; F256-V302 HydrophobicContact CB-CG2 4.12Å; F256-V302 HydrophobicContact CD2-CG2 3.87Å; F256-V302 HydrophobicContact CE2-CG2 4.48Å; F256-V302 HydrophobicContact CG-CG2 3.94Å; F256-G315 PolarHBondContact N-O 3.13Å; F256-F316 HydrophobicContact CB-CD2 4.1Å; F256-F316 AromaticContact CD1-CD2 3.44Å; F256-F316 HydrophobicContact CD1-CD2 3.44Å; F256-F316 VanDerWaalsContact CD1-CD2 3.44Å; F256-F316 AromaticContact CD1-CE2 3.24Å; F256-F316 HydrophobicContact CD1-CE2 3.24Å; F256-F316 HydrophobicContact CD1-CG 4.3Å; F256-F316 AromaticContact CD1-CZ 3.96Å; F256-F316 HydrophobicContact CD1-CZ 3.96Å; F256-F316 HydrophobicContact CE1-CD2 4.15Å; F256-F316 AromaticContact CE1-CE2 3.46Å; F256-F316 HydrophobicContact CE1-CE2 3.46Å; F256-F316 VanDerWaalsContact CE1-CE2 3.46Å; F256-F316 AromaticContact CE1-CZ 3.89Å; F256-F316 HydrophobicContact CE1-CZ 3.89Å; F256-F316 AromaticContact CG-CD2 3.93Å; F256-F316 HydrophobicContact CG-CD2 3.93Å; F256-F316 HydrophobicContact CG-CE2 4.02Å; F256-F316 HydrophobicContact CZ-CE2 4.37Å; F256-F316 WeakPolarHBondContact O-CA 3.5Å; F256-T317 PolarHBondContact O-N 3.2Å |
| 257 | T | 85.9 | Confident | 77.9 | Confident | 58 Ų | 58 | 27.8 Ų | 27.8 | 36% | 0.356 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 126.1 | 175.8 | -55.1 | 0 | 0 | 0 | 0 | 109.9 | F195 T196 Y197 T317 | F195-T257 PolarHBondContact O-N 2.79Å; T196-T257 WeakPolarHBondContact CA-O 3.41Å; Y197-T257 PolarHBondContact N-O 3.31Å; T257-T317 WeakPolarHBondContact CA-O 3.46Å |
| 258 | Y | 82.2 | Confident | 77.8 | Confident | 10 Ų | 10 | 27.3 Ų | 27.3 | 4% | 0.039 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 118.4 | 164.1 | 179.1 | -84.1 | 0 | 0 | 0 | 107.8 | Y197 L238 V260 T317 Y318 G319 | Y197-Y258 AromaticContact CD1-CD2 3.39Å; Y197-Y258 HydrophobicContact CD1-CD2 3.39Å; Y197-Y258 AromaticContact CD1-CE2 3.27Å; Y197-Y258 HydrophobicContact CD1-CE2 3.27Å; Y197-Y258 HydrophobicContact CD1-CG 4.28Å; Y197-Y258 HydrophobicContact CE1-CD2 4.05Å; Y197-Y258 AromaticContact CE1-CE2 3.42Å; Y197-Y258 HydrophobicContact CE1-CE2 3.42Å; Y197-Y258 VanDerWaalsContact CE1-CE2 3.42Å; Y197-Y258 AromaticContact CE1-CZ 4Å; Y197-Y258 AromaticContact CG-CD2 3.9Å; Y197-Y258 HydrophobicContact CG-CD2 3.9Å; Y197-Y258 HydrophobicContact CG-CE2 4.06Å; L238-Y258 HydrophobicContact CD2-CD2 3.98Å; L238-Y258 HydrophobicContact CD2-CE2 3.46Å; L238-Y258 VanDerWaalsContact CD2-CE2 3.46Å; Y258-V260 HydrophobicContact CE1-CG2 3.83Å; Y258-T317 PolarHBondContact N-O 3.32Å; Y258-Y318 AromaticContact CD1-CD2 3.33Å; Y258-Y318 HydrophobicContact CD1-CD2 3.33Å; Y258-Y318 AromaticContact CD1-CE2 3.23Å; Y258-Y318 HydrophobicContact CD1-CE2 3.23Å; Y258-Y318 HydrophobicContact CD1-CG 4.22Å; Y258-Y318 AromaticContact CE1-CD2 3.95Å; Y258-Y318 HydrophobicContact CE1-CD2 3.95Å; Y258-Y318 AromaticContact CE1-CE2 3.32Å; Y258-Y318 HydrophobicContact CE1-CE2 3.32Å; Y258-Y318 AromaticContact CE1-CZ 3.92Å; Y258-Y318 AromaticContact CG-CD2 3.87Å; Y258-Y318 HydrophobicContact CG-CD2 3.87Å; Y258-Y318 HydrophobicContact CG-CE2 4.05Å; Y258-G319 PolarHBondContact O-N 2.95Å |
| 259 | G | 82 | Confident | 77.9 | Confident | 18 Ų | 18 | 23.6 Ų | 23.6 | 19% | 0.186 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 131.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y197 G198 V199 G319 | Y197-G259 PolarHBondContact O-N 2.85Å; G198-G259 WeakPolarHBondContact CA-O 3.41Å; V199-G259 PolarHBondContact N-O 3.29Å; G259-G319 WeakPolarHBondContact CA-O 3.04Å |
| 260 | V | 77.7 | Confident | 78.4 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 125.1 | 160.1 | 178.9 | 0 | 0 | 0 | 0 | 105.8 | V199 F231 Y258 G319 V320 T321 | V199-V260 HydrophobicContact CB-CG2 4.43Å; V199-V260 WeakPolarHBondContact O-CA 3.29Å; F231-V260 HydrophobicContact CE1-CG1 4.27Å; F231-V260 HydrophobicContact CE2-CG1 4.3Å; F231-V260 HydrophobicContact CZ-CG1 3.64Å; Y258-V260 HydrophobicContact CE1-CG2 3.83Å; V260-G319 PolarHBondContact N-O 3.32Å; V260-G319 VanDerWaalsContact N-O 3.09Å; V260-V320 HydrophobicContact CB-CG1 4.5Å; V260-V320 HydrophobicContact CB-CG2 4.44Å; V260-V320 WeakPolarHBondContact O-CA 3.43Å; V260-T321 PolarHBondContact O-N 2.98Å |
| 261 | T | 79.8 | Confident | 78.3 | Confident | 46 Ų | 46 | 23.9 Ų | 23.9 | 28% | 0.282 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 119.6 | 176.4 | -58.7 | 0 | 0 | 0 | 0 | 106.6 | V199 T200 D201 T321 | V199-T261 PolarHBondContact O-N 3Å; T200-T261 WeakPolarHBondContact CA-O 3.19Å; D201-T261 PolarHBondContact N-O 3.32Å; T261-T321 WeakPolarHBondContact CA-O 3.41Å |
| 262 | D | 73.6 | Confident | 78.2 | Confident | 5 Ų | 5 | 25 Ų | 25 | 3% | 0.027 | 16% | 0.156 | C | C | . | . | trans | -102.4 | 140.8 | 160.7 | -169.5 | 10.5 | 0 | 0 | 0 | 107.8 | F231 F291 T321 T323 | F231-D262 HydrophobicContact CB-CB 4.5Å; F231-D262 WeakPolarHBondContact CB-OD2 3.23Å; F231-D262 HydrophobicContact CD2-CB 4.33Å; F231-D262 HydrophobicContact CG-CB 4.39Å; D262-F291 HydrophobicContact CB-CD2 3.93Å; D262-F291 HydrophobicContact CB-CE2 3.88Å; D262-F291 WeakPolarHBondContact OD2-CD2 3.5Å; D262-T321 PolarHBondContact N-O 3.37Å; D262-T323 PolarHBondContact O-N 2.81Å | ||
| 263 | T | 71.4 | Confident | 77.9 | Confident | 50 Ų | 50 | 25.3 Ų | 25.3 | 31% | 0.307 | 16% | 0.158 | S | C | . | . | trans | -139.6 | 99.9 | 176.7 | -56.9 | 0 | 0 | 0 | 0 | 105.8 | D201 A203 | D201-T263 PolarHBondContact O-N 2.9Å; A203-T263 PolarHBondContact N-O 3.05Å | ||
| 264 | A | 63.5 | Low | 77.6 | Confident | 10 Ų | 10 | 25.1 Ų | 25.1 | 8% | 0.083 | 16% | 0.159 | C | C | . | . | P | Polyproline II helix | trans | -70.8 | 163.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | D289 T323 P325 | A264-D289 WeakPolarHBondContact CB-OD2 3.24Å; A264-T323 WeakPolarHBondContact CB-O 3.47Å; A264-T323 PolarHBondContact N-O 3.06Å; A264-P325 HydrophobicContact CB-CB 3.91Å; A264-P325 HydrophobicContact CB-CG 3.68Å |
| 265 | P | 61.7 | Low | 77 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | P | Polyproline II helix | trans | -95.2 | 128.4 | -167.3 | 30.5 | -24.2 | 0 | 0 | 0 | 115 | A203 P204 T228 V267 P325 | A203-P265 HydrophobicContact CB-CB 3.84Å; A203-P265 HydrophobicContact CB-CG 3.61Å; P204-P265 WeakPolarHBondContact O-CB 3.28Å; T228-P265 HydrophobicContact CG2-CG 3.66Å; P265-V267 VanDerWaalsContact O-CG2 3.24Å; P265-V267 WeakPolarHBondContact O-CG2 3.39Å; P265-V267 PolarHBondContact O-N 2.77Å; P265-P325 WeakPolarHBondContact O-CB 3.41Å |
| 266 | D | 69.1 | Low | 76.4 | Confident | 79 Ų | 79 | 25.6 Ų | 25.6 | 42% | 0.422 | 16% | 0.158 | S | C | . | . | P | Polyproline II helix | trans | -56 | 127.1 | 178.2 | -77.5 | -12.3 | 0 | 0 | 0 | 110.8 | D205 V206 D326 | D205-D266 PolarHBondContact OD1-N 2.84Å; D205-D266 VanDerWaalsContact OD1-N 3.14Å; V206-D266 PolarHBondContact N-O 3.41Å; D266-D326 PolarHBondContact OD1-N 2.79Å; D266-D326 VanDerWaalsContact OD1-N 3.13Å |
| 267 | V | 69.2 | Low | 75.5 | Confident | 3 Ų | 3 | 28.3 Ų | 28.3 | 2% | 0.018 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 112 | -176.1 | -173.9 | 0 | 0 | 0 | 0 | 109.8 | T226 T228 P265 T269 T287 D326 S328 | T226-V267 HydrophobicContact CG2-CG1 4.03Å; T228-V267 HydrophobicContact CG2-CG2 3.55Å; P265-V267 VanDerWaalsContact O-CG2 3.24Å; P265-V267 WeakPolarHBondContact O-CG2 3.39Å; P265-V267 PolarHBondContact O-N 2.77Å; V267-T269 HydrophobicContact CG1-CG2 4.09Å; V267-T287 HydrophobicContact CG1-CG2 4.44Å; V267-D326 PolarHBondContact N-O 3.02Å; V267-S328 PolarHBondContact O-N 2.83Å; V267-S328 PolarHBondContact O-OG 3.03Å |
| 268 | S | 77.8 | Confident | 74.6 | Confident | 34 Ų | 34 | 25.6 Ų | 25.6 | 24% | 0.238 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 120.2 | 171.2 | 63.2 | 0 | 0 | 0 | 0 | 111.7 | V206 S207 T208 S328 | V206-S268 PolarHBondContact O-N 3.45Å; S207-S268 WeakPolarHBondContact CA-OG 3.41Å; S207-S268 WeakPolarHBondContact CB-OG 3.39Å; T208-S268 PolarHBondContact N-O 2.91Å; T208-S268 PolarHBondContact OG1-O 2.98Å; S268-S328 WeakPolarHBondContact CA-OG 3.44Å; S268-S328 WeakPolarHBondContact CB-OG 3.37Å |
| 269 | T | 73.3 | Confident | 74 | Confident | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.006 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 109.6 | 174.3 | 67.1 | 0 | 0 | 0 | 0 | 109.9 | T208 V267 S328 T329 N330 | T208-T269 WeakPolarHBondContact OG1-CA 3.47Å; T208-T269 WeakPolarHBondContact OG1-CB 3.19Å; T208-T269 VanDerWaalsContact OG1-CG2 3.31Å; T208-T269 WeakPolarHBondContact OG1-CG2 3.37Å; V267-T269 HydrophobicContact CG1-CG2 4.09Å; T269-S328 PolarHBondContact N-O 2.9Å; T269-S328 PolarHBondContact OG1-O 2.86Å; T269-T329 WeakPolarHBondContact OG1-CA 3.45Å; T269-T329 WeakPolarHBondContact OG1-CB 3.5Å; T269-T329 VanDerWaalsContact OG1-CG2 3.3Å; T269-T329 WeakPolarHBondContact OG1-CG2 3.44Å; T269-N330 PolarHBondContact O-N 2.87Å |
| 270 | N | 80.4 | Confident | 73.7 | Confident | 53 Ų | 53 | 29.6 Ų | 29.6 | 28% | 0.283 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 114.8 | 178.7 | -58.4 | -56.1 | 0 | 0 | 0 | 110.1 | T208 N209 S210 N330 | T208-N270 PolarHBondContact O-N 3.01Å; N209-N270 WeakPolarHBondContact CA-O 3.27Å; N209-N270 WeakPolarHBondContact OD1-CB 3.19Å; N209-N270 PolarHBondContact OD1-ND2 3.26Å; S210-N270 PolarHBondContact N-O 2.85Å; N270-N330 CarbonylContact C-O 3.6Å; N270-N330 WeakPolarHBondContact CA-O 3.43Å; N270-N330 WeakPolarHBondContact OD1-CB 3.48Å; N270-N330 PolarHBondContact OD1-ND2 2.76Å |
| 271 | S | 77.9 | Confident | 73.7 | Confident | 8 Ų | 8 | 29.7 Ų | 29.7 | 6% | 0.056 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 122.5 | -178.6 | -68 | 0 | 0 | 0 | 0 | 111.7 | S210 N330 S331 T332 | S210-S271 WeakPolarHBondContact O-CA 3.35Å; S271-N330 PolarHBondContact N-O 3.11Å; S271-S331 CarbonylContact O-C 3.44Å; S271-S331 WeakPolarHBondContact O-CA 3.46Å; S271-T332 PolarHBondContact O-N 3.21Å |
| 272 | T | 83.6 | Confident | 73.5 | Confident | 62 Ų | 62 | 29.8 Ų | 29.8 | 38% | 0.38 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 111.3 | 169 | -58.6 | 0 | 0 | 0 | 0 | 109.2 | S210 T211 I212 T332 | S210-T272 PolarHBondContact O-N 2.75Å; T211-T272 CarbonylContact C-O 3.59Å; T211-T272 WeakPolarHBondContact CA-O 3.45Å; I212-T272 PolarHBondContact N-O 3.39Å; T272-T332 CarbonylContact C-O 3.57Å; T272-T332 WeakPolarHBondContact CA-O 3.34Å |
| 273 | I | 80.9 | Confident | 73.3 | Confident | 7 Ų | 7 | 29.9 Ų | 29.9 | 4% | 0.036 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 121.5 | -175.9 | -56.9 | 165 | 0 | 0 | 0 | 109.5 | I212 F220 T222 F281 T283 T332 I333 T334 | I212-I273 HydrophobicContact CB-CG1 4.43Å; I212-I273 HydrophobicContact CD1-CG1 4.33Å; I212-I273 CarbonylContact O-C 3.55Å; I212-I273 WeakPolarHBondContact O-CA 3.43Å; F220-I273 HydrophobicContact CE1-CG2 3.9Å; F220-I273 HydrophobicContact CZ-CG2 3.63Å; T222-I273 HydrophobicContact CG2-CD1 3.93Å; I273-F281 HydrophobicContact CG2-CE2 3.81Å; I273-F281 HydrophobicContact CG2-CZ 3.79Å; I273-T283 HydrophobicContact CD1-CG2 4.16Å; I273-T332 PolarHBondContact N-O 3.26Å; I273-I333 HydrophobicContact CB-CG1 4.48Å; I273-I333 HydrophobicContact CD1-CG1 4.33Å; I273-I333 CarbonylContact O-C 3.59Å; I273-I333 WeakPolarHBondContact O-CA 3.29Å; I273-T334 PolarHBondContact O-N 3.4Å |
| 274 | T | 81.4 | Confident | 73.3 | Confident | 46 Ų | 46 | 29.5 Ų | 29.5 | 28% | 0.282 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 119.2 | 174.1 | -57.4 | 0 | 0 | 0 | 0 | 110.3 | I212 T213 A214 T334 | I212-T274 PolarHBondContact O-N 3.45Å; T213-T274 CarbonylContact C-O 3.51Å; T213-T274 WeakPolarHBondContact CA-O 3.47Å; A214-T274 PolarHBondContact N-O 2.84Å; T274-T334 CarbonylContact C-O 3.54Å; T274-T334 WeakPolarHBondContact CA-O 3.43Å |
| 275 | A | 75.4 | Confident | 73.2 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 125.7 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | A214 F281 T334 A335 S336 | A214-A275 WeakPolarHBondContact O-CA 3.46Å; A275-F281 HydrophobicContact CB-CD2 3.96Å; A275-F281 HydrophobicContact CB-CE2 3.91Å; A275-T334 PolarHBondContact N-O 2.92Å; A275-A335 WeakPolarHBondContact O-CA 3.44Å; A275-S336 PolarHBondContact O-N 3.31Å |
| 276 | S | 71.2 | Confident | 73.4 | Confident | 45 Ų | 45 | 31.5 Ų | 31.5 | 32% | 0.315 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 128.7 | -179.8 | -48.9 | 0 | 0 | 0 | 0 | 110.8 | A214 A216 | A214-S276 PolarHBondContact O-N 3.19Å; A216-S276 PolarHBondContact N-O 2.99Å |
| 277 | A | 67.3 | Low | 73 | Confident | 59 Ų | 59 | 27.9 Ų | 27.9 | 49% | 0.488 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 57.3 | 67.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | T217 S336 | T217-A277 PolarHBondContact N-O 3.17Å; A277-S336 WeakPolarHBondContact CA-O 3.49Å; A277-S336 PolarHBondContact N-O 2.93Å |
| 278 | T | 66.5 | Low | 72.5 | Confident | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.012 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 128 | -174.1 | -60.2 | 0 | 0 | 0 | 0 | 113.7 | T217 F220 N280 A337 T338 | T217-T278 WeakPolarHBondContact O-CA 3.33Å; T217-T278 VanDerWaalsContact O-CB 3.27Å; T217-T278 WeakPolarHBondContact O-CB 3.48Å; T217-T278 VanDerWaalsContact O-CG2 3.25Å; T217-T278 WeakPolarHBondContact O-CG2 3.42Å; T217-T278 PolarHBondContact O-OG1 3.12Å; T217-T278 PolarHBondContact OG1-OG1 2.92Å; F220-T278 HydrophobicContact CB-CG2 3.83Å; T278-N280 VanDerWaalsContact CG2-O 3.25Å; T278-N280 WeakPolarHBondContact CG2-O 3.49Å; T278-A337 PolarHBondContact N-O 2.86Å; T278-A337 VanDerWaalsContact N-O 3.15Å; T278-T338 WeakPolarHBondContact O-CA 3.49Å; T278-T338 VanDerWaalsContact O-CB 3.3Å; T278-T338 WeakPolarHBondContact O-CB 3.37Å; T278-T338 WeakPolarHBondContact O-CG2 3.45Å |
| 279 | T | 70.1 | Confident | 71.4 | Confident | 55 Ų | 55 | 30 Ų | 30 | 34% | 0.337 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | -45.6 | -179.2 | 49.7 | 0 | 0 | 0 | 0 | 113.4 | T218 T339 N340 | T218-T279 VanDerWaalsContact C-OG1 3.27Å; T218-T279 WeakPolarHBondContact O-CA 3.46Å; T218-T279 WeakPolarHBondContact O-CB 3.45Å; T218-T279 PolarHBondContact O-N 3.08Å; T218-T279 PolarHBondContact O-OG1 3.34Å; T279-T339 VanDerWaalsContact C-OG1 3.3Å; T279-T339 WeakPolarHBondContact CA-OG1 3.41Å; T279-T339 WeakPolarHBondContact CB-OG1 3.44Å; T279-T339 PolarHBondContact O-N 2.92Å; T279-T339 VanDerWaalsContact O-N 3.11Å; T279-T339 PolarHBondContact O-OG1 2.91Å; T279-N340 PolarHBondContact O-N 3.01Å |
| 280 | N | 76.9 | Confident | 70.7 | Confident | 57 Ų | 57 | 31 Ų | 31 | 31% | 0.305 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 129.9 | 179.2 | -57.7 | -54.6 | 0 | 0 | 0 | 110.9 | T218 N219 F220 T278 N340 | T218-N280 PolarHBondContact O-N 3.46Å; N219-N280 WeakPolarHBondContact CA-O 3.5Å; N219-N280 WeakPolarHBondContact OD1-CB 3.47Å; N219-N280 PolarHBondContact OD1-ND2 3Å; F220-N280 PolarHBondContact N-O 2.9Å; T278-N280 VanDerWaalsContact CG2-O 3.25Å; T278-N280 WeakPolarHBondContact CG2-O 3.49Å; N280-N340 WeakPolarHBondContact CA-O 3.24Å; N280-N340 WeakPolarHBondContact OD1-CB 3.39Å; N280-N340 PolarHBondContact OD1-ND2 2.89Å |
| 281 | F | 76.4 | Confident | 69.8 | Low | 1 Ų | 1 | 28.8 Ų | 28.8 | 0% | 0.004 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 124.4 | 179.7 | -178.4 | -88.4 | 0 | 0 | 0 | 110.5 | F220 I273 A275 T283 I333 T338 N340 F341 T342 | F220-F281 HydrophobicContact CB-CD2 4Å; F220-F281 AromaticContact CD1-CD2 3.33Å; F220-F281 HydrophobicContact CD1-CD2 3.33Å; F220-F281 AromaticContact CD1-CE2 3.27Å; F220-F281 HydrophobicContact CD1-CE2 3.27Å; F220-F281 HydrophobicContact CD1-CG 4.2Å; F220-F281 HydrophobicContact CD1-CZ 4.12Å; F220-F281 AromaticContact CE1-CD2 3.98Å; F220-F281 HydrophobicContact CE1-CD2 3.98Å; F220-F281 AromaticContact CE1-CE2 3.39Å; F220-F281 HydrophobicContact CE1-CE2 3.39Å; F220-F281 AromaticContact CE1-CZ 3.98Å; F220-F281 HydrophobicContact CE1-CZ 3.98Å; F220-F281 AromaticContact CG-CD2 3.8Å; F220-F281 HydrophobicContact CG-CD2 3.8Å; F220-F281 AromaticContact CG-CE2 4Å; F220-F281 HydrophobicContact CG-CE2 4Å; F220-F281 HydrophobicContact CZ-CE2 4.19Å; F220-F281 CarbonylContact O-C 3.59Å; F220-F281 WeakPolarHBondContact O-CA 3.36Å; I273-F281 HydrophobicContact CG2-CE2 3.81Å; I273-F281 HydrophobicContact CG2-CZ 3.79Å; A275-F281 HydrophobicContact CB-CD2 3.96Å; A275-F281 HydrophobicContact CB-CE2 3.91Å; F281-T283 HydrophobicContact CD1-CG2 4.02Å; F281-T283 HydrophobicContact CE1-CG2 3.18Å; F281-T283 HydrophobicContact CE2-CG2 4.35Å; F281-T283 HydrophobicContact CZ-CG2 3.36Å; F281-I333 HydrophobicContact CE1-CG2 3.66Å; F281-I333 HydrophobicContact CE2-CG2 4.49Å; F281-I333 HydrophobicContact CZ-CG2 3.48Å; F281-I333 VanDerWaalsContact CZ-CG2 3.48Å; F281-T338 HydrophobicContact CB-CG2 4.15Å; F281-N340 PolarHBondContact N-O 3.39Å; F281-F341 HydrophobicContact CB-CD2 4.16Å; F281-F341 AromaticContact CD1-CD2 3.51Å; F281-F341 HydrophobicContact CD1-CD2 3.51Å; F281-F341 AromaticContact CD1-CE2 3.27Å; F281-F341 HydrophobicContact CD1-CE2 3.27Å; F281-F341 HydrophobicContact CD1-CG 4.28Å; F281-F341 AromaticContact CD1-CZ 3.86Å; F281-F341 HydrophobicContact CD1-CZ 3.86Å; F281-F341 HydrophobicContact CE1-CD2 4.13Å; F281-F341 AromaticContact CE1-CE2 3.39Å; F281-F341 HydrophobicContact CE1-CE2 3.39Å; F281-F341 AromaticContact CE1-CZ 3.72Å; F281-F341 HydrophobicContact CE1-CZ 3.72Å; F281-F341 HydrophobicContact CG-CD2 4.02Å; F281-F341 HydrophobicContact CG-CE2 4.07Å; F281-F341 HydrophobicContact CZ-CE2 4.3Å; F281-T342 PolarHBondContact O-N 3.13Å; F281-T342 VanDerWaalsContact O-O 3.08Å |
| 282 | T | 75.8 | Confident | 69 | Low | 49 Ų | 49 | 31.1 Ų | 31.1 | 30% | 0.301 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 132.5 | 179.7 | -53.3 | 0 | 0 | 0 | 0 | 111.3 | F220 T221 T222 T342 | F220-T282 PolarHBondContact O-N 3.3Å; T221-T282 CarbonylContact C-O 3.55Å; T221-T282 VanDerWaalsContact CA-O 3.29Å; T221-T282 WeakPolarHBondContact CA-O 3.46Å; T222-T282 PolarHBondContact N-O 2.86Å; T282-T342 VanDerWaalsContact CA-O 3.3Å; T282-T342 WeakPolarHBondContact CA-O 3.26Å |
| 283 | T | 69.8 | Low | 68.1 | Low | 6 Ų | 6 | 28.8 Ų | 28.8 | 4% | 0.037 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 138.4 | 176.5 | 65.4 | 0 | 0 | 0 | 0 | 110.8 | T222 I273 F281 I333 T342 T343 T344 | T222-T283 HydrophobicContact CG2-CG2 3.48Å; T222-T283 VanDerWaalsContact CG2-CG2 3.48Å; T222-T283 CarbonylContact O-C 3.6Å; T222-T283 WeakPolarHBondContact O-CA 3.4Å; I273-T283 HydrophobicContact CD1-CG2 4.16Å; F281-T283 HydrophobicContact CD1-CG2 4.02Å; F281-T283 HydrophobicContact CE1-CG2 3.18Å; F281-T283 HydrophobicContact CE2-CG2 4.35Å; F281-T283 HydrophobicContact CZ-CG2 3.36Å; T283-I333 HydrophobicContact CG2-CD1 4.42Å; T283-T342 PolarHBondContact N-O 3.21Å; T283-T343 WeakPolarHBondContact OG1-CA 3.4Å; T283-T343 WeakPolarHBondContact OG1-CB 3.49Å; T283-T343 WeakPolarHBondContact OG1-CG2 3.3Å; T283-T343 PolarHBondContact OG1-OG1 2.89Å; T283-T344 PolarHBondContact O-N 2.8Å |
| 284 | T | 71 | Confident | 66.8 | Low | 43 Ų | 43 | 29.8 Ų | 29.8 | 26% | 0.264 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 128.9 | 174.9 | -55.1 | 0 | 0 | 0 | 0 | 110.9 | T222 T223 T224 T344 | T222-T284 PolarHBondContact O-N 3.07Å; T223-T284 CarbonylContact C-O 3.6Å; T223-T284 WeakPolarHBondContact CA-O 3.42Å; T224-T284 PolarHBondContact N-O 3.08Å; T284-T344 VanDerWaalsContact CA-O 3.25Å; T284-T344 WeakPolarHBondContact CA-O 3.39Å |
| 285 | T | 62.1 | Low | 65.5 | Low | 13 Ų | 13 | 33.4 Ų | 33.4 | 8% | 0.08 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 134.5 | 173.5 | -48.7 | 0 | 0 | 0 | 0 | 110.1 | T224 T344 T346 | T224-T285 CarbonylContact O-C 3.59Å; T224-T285 VanDerWaalsContact O-CA 3.24Å; T224-T285 WeakPolarHBondContact O-CA 3.29Å; T285-T344 PolarHBondContact N-O 2.89Å; T285-T346 PolarHBondContact O-N 2.83Å; T285-T346 VanDerWaalsContact O-O 3.09Å |
| 286 | T | 65.3 | Low | 64.5 | Low | 38 Ų | 38 | 34.5 Ų | 34.5 | 23% | 0.233 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 132.7 | 179.9 | -48.6 | 0 | 0 | 0 | 0 | 112.2 | T224 T225 T226 T346 | T224-T286 PolarHBondContact O-N 3.19Å; T225-T286 WeakPolarHBondContact CA-O 3.45Å; T226-T286 PolarHBondContact N-O 3.36Å; T286-T346 VanDerWaalsContact CA-O 3.26Å; T286-T346 WeakPolarHBondContact CA-O 3.48Å |
| 287 | T | 60.6 | Low | 64.2 | Low | 4 Ų | 4 | 34.3 Ų | 34.3 | 3% | 0.025 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 140 | 172.8 | 60.7 | 0 | 0 | 0 | 0 | 110.7 | T226 V267 V327 T348 | T226-T287 VanDerWaalsContact O-CA 3.25Å; T226-T287 WeakPolarHBondContact O-CA 3.4Å; V267-T287 HydrophobicContact CG1-CG2 4.44Å; T287-V327 HydrophobicContact CG2-CG1 4.43Å; T287-T348 CarbonylContact C-O 3.59Å; T287-T348 PolarHBondContact O-N 3.27Å; T287-T348 PolarHBondContact O-OG1 3.29Å |
| 288 | T | 59.6 | Low | 64.4 | Low | 53 Ų | 53 | 31.9 Ų | 31.9 | 33% | 0.325 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 140.7 | -179.5 | 51.2 | 0 | 0 | 0 | 0 | 111.9 | T226 T227 T228 T348 | T226-T288 PolarHBondContact O-N 3.27Å; T227-T288 WeakPolarHBondContact CG2-OG1 3.46Å; T228-T288 PolarHBondContact N-O 3.3Å; T228-T288 PolarHBondContact OG1-O 3.04Å; T228-T288 VanDerWaalsContact OG1-O 3.04Å; T288-T348 VanDerWaalsContact CA-O 3.31Å; T288-T348 WeakPolarHBondContact CA-O 2.99Å; T288-T348 WeakPolarHBondContact CG2-OG1 3.42Å |
| 289 | D | 54.2 | Low | 65 | Low | 29 Ų | 29 | 34.4 Ų | 34.4 | 16% | 0.155 | 20% | 0.199 | C | C | . | . | trans | -132.9 | -180 | 176.8 | -167.3 | 8.5 | 0 | 0 | 0 | 111.9 | T228 D229 A264 P325 D350 | T228-D289 WeakPolarHBondContact OG1-CB 3.41Å; D229-D289 PolarHBondContact N-OD1 2.84Å; D229-D289 CarbonylContact O-C 3.52Å; A264-D289 WeakPolarHBondContact CB-OD2 3.24Å; D289-P325 WeakPolarHBondContact OD2-CD 3.5Å; D289-P325 WeakPolarHBondContact OD2-CG 2.92Å; D289-D350 WeakPolarHBondContact CA-OD2 3.38Å; D289-D350 WeakPolarHBondContact CB-OD2 3.35Å; D289-D350 VanDerWaalsContact CG-OD2 3.3Å; D289-D350 WeakPolarHBondContact O-CB 3.36Å | ||
| 290 | G | 57.6 | Low | 65.5 | Low | 22 Ų | 22 | 32 Ų | 32 | 23% | 0.227 | 19% | 0.185 | C | C | . | . | trans | -169.6 | 97.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 122.9 | D229 G230 F231 D350 | D229-G290 PolarHBondContact O-N 3.44Å; G230-G290 CarbonylContact C-O 3.41Å; G230-G290 WeakPolarHBondContact CA-O 3.08Å; F231-G290 PolarHBondContact N-O 2.95Å; G290-D350 VanDerWaalsContact C-OD1 3.28Å; G290-D350 WeakPolarHBondContact CA-OD1 3.48Å; G290-D350 VanDerWaalsContact CA-OD2 3.26Å; G290-D350 WeakPolarHBondContact CA-OD2 3.43Å; G290-D350 PolarHBondContact N-OD2 3.24Å | ||
| 291 | F | 61.7 | Low | 65.9 | Low | 6 Ų | 6 | 31.7 Ų | 31.7 | 3% | 0.026 | 19% | 0.19 | C | C | . | . | trans | -86.2 | 120.9 | 169.7 | -175.2 | -88.5 | 0 | 0 | 0 | 114.9 | F231 D262 Q293 V320 D322 D350 F352 N353 | F231-F291 HydrophobicContact CB-CD2 3.91Å; F231-F291 HydrophobicContact CB-CE2 4.31Å; F231-F291 AromaticContact CD1-CD2 3.72Å; F231-F291 HydrophobicContact CD1-CD2 3.72Å; F231-F291 AromaticContact CD1-CE2 3.31Å; F231-F291 HydrophobicContact CD1-CE2 3.31Å; F231-F291 AromaticContact CD1-CZ 3.89Å; F231-F291 HydrophobicContact CD1-CZ 3.89Å; F231-F291 AromaticContact CE1-CE2 3.75Å; F231-F291 HydrophobicContact CE1-CE2 3.75Å; F231-F291 HydrophobicContact CE1-CZ 4.02Å; F231-F291 HydrophobicContact CG-CD2 4.04Å; F231-F291 AromaticContact CG-CE2 3.91Å; F231-F291 HydrophobicContact CG-CE2 3.91Å; D262-F291 HydrophobicContact CB-CD2 3.93Å; D262-F291 HydrophobicContact CB-CE2 3.88Å; D262-F291 WeakPolarHBondContact OD2-CD2 3.5Å; F291-Q293 HydrophobicContact CE1-CB 4.01Å; F291-Q293 HydrophobicContact CZ-CB 4.22Å; F291-V320 HydrophobicContact CZ-CG1 4.47Å; F291-D322 WeakPolarHBondContact CB-OD2 3.47Å; F291-D322 HydrophobicContact CD2-CB 4.29Å; F291-D322 WeakPolarHBondContact CD2-OD2 3.45Å; F291-D322 HydrophobicContact CE2-CB 4.43Å; F291-D322 WeakPolarHBondContact CG-OD2 3.43Å; F291-D350 PolarHBondContact N-OD1 3.35Å; F291-F352 AromaticContact CD1-CD2 3.51Å; F291-F352 HydrophobicContact CD1-CD2 3.51Å; F291-F352 AromaticContact CD1-CE2 3.94Å; F291-F352 HydrophobicContact CD1-CE2 3.94Å; F291-F352 HydrophobicContact CD1-CG 4.13Å; F291-F352 AromaticContact CE1-CD2 3.49Å; F291-F352 HydrophobicContact CE1-CD2 3.49Å; F291-F352 VanDerWaalsContact CE1-CD2 3.49Å; F291-F352 AromaticContact CE1-CE2 3.38Å; F291-F352 HydrophobicContact CE1-CE2 3.38Å; F291-F352 HydrophobicContact CE1-CG 4.34Å; F291-F352 HydrophobicContact CE1-CZ 4.16Å; F291-F352 HydrophobicContact CG-CD2 4.3Å; F291-F352 HydrophobicContact CZ-CD2 4.26Å; F291-F352 AromaticContact CZ-CE2 3.91Å; F291-F352 HydrophobicContact CZ-CE2 3.91Å; F291-N353 PolarHBondContact O-N 2.95Å | ||
| 292 | N | 61.7 | Low | 66.4 | Low | 57 Ų | 57 | 31.7 Ų | 31.7 | 31% | 0.305 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 108.8 | 177.6 | -161.1 | -39.7 | 0 | 0 | 0 | 115.3 | F231 N232 Q233 | F231-N292 CarbonylContact O-C 3.56Å; F231-N292 PolarHBondContact O-N 3Å; F231-N292 VanDerWaalsContact O-O 3.1Å; N232-N292 WeakPolarHBondContact CA-O 3.37Å; Q233-N292 PolarHBondContact N-O 3.09Å |
| 293 | Q | 63.5 | Low | 67 | Low | 12 Ų | 12 | 31.7 Ų | 31.7 | 6% | 0.056 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 110.4 | 171.1 | -170.8 | -178.3 | 64 | 0 | 0 | 111.8 | Q233 F291 N353 Q354 S355 | Q233-Q293 HydrophobicContact CB-CG 4.39Å; F291-Q293 HydrophobicContact CE1-CB 4.01Å; F291-Q293 HydrophobicContact CZ-CB 4.22Å; Q293-N353 PolarHBondContact N-O 2.67Å; Q293-Q354 WeakPolarHBondContact O-CA 3.28Å; Q293-S355 PolarHBondContact O-N 3.36Å |
| 294 | S | 54.2 | Low | 67.8 | Low | 28 Ų | 28 | 31.7 Ų | 31.7 | 20% | 0.196 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 120 | -177.4 | 65.4 | 0 | 0 | 0 | 0 | 115.1 | Q233 S234 K235 | Q233-S294 PolarHBondContact O-N 3.1Å; S234-S294 VanDerWaalsContact CA-O 3.29Å; S234-S294 WeakPolarHBondContact CA-O 3.24Å; K235-S294 PolarHBondContact N-O 3.44Å |
| 295 | K | 54.3 | Low | 68.5 | Low | 123 Ų | 123 | 31.5 Ų | 31.5 | 54% | 0.535 | 19% | 0.193 | S | C | . | . | trans | 74.7 | 100.6 | 174.5 | -59 | 174.2 | 178.8 | 164.4 | 0 | 118.9 | K235 S236 S355 K356 | K235-K295 WeakPolarHBondContact CA-O 3.35Å; K235-K295 HydrophobicContact CG-CB 4.23Å; K235-K295 HydrophobicContact CG-CD 4.36Å; K235-K295 PolarHBondContact N-O 3.36Å; S236-K295 PolarHBondContact N-O 3.05Å; K295-S355 PolarHBondContact N-O 3.44Å; K295-K356 VanDerWaalsContact CA-O 3.32Å; K295-K356 WeakPolarHBondContact CA-O 3.45Å | ||
| 296 | S | 54.9 | Low | 69.6 | Low | 23 Ų | 23 | 30.9 Ų | 30.9 | 16% | 0.161 | 19% | 0.189 | C | C | . | . | trans | -162.4 | 109.5 | 162.7 | 53 | 0 | 0 | 0 | 0 | 116.3 | S236 L298 S357 | S236-S296 WeakPolarHBondContact O-CA 3.49Å; S236-S296 WeakPolarHBondContact O-CB 3.4Å; S296-L298 PolarHBondContact O-N 2.83Å; S296-L298 VanDerWaalsContact O-N 3.15Å; S296-S357 VanDerWaalsContact C-OG 3.29Å; S296-S357 WeakPolarHBondContact O-CB 3.32Å; S296-S357 PolarHBondContact O-OG 3.41Å | ||
| 297 | S | 64.7 | Low | 70.3 | Confident | 41 Ų | 41 | 30.6 Ų | 30.6 | 29% | 0.287 | 19% | 0.188 | S | C | . | . | trans | -67.6 | 116.7 | 172.2 | 63.9 | 0 | 0 | 0 | 0 | 110.1 | L238 | L238-S297 PolarHBondContact N-O 3.19Å; L238-S297 VanDerWaalsContact N-O 3.08Å | ||
| 298 | L | 71.6 | Confident | 70.8 | Confident | 8 Ų | 8 | 34.1 Ų | 34.1 | 4% | 0.042 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 111.7 | 178.5 | 174.3 | 57 | 0 | 0 | 0 | 108.9 | L238 S296 V300 Y318 S358 L359 N360 | L238-L298 HydrophobicContact CB-CD1 3.82Å; L238-L298 HydrophobicContact CD2-CD1 3.61Å; L238-L298 HydrophobicContact CG-CD1 3.56Å; L238-L298 WeakPolarHBondContact O-CA 3.4Å; S296-L298 PolarHBondContact O-N 2.83Å; S296-L298 VanDerWaalsContact O-N 3.15Å; L298-V300 HydrophobicContact CD1-CG2 3.35Å; L298-V300 HydrophobicContact CD2-CG2 4.27Å; L298-V300 HydrophobicContact CG-CG2 3.72Å; L298-Y318 HydrophobicContact CD2-CD2 3.93Å; L298-Y318 HydrophobicContact CD2-CE2 3.42Å; L298-Y318 VanDerWaalsContact CD2-CE2 3.42Å; L298-S358 PolarHBondContact N-O 3.47Å; L298-L359 HydrophobicContact CB-CD1 3.8Å; L298-L359 HydrophobicContact CD2-CD1 3.58Å; L298-L359 HydrophobicContact CG-CD1 3.54Å; L298-L359 WeakPolarHBondContact O-CA 3.3Å; L298-N360 PolarHBondContact O-N 2.95Å |
| 299 | N | 79.6 | Confident | 71.4 | Confident | 54 Ų | 54 | 31.9 Ų | 31.9 | 29% | 0.289 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 114.5 | 172.9 | -58.5 | -59.6 | 0 | 0 | 0 | 108.4 | L238 N239 V240 N360 | L238-N299 PolarHBondContact O-N 3.38Å; N239-N299 WeakPolarHBondContact CA-O 3.42Å; N239-N299 PolarHBondContact OD1-ND2 3.35Å; V240-N299 PolarHBondContact N-O 3.23Å; N299-N360 WeakPolarHBondContact CA-O 3.39Å; N299-N360 PolarHBondContact OD1-ND2 3.46Å |
| 300 | V | 80.6 | Confident | 72.7 | Confident | 6 Ų | 6 | 32.8 Ų | 32.8 | 4% | 0.036 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 123.1 | -179.8 | -171 | 0 | 0 | 0 | 0 | 109.8 | V240 F256 L298 V302 F316 N360 V361 A362 | V240-V300 HydrophobicContact CB-CG1 4.39Å; V240-V300 WeakPolarHBondContact O-CA 3.34Å; F256-V300 HydrophobicContact CD2-CG1 4.5Å; F256-V300 HydrophobicContact CE1-CG1 3.94Å; F256-V300 HydrophobicContact CE2-CG1 3.86Å; F256-V300 HydrophobicContact CZ-CG1 3.56Å; F256-V300 HydrophobicContact CZ-CG2 4.33Å; L298-V300 HydrophobicContact CD1-CG2 3.35Å; L298-V300 HydrophobicContact CD2-CG2 4.27Å; L298-V300 HydrophobicContact CG-CG2 3.72Å; V300-V302 HydrophobicContact CG1-CG2 3.88Å; V300-F316 HydrophobicContact CB-CE2 4.28Å; V300-F316 HydrophobicContact CG1-CE2 3.64Å; V300-F316 HydrophobicContact CG1-CZ 4.29Å; V300-N360 PolarHBondContact N-O 2.92Å; V300-V361 HydrophobicContact CB-CG1 4.4Å; V300-V361 WeakPolarHBondContact O-CA 3.42Å; V300-A362 PolarHBondContact O-N 3.04Å |
| 301 | A | 85.7 | Confident | 74 | Confident | 49 Ų | 49 | 33.6 Ų | 33.6 | 41% | 0.405 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 114.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | V240 A241 V242 A362 | V240-A301 PolarHBondContact O-N 2.9Å; A241-A301 WeakPolarHBondContact CA-O 3.43Å; V242-A301 PolarHBondContact N-O 3.28Å; A301-A362 WeakPolarHBondContact CA-O 3.27Å |
| 302 | V | 86.8 | Confident | 75.2 | Confident | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.012 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 124.6 | 177.5 | -174.8 | 0 | 0 | 0 | 0 | 109 | Q254 F256 V300 F316 A362 S364 | Q254-V302 VanDerWaalsContact OE1-CG1 3.22Å; F256-V302 HydrophobicContact CB-CG2 4.12Å; F256-V302 HydrophobicContact CD2-CG2 3.87Å; F256-V302 HydrophobicContact CE2-CG2 4.48Å; F256-V302 HydrophobicContact CG-CG2 3.94Å; V300-V302 HydrophobicContact CG1-CG2 3.88Å; V302-F316 HydrophobicContact CG2-CD2 3.93Å; V302-F316 HydrophobicContact CG2-CE2 4.14Å; V302-A362 PolarHBondContact N-O 3.12Å; V302-S364 PolarHBondContact O-N 3.24Å; V302-S364 PolarHBondContact O-OG 3.31Å |
| 303 | S | 88.5 | Confident | 76.5 | Confident | 48 Ų | 48 | 33 Ų | 33 | 34% | 0.336 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 135.6 | 179.5 | 60.5 | 0 | 0 | 0 | 0 | 111.2 | V242 S243 A244 Q254 S364 | V242-S303 PolarHBondContact O-N 2.9Å; V242-S303 PolarHBondContact O-OG 3.04Å; S243-S303 WeakPolarHBondContact CA-O 3.42Å; A244-S303 PolarHBondContact N-O 3.11Å; A244-S303 VanDerWaalsContact N-O 3.13Å; Q254-S303 PolarHBondContact NE2-O 3.19Å; S303-S364 WeakPolarHBondContact CA-O 3.26Å |
| 304 | A | 86.5 | Confident | 77.7 | Confident | 7 Ų | 7 | 32.7 Ų | 32.7 | 6% | 0.058 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 139.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A244 F252 Q254 F312 S364 A365 S366 | A244-A304 WeakPolarHBondContact O-CA 3.28Å; F252-A304 HydrophobicContact CE1-CB 3.37Å; F252-A304 HydrophobicContact CZ-CB 3.38Å; Q254-A304 HydrophobicContact CB-CB 4.47Å; Q254-A304 VanDerWaalsContact OE1-CB 3.25Å; A304-F312 HydrophobicContact CB-CE2 3.82Å; A304-F312 HydrophobicContact CB-CZ 3.5Å; A304-F312 VanDerWaalsContact CB-CZ 3.5Å; A304-S364 PolarHBondContact N-O 2.98Å; A304-S364 VanDerWaalsContact N-O 3.11Å; A304-A365 WeakPolarHBondContact O-CA 3.49Å; A304-S366 PolarHBondContact O-N 2.82Å; A304-S366 VanDerWaalsContact O-N 3.1Å |
| 305 | S | 85.2 | Confident | 79.2 | Confident | 38 Ų | 38 | 32.8 Ų | 32.8 | 27% | 0.266 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 126.2 | 178.2 | -172.9 | 0 | 0 | 0 | 0 | 111.8 | A244 S245 N246 P307 S366 | A244-S305 PolarHBondContact O-N 3.13Å; A244-S305 VanDerWaalsContact O-N 3.11Å; S245-S305 WeakPolarHBondContact CA-O 3.42Å; N246-S305 PolarHBondContact N-O 3.34Å; S305-P307 WeakPolarHBondContact OG-CD 3.48Å; S305-S366 WeakPolarHBondContact CA-O 3.11Å |
| 306 | N | 85 | Confident | 80.9 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -128.7 | 79.5 | 168.2 | -171.4 | 2.7 | 0 | 0 | 0 | 109.9 | N246 G249 F252 V308 G309 F312 S366 N367 | N246-N306 WeakPolarHBondContact O-CA 3.47Å; N246-N306 PolarHBondContact O-OD1 3.41Å; G249-N306 PolarHBondContact O-ND2 3.44Å; G249-N306 VanDerWaalsContact O-ND2 3.14Å; G249-N306 PolarHBondContact O-OD1 3.5Å; F252-N306 HydrophobicContact CB-CB 3.9Å; F252-N306 WeakPolarHBondContact CB-ND2 3.25Å; F252-N306 HydrophobicContact CD2-CB 4.19Å; F252-N306 HydrophobicContact CG-CB 4.1Å; N306-V308 PolarHBondContact O-N 2.72Å; N306-G309 WeakPolarHBondContact ND2-CA 3.44Å; N306-F312 HydrophobicContact CB-CD2 3.72Å; N306-F312 HydrophobicContact CB-CE2 4.31Å; N306-S366 PolarHBondContact N-O 3.28Å; N306-N367 WeakPolarHBondContact O-CA 2.96Å; N306-N367 PolarHBondContact O-OD1 3.25Å | ||
| 307 | P | 78.9 | Confident | 82.5 | Confident | 33 Ų | 33 | 28.7 Ų | 28.7 | 21% | 0.214 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.8 | -39.7 | 179.7 | -29.6 | 34.4 | 0 | 0 | 0 | 115.5 | S305 V369 | S305-P307 WeakPolarHBondContact OG-CD 3.48Å; P307-V369 WeakPolarHBondContact O-CG2 3.41Å; P307-V369 PolarHBondContact O-N 3.01Å |
| 308 | V | 72.6 | Confident | 83.4 | Confident | 78 Ų | 78 | 27.3 Ų | 27.3 | 47% | 0.473 | 18% | 0.179 | S | C | . | . | B | Isolated β-bridge | trans | -136.2 | 79 | -173 | -168.1 | 0 | 0 | 0 | 0 | 109.8 | P247 G249 N306 | P247-V308 WeakPolarHBondContact O-CB 3.41Å; P247-V308 PolarHBondContact O-N 2.83Å; G249-V308 PolarHBondContact N-O 3.45Å; G249-V308 VanDerWaalsContact N-O 3.13Å; N306-V308 PolarHBondContact O-N 2.72Å |
| 309 | G | 71.2 | Confident | 84 | Confident | 5 Ų | 5 | 27.8 Ų | 27.8 | 5% | 0.052 | 19% | 0.187 | C | C | . | . | trans | -154.4 | 137.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | G249 N306 T311 N367 G370 | G249-G309 WeakPolarHBondContact O-CA 3.42Å; N306-G309 WeakPolarHBondContact ND2-CA 3.44Å; G309-T311 PolarHBondContact O-N 2.89Å; G309-N367 PolarHBondContact O-ND2 3.19Å; G309-N367 VanDerWaalsContact O-ND2 3.12Å; G309-N367 PolarHBondContact O-OD1 3.42Å; G309-G370 WeakPolarHBondContact O-CA 3.34Å | ||
| 310 | S | 81.2 | Confident | 84.1 | Confident | 49 Ų | 49 | 25.2 Ų | 25.2 | 34% | 0.343 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -61.7 | -39 | -176.7 | 35.8 | 0 | 0 | 0 | 0 | 113.8 | S250 S371 T372 | S250-S310 WeakPolarHBondContact CA-OG 3.41Å; S250-S310 PolarHBondContact O-N 2.86Å; S250-S310 VanDerWaalsContact O-N 3.14Å; S250-S310 PolarHBondContact O-OG 3.25Å; S310-S371 WeakPolarHBondContact CA-OG 3.45Å; S310-S371 WeakPolarHBondContact CB-OG 3.4Å; S310-S371 PolarHBondContact O-N 2.95Å; S310-S371 VanDerWaalsContact O-N 3.11Å; S310-S371 PolarHBondContact O-OG 3.25Å; S310-T372 PolarHBondContact O-N 3.38Å |
| 311 | T | 84.7 | Confident | 84.1 | Confident | 39 Ų | 39 | 27.1 Ų | 27.1 | 24% | 0.239 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 128.7 | -174.2 | -49.6 | 0 | 0 | 0 | 0 | 111.1 | S250 F252 G309 | S250-T311 PolarHBondContact O-N 3.26Å; F252-T311 PolarHBondContact N-O 3.03Å; G309-T311 PolarHBondContact O-N 2.89Å |
| 312 | F | 88.9 | Confident | 83.6 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 124.7 | 176.3 | -179.6 | -79.2 | 0 | 0 | 0 | 110.6 | F252 A304 N306 Q314 A365 N367 T372 F373 N374 | F252-F312 HydrophobicContact CB-CD2 4.19Å; F252-F312 AromaticContact CD1-CD2 3.53Å; F252-F312 HydrophobicContact CD1-CD2 3.53Å; F252-F312 AromaticContact CD1-CE2 3.48Å; F252-F312 HydrophobicContact CD1-CE2 3.48Å; F252-F312 VanDerWaalsContact CD1-CE2 3.48Å; F252-F312 HydrophobicContact CD1-CG 4.28Å; F252-F312 HydrophobicContact CD1-CZ 4.16Å; F252-F312 HydrophobicContact CE1-CD2 4.15Å; F252-F312 AromaticContact CE1-CE2 3.6Å; F252-F312 HydrophobicContact CE1-CE2 3.6Å; F252-F312 HydrophobicContact CE1-CZ 4.02Å; F252-F312 AromaticContact CG-CD2 3.97Å; F252-F312 HydrophobicContact CG-CD2 3.97Å; F252-F312 HydrophobicContact CG-CE2 4.17Å; F252-F312 HydrophobicContact CZ-CE2 4.31Å; A304-F312 HydrophobicContact CB-CE2 3.82Å; A304-F312 HydrophobicContact CB-CZ 3.5Å; A304-F312 VanDerWaalsContact CB-CZ 3.5Å; N306-F312 HydrophobicContact CB-CD2 3.72Å; N306-F312 HydrophobicContact CB-CE2 4.31Å; F312-Q314 HydrophobicContact CE1-CB 3.68Å; F312-Q314 HydrophobicContact CZ-CB 4.16Å; F312-A365 HydrophobicContact CE1-CB 3.37Å; F312-A365 HydrophobicContact CZ-CB 3.39Å; F312-N367 HydrophobicContact CB-CB 3.92Å; F312-N367 VanDerWaalsContact CB-ND2 3.33Å; F312-N367 WeakPolarHBondContact CB-ND2 3.15Å; F312-N367 HydrophobicContact CD2-CB 4.19Å; F312-N367 HydrophobicContact CG-CB 4.1Å; F312-T372 PolarHBondContact N-O 3.31Å; F312-F373 HydrophobicContact CB-CD2 4.22Å; F312-F373 AromaticContact CD1-CD2 3.55Å; F312-F373 HydrophobicContact CD1-CD2 3.55Å; F312-F373 AromaticContact CD1-CE2 3.48Å; F312-F373 HydrophobicContact CD1-CE2 3.48Å; F312-F373 VanDerWaalsContact CD1-CE2 3.48Å; F312-F373 HydrophobicContact CD1-CG 4.29Å; F312-F373 HydrophobicContact CD1-CZ 4.14Å; F312-F373 HydrophobicContact CE1-CD2 4.16Å; F312-F373 AromaticContact CE1-CE2 3.58Å; F312-F373 HydrophobicContact CE1-CE2 3.58Å; F312-F373 AromaticContact CE1-CZ 3.99Å; F312-F373 HydrophobicContact CE1-CZ 3.99Å; F312-F373 HydrophobicContact CG-CD2 4.01Å; F312-F373 HydrophobicContact CG-CE2 4.19Å; F312-F373 HydrophobicContact CZ-CE2 4.31Å; F312-N374 PolarHBondContact O-N 3.48Å |
| 313 | N | 88.7 | Confident | 82.9 | Confident | 49 Ų | 49 | 27.4 Ų | 27.4 | 26% | 0.262 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 125.4 | 174.7 | -56.5 | -56.5 | 0 | 0 | 0 | 110.1 | F252 N253 Q254 N374 | F252-N313 PolarHBondContact O-N 3.14Å; N253-N313 WeakPolarHBondContact CA-O 3.33Å; N253-N313 WeakPolarHBondContact OD1-CB 3.49Å; N253-N313 PolarHBondContact OD1-ND2 3.33Å; Q254-N313 PolarHBondContact N-O 3.48Å; N313-N374 WeakPolarHBondContact CA-O 3.4Å; N313-N374 WeakPolarHBondContact OD1-CB 3.43Å; N313-N374 PolarHBondContact OD1-ND2 3.12Å |
| 314 | Q | 88.7 | Confident | 81.7 | Confident | 7 Ų | 7 | 26 Ų | 26 | 3% | 0.033 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 127.1 | 170.5 | -177.3 | -174.4 | 61.4 | 0 | 0 | 110.1 | Q254 F312 V363 S364 A365 N374 Q375 G376 | Q254-Q314 VanDerWaalsContact O-CA 3.31Å; Q254-Q314 WeakPolarHBondContact O-CA 3.36Å; F312-Q314 HydrophobicContact CE1-CB 3.68Å; F312-Q314 HydrophobicContact CZ-CB 4.16Å; Q314-V363 VanDerWaalsContact OE1-CG1 3.23Å; Q314-S364 PolarHBondContact NE2-O 3.46Å; Q314-A365 HydrophobicContact CB-CB 4.5Å; Q314-A365 VanDerWaalsContact OE1-CB 3.23Å; Q314-N374 PolarHBondContact N-O 2.81Å; Q314-Q375 CarbonylContact O-C 3.57Å; Q314-Q375 VanDerWaalsContact O-CA 3.31Å; Q314-Q375 WeakPolarHBondContact O-CA 3.46Å; Q314-G376 PolarHBondContact O-N 3.23Å |
| 315 | G | 85.8 | Confident | 80.4 | Confident | 29 Ų | 29 | 25.7 Ų | 25.7 | 30% | 0.299 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 136.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q254 F256 | Q254-G315 PolarHBondContact O-N 3.33Å; F256-G315 PolarHBondContact N-O 3.13Å |
| 316 | F | 89 | Confident | 79.7 | Confident | 2 Ų | 2 | 27.6 Ų | 27.6 | 1% | 0.009 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 122.5 | 169.6 | -178.1 | -81.9 | 0 | 0 | 0 | 109.5 | F256 V300 V302 V361 V363 G376 F377 T378 | F256-F316 HydrophobicContact CB-CD2 4.1Å; F256-F316 AromaticContact CD1-CD2 3.44Å; F256-F316 HydrophobicContact CD1-CD2 3.44Å; F256-F316 VanDerWaalsContact CD1-CD2 3.44Å; F256-F316 AromaticContact CD1-CE2 3.24Å; F256-F316 HydrophobicContact CD1-CE2 3.24Å; F256-F316 HydrophobicContact CD1-CG 4.3Å; F256-F316 AromaticContact CD1-CZ 3.96Å; F256-F316 HydrophobicContact CD1-CZ 3.96Å; F256-F316 HydrophobicContact CE1-CD2 4.15Å; F256-F316 AromaticContact CE1-CE2 3.46Å; F256-F316 HydrophobicContact CE1-CE2 3.46Å; F256-F316 VanDerWaalsContact CE1-CE2 3.46Å; F256-F316 AromaticContact CE1-CZ 3.89Å; F256-F316 HydrophobicContact CE1-CZ 3.89Å; F256-F316 AromaticContact CG-CD2 3.93Å; F256-F316 HydrophobicContact CG-CD2 3.93Å; F256-F316 HydrophobicContact CG-CE2 4.02Å; F256-F316 HydrophobicContact CZ-CE2 4.37Å; F256-F316 WeakPolarHBondContact O-CA 3.5Å; V300-F316 HydrophobicContact CB-CE2 4.28Å; V300-F316 HydrophobicContact CG1-CE2 3.64Å; V300-F316 HydrophobicContact CG1-CZ 4.29Å; V302-F316 HydrophobicContact CG2-CD2 3.93Å; V302-F316 HydrophobicContact CG2-CE2 4.14Å; F316-V361 HydrophobicContact CD2-CG1 4.44Å; F316-V361 HydrophobicContact CE1-CG1 3.91Å; F316-V361 HydrophobicContact CE2-CG1 3.77Å; F316-V361 HydrophobicContact CZ-CG1 3.48Å; F316-V361 VanDerWaalsContact CZ-CG1 3.48Å; F316-V361 HydrophobicContact CZ-CG2 4.34Å; F316-V363 HydrophobicContact CB-CG2 4.15Å; F316-V363 HydrophobicContact CD2-CG2 3.81Å; F316-V363 HydrophobicContact CE2-CG2 4.41Å; F316-V363 HydrophobicContact CG-CG2 3.94Å; F316-G376 PolarHBondContact N-O 3.49Å; F316-F377 HydrophobicContact CB-CD2 4.07Å; F316-F377 AromaticContact CD1-CD2 3.44Å; F316-F377 HydrophobicContact CD1-CD2 3.44Å; F316-F377 VanDerWaalsContact CD1-CD2 3.44Å; F316-F377 AromaticContact CD1-CE2 3.25Å; F316-F377 HydrophobicContact CD1-CE2 3.25Å; F316-F377 HydrophobicContact CD1-CG 4.27Å; F316-F377 AromaticContact CD1-CZ 3.96Å; F316-F377 HydrophobicContact CD1-CZ 3.96Å; F316-F377 HydrophobicContact CE1-CD2 4.16Å; F316-F377 AromaticContact CE1-CE2 3.48Å; F316-F377 HydrophobicContact CE1-CE2 3.48Å; F316-F377 VanDerWaalsContact CE1-CE2 3.48Å; F316-F377 AromaticContact CE1-CZ 3.89Å; F316-F377 HydrophobicContact CE1-CZ 3.89Å; F316-F377 AromaticContact CG-CD2 3.9Å; F316-F377 HydrophobicContact CG-CD2 3.9Å; F316-F377 AromaticContact CG-CE2 4Å; F316-F377 HydrophobicContact CG-CE2 4Å; F316-F377 HydrophobicContact CZ-CE2 4.35Å; F316-F377 WeakPolarHBondContact O-CA 3.32Å; F316-T378 PolarHBondContact O-N 3.43Å |
| 317 | T | 88.2 | Confident | 79 | Confident | 58 Ų | 58 | 27.9 Ų | 27.9 | 36% | 0.356 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 126.6 | 176.2 | -55.5 | 0 | 0 | 0 | 0 | 109.9 | F256 T257 Y258 T378 | F256-T317 PolarHBondContact O-N 3.2Å; T257-T317 WeakPolarHBondContact CA-O 3.46Å; Y258-T317 PolarHBondContact N-O 3.32Å; T317-T378 WeakPolarHBondContact CA-O 3.32Å |
| 318 | Y | 84.5 | Confident | 78.9 | Confident | 12 Ų | 12 | 27.9 Ų | 27.9 | 5% | 0.047 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 118.8 | 165.4 | 178.6 | -84.9 | 0 | 0 | 0 | 107.8 | Y258 L298 V320 T378 Y379 G380 | Y258-Y318 AromaticContact CD1-CD2 3.33Å; Y258-Y318 HydrophobicContact CD1-CD2 3.33Å; Y258-Y318 AromaticContact CD1-CE2 3.23Å; Y258-Y318 HydrophobicContact CD1-CE2 3.23Å; Y258-Y318 HydrophobicContact CD1-CG 4.22Å; Y258-Y318 AromaticContact CE1-CD2 3.95Å; Y258-Y318 HydrophobicContact CE1-CD2 3.95Å; Y258-Y318 AromaticContact CE1-CE2 3.32Å; Y258-Y318 HydrophobicContact CE1-CE2 3.32Å; Y258-Y318 AromaticContact CE1-CZ 3.92Å; Y258-Y318 AromaticContact CG-CD2 3.87Å; Y258-Y318 HydrophobicContact CG-CD2 3.87Å; Y258-Y318 HydrophobicContact CG-CE2 4.05Å; L298-Y318 HydrophobicContact CD2-CD2 3.93Å; L298-Y318 HydrophobicContact CD2-CE2 3.42Å; L298-Y318 VanDerWaalsContact CD2-CE2 3.42Å; Y318-V320 HydrophobicContact CE1-CG2 3.88Å; Y318-T378 PolarHBondContact N-O 3.13Å; Y318-Y379 AromaticContact CD1-CD2 3.37Å; Y318-Y379 HydrophobicContact CD1-CD2 3.37Å; Y318-Y379 AromaticContact CD1-CE2 3.29Å; Y318-Y379 HydrophobicContact CD1-CE2 3.29Å; Y318-Y379 HydrophobicContact CD1-CG 4.19Å; Y318-Y379 AromaticContact CE1-CD2 3.97Å; Y318-Y379 HydrophobicContact CE1-CD2 3.97Å; Y318-Y379 AromaticContact CE1-CE2 3.36Å; Y318-Y379 HydrophobicContact CE1-CE2 3.36Å; Y318-Y379 AromaticContact CE1-CZ 3.87Å; Y318-Y379 AromaticContact CG-CD2 3.94Å; Y318-Y379 HydrophobicContact CG-CD2 3.94Å; Y318-Y379 HydrophobicContact CG-CE2 4.14Å; Y318-Y379 WeakPolarHBondContact O-CA 3.46Å; Y318-G380 PolarHBondContact O-N 2.91Å |
| 319 | G | 84.3 | Confident | 79 | Confident | 19 Ų | 19 | 24.3 Ų | 24.3 | 20% | 0.196 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 132.6 | 178 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y258 G259 V260 G380 | Y258-G319 PolarHBondContact O-N 2.95Å; G259-G319 WeakPolarHBondContact CA-O 3.04Å; V260-G319 PolarHBondContact N-O 3.32Å; V260-G319 VanDerWaalsContact N-O 3.09Å; G319-G380 WeakPolarHBondContact CA-O 3.37Å |
| 320 | V | 80.3 | Confident | 79.5 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 125 | 161 | 179.3 | 0 | 0 | 0 | 0 | 105.8 | V260 F291 Y318 F352 G380 V381 T382 | V260-V320 HydrophobicContact CB-CG1 4.5Å; V260-V320 HydrophobicContact CB-CG2 4.44Å; V260-V320 WeakPolarHBondContact O-CA 3.43Å; F291-V320 HydrophobicContact CZ-CG1 4.47Å; Y318-V320 HydrophobicContact CE1-CG2 3.88Å; V320-F352 HydrophobicContact CG1-CE2 4.19Å; V320-F352 HydrophobicContact CG1-CZ 4.44Å; V320-G380 PolarHBondContact N-O 2.69Å; V320-G380 VanDerWaalsContact N-O 3.13Å; V320-V381 HydrophobicContact CB-CG2 4.43Å; V320-V381 WeakPolarHBondContact O-CA 3.45Å; V320-T382 PolarHBondContact O-N 3.4Å |
| 321 | T | 81.4 | Confident | 79.4 | Confident | 46 Ų | 46 | 24.8 Ų | 24.8 | 28% | 0.282 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 121.8 | 177.1 | -60 | 0 | 0 | 0 | 0 | 106.9 | V260 T261 D262 T382 | V260-T321 PolarHBondContact O-N 2.98Å; T261-T321 WeakPolarHBondContact CA-O 3.41Å; D262-T321 PolarHBondContact N-O 3.37Å; T321-T382 WeakPolarHBondContact CA-O 3.37Å |
| 322 | D | 75 | Confident | 79.4 | Confident | 7 Ų | 7 | 25.9 Ų | 25.9 | 4% | 0.037 | 16% | 0.163 | C | C | . | . | trans | -105.8 | 136.4 | 163.6 | -168.2 | 7.2 | 0 | 0 | 0 | 107 | F291 F352 T382 T384 | F291-D322 WeakPolarHBondContact CB-OD2 3.47Å; F291-D322 HydrophobicContact CD2-CB 4.29Å; F291-D322 WeakPolarHBondContact CD2-OD2 3.45Å; F291-D322 HydrophobicContact CE2-CB 4.43Å; F291-D322 WeakPolarHBondContact CG-OD2 3.43Å; D322-F352 HydrophobicContact CB-CD2 3.71Å; D322-F352 HydrophobicContact CB-CE2 4.12Å; D322-T382 PolarHBondContact N-O 3.09Å; D322-T384 PolarHBondContact O-N 3.14Å | ||
| 323 | T | 71.9 | Confident | 79.1 | Confident | 49 Ų | 49 | 26.1 Ų | 26.1 | 30% | 0.301 | 16% | 0.164 | S | C | . | . | trans | -139.3 | 101.6 | 179 | -57.2 | 0 | 0 | 0 | 0 | 105.6 | D262 A264 | D262-T323 PolarHBondContact O-N 2.81Å; A264-T323 WeakPolarHBondContact CB-O 3.47Å; A264-T323 PolarHBondContact N-O 3.06Å | ||
| 324 | A | 63.1 | Low | 78.9 | Confident | 18 Ų | 18 | 26 Ų | 26 | 15% | 0.149 | 17% | 0.166 | C | C | . | . | P | Polyproline II helix | trans | -73.9 | 166.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | T384 P386 | A324-T384 WeakPolarHBondContact CB-O 3.35Å; A324-T384 PolarHBondContact N-O 3.11Å; A324-P386 HydrophobicContact CB-CB 3.94Å; A324-P386 HydrophobicContact CB-CG 3.57Å |
| 325 | P | 60.8 | Low | 78.3 | Confident | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | P | Polyproline II helix | trans | -98 | 129.9 | -167.9 | 30.7 | -25.7 | 0 | 0 | 0 | 115.8 | A264 P265 D289 V327 P386 | A264-P325 HydrophobicContact CB-CB 3.91Å; A264-P325 HydrophobicContact CB-CG 3.68Å; P265-P325 WeakPolarHBondContact O-CB 3.41Å; D289-P325 WeakPolarHBondContact OD2-CD 3.5Å; D289-P325 WeakPolarHBondContact OD2-CG 2.92Å; P325-V327 VanDerWaalsContact O-CG2 3.24Å; P325-V327 WeakPolarHBondContact O-CG2 2.93Å; P325-V327 PolarHBondContact O-N 3.01Å; P325-V327 VanDerWaalsContact O-N 3.14Å; P325-P386 WeakPolarHBondContact O-CB 3.07Å; P325-P386 WeakPolarHBondContact O-CG 2.9Å |
| 326 | D | 69.4 | Low | 77.7 | Confident | 79 Ų | 79 | 26.4 Ų | 26.4 | 42% | 0.422 | 16% | 0.164 | S | C | . | . | P | Polyproline II helix | trans | -57.1 | 123.6 | 178.1 | -78.3 | -11.9 | 0 | 0 | 0 | 110.4 | D266 V267 D387 | D266-D326 PolarHBondContact OD1-N 2.79Å; D266-D326 VanDerWaalsContact OD1-N 3.13Å; V267-D326 PolarHBondContact N-O 3.02Å; D326-D387 PolarHBondContact OD1-N 2.98Å |
| 327 | V | 69.9 | Low | 76.7 | Confident | 6 Ų | 6 | 29 Ų | 29 | 4% | 0.036 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 109.9 | -176.5 | -175.2 | 0 | 0 | 0 | 0 | 109.4 | T287 P325 T329 T347 T349 D387 V388 S389 | T287-V327 HydrophobicContact CG2-CG1 4.43Å; P325-V327 VanDerWaalsContact O-CG2 3.24Å; P325-V327 WeakPolarHBondContact O-CG2 2.93Å; P325-V327 PolarHBondContact O-N 3.01Å; P325-V327 VanDerWaalsContact O-N 3.14Å; V327-T329 HydrophobicContact CG1-CG2 4.2Å; V327-T347 HydrophobicContact CG1-CG2 4.47Å; V327-T349 HydrophobicContact CG2-CG2 4.07Å; V327-D387 PolarHBondContact N-O 2.94Å; V327-V388 HydrophobicContact CB-CG1 4.46Å; V327-V388 HydrophobicContact CB-CG2 4.49Å; V327-S389 PolarHBondContact O-N 2.9Å |
| 328 | S | 78.1 | Confident | 75.8 | Confident | 33 Ų | 33 | 26.4 Ų | 26.4 | 23% | 0.231 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 122.5 | 172.9 | 65.7 | 0 | 0 | 0 | 0 | 112 | V267 S268 T269 S389 | V267-S328 PolarHBondContact O-N 2.83Å; V267-S328 PolarHBondContact O-OG 3.03Å; S268-S328 WeakPolarHBondContact CA-OG 3.44Å; S268-S328 WeakPolarHBondContact CB-OG 3.37Å; T269-S328 PolarHBondContact N-O 2.9Å; T269-S328 PolarHBondContact OG1-O 2.86Å; S328-S389 WeakPolarHBondContact CA-O 3.45Å; S328-S389 WeakPolarHBondContact CA-OG 3.49Å; S328-S389 WeakPolarHBondContact CB-OG 3.4Å |
| 329 | T | 74.7 | Confident | 75.2 | Confident | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.012 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 109.8 | 174.6 | 68.1 | 0 | 0 | 0 | 0 | 109.9 | T269 V327 T347 S389 T390 N391 | T269-T329 WeakPolarHBondContact OG1-CA 3.45Å; T269-T329 WeakPolarHBondContact OG1-CB 3.5Å; T269-T329 VanDerWaalsContact OG1-CG2 3.3Å; T269-T329 WeakPolarHBondContact OG1-CG2 3.44Å; V327-T329 HydrophobicContact CG1-CG2 4.2Å; T329-T347 HydrophobicContact CG2-CG2 3.87Å; T329-S389 PolarHBondContact N-O 3.43Å; T329-T390 WeakPolarHBondContact OG1-CA 3.47Å; T329-T390 WeakPolarHBondContact OG1-CB 3.33Å; T329-T390 VanDerWaalsContact OG1-CG2 3.3Å; T329-T390 WeakPolarHBondContact OG1-CG2 3.45Å; T329-N391 PolarHBondContact O-N 3.21Å |
| 330 | N | 81.4 | Confident | 74.9 | Confident | 53 Ų | 53 | 30.4 Ų | 30.4 | 28% | 0.283 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 115.9 | 179.5 | -57.7 | -58.3 | 0 | 0 | 0 | 110.1 | T269 N270 S271 N391 | T269-N330 PolarHBondContact O-N 2.87Å; N270-N330 CarbonylContact C-O 3.6Å; N270-N330 WeakPolarHBondContact CA-O 3.43Å; N270-N330 WeakPolarHBondContact OD1-CB 3.48Å; N270-N330 PolarHBondContact OD1-ND2 2.76Å; S271-N330 PolarHBondContact N-O 3.11Å; N330-N391 CarbonylContact C-O 3.6Å; N330-N391 WeakPolarHBondContact CA-O 3.4Å; N330-N391 WeakPolarHBondContact OD1-CB 3.44Å; N330-N391 PolarHBondContact OD1-ND2 2.84Å |
| 331 | S | 79.3 | Confident | 74.9 | Confident | 12 Ų | 12 | 30.5 Ų | 30.5 | 8% | 0.084 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 122.5 | -178.7 | -70.4 | 0 | 0 | 0 | 0 | 111.6 | S271 N391 S392 T393 | S271-S331 CarbonylContact O-C 3.44Å; S271-S331 WeakPolarHBondContact O-CA 3.46Å; S331-N391 PolarHBondContact N-O 3.09Å; S331-S392 CarbonylContact O-C 3.56Å; S331-S392 WeakPolarHBondContact O-CA 3.41Å; S331-T393 PolarHBondContact O-N 2.9Å |
| 332 | T | 85.1 | Confident | 74.9 | Confident | 62 Ų | 62 | 30.7 Ų | 30.7 | 38% | 0.38 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 112.1 | 168.9 | -59 | 0 | 0 | 0 | 0 | 109.3 | S271 T272 I273 T393 | S271-T332 PolarHBondContact O-N 3.21Å; T272-T332 CarbonylContact C-O 3.57Å; T272-T332 WeakPolarHBondContact CA-O 3.34Å; I273-T332 PolarHBondContact N-O 3.26Å; T332-T393 CarbonylContact C-O 3.53Å; T332-T393 WeakPolarHBondContact CA-O 3.31Å |
| 333 | I | 82.1 | Confident | 74.9 | Confident | 5 Ų | 5 | 30.6 Ų | 30.6 | 3% | 0.026 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 121.6 | -176 | -55.6 | 176.5 | 0 | 0 | 0 | 109.6 | I273 F281 T283 F341 T343 T393 I394 T395 | I273-I333 HydrophobicContact CB-CG1 4.48Å; I273-I333 HydrophobicContact CD1-CG1 4.33Å; I273-I333 CarbonylContact O-C 3.59Å; I273-I333 WeakPolarHBondContact O-CA 3.29Å; F281-I333 HydrophobicContact CE1-CG2 3.66Å; F281-I333 HydrophobicContact CE2-CG2 4.49Å; F281-I333 HydrophobicContact CZ-CG2 3.48Å; F281-I333 VanDerWaalsContact CZ-CG2 3.48Å; T283-I333 HydrophobicContact CG2-CD1 4.42Å; I333-F341 HydrophobicContact CG2-CE2 3.94Å; I333-F341 HydrophobicContact CG2-CZ 3.91Å; I333-T343 HydrophobicContact CD1-CG2 4.09Å; I333-T393 PolarHBondContact N-O 3.48Å; I333-I394 HydrophobicContact CB-CG1 4.39Å; I333-I394 HydrophobicContact CD1-CG1 4.4Å; I333-I394 CarbonylContact O-C 3.54Å; I333-I394 WeakPolarHBondContact O-CA 3.34Å; I333-T395 PolarHBondContact O-N 2.87Å |
| 334 | T | 83.3 | Confident | 75.1 | Confident | 47 Ų | 47 | 30.2 Ų | 30.2 | 29% | 0.288 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 118.1 | 173.3 | -57.4 | 0 | 0 | 0 | 0 | 110.3 | I273 T274 A275 T395 | I273-T334 PolarHBondContact O-N 3.4Å; T274-T334 CarbonylContact C-O 3.54Å; T274-T334 WeakPolarHBondContact CA-O 3.43Å; A275-T334 PolarHBondContact N-O 2.92Å; T334-T395 CarbonylContact C-O 3.58Å; T334-T395 WeakPolarHBondContact CA-O 3.45Å |
| 335 | A | 77.5 | Confident | 75.3 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.008 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 127.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.3 | A275 F341 T395 A396 S397 | A275-A335 WeakPolarHBondContact O-CA 3.44Å; A335-F341 HydrophobicContact CB-CD2 3.93Å; A335-F341 HydrophobicContact CB-CE2 3.86Å; A335-T395 PolarHBondContact N-O 2.88Å; A335-A396 VanDerWaalsContact O-CA 3.32Å; A335-A396 WeakPolarHBondContact O-CA 3.44Å; A335-S397 PolarHBondContact O-N 2.87Å |
| 336 | S | 73.3 | Confident | 75.6 | Confident | 42 Ų | 42 | 31.4 Ų | 31.4 | 29% | 0.294 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 127.9 | -179.9 | -47.2 | 0 | 0 | 0 | 0 | 111 | A275 A277 S397 | A275-S336 PolarHBondContact O-N 3.31Å; A277-S336 WeakPolarHBondContact CA-O 3.49Å; A277-S336 PolarHBondContact N-O 2.93Å; S336-S397 WeakPolarHBondContact CA-OG 3.44Å |
| 337 | A | 68.2 | Low | 75.4 | Confident | 58 Ų | 58 | 27.8 Ų | 27.8 | 48% | 0.479 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 58 | 76.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | T278 S397 | T278-A337 PolarHBondContact N-O 2.86Å; T278-A337 VanDerWaalsContact N-O 3.15Å; A337-S397 WeakPolarHBondContact CA-O 3.31Å; A337-S397 PolarHBondContact N-O 3.41Å |
| 338 | T | 67.4 | Low | 75 | Confident | 3 Ų | 3 | 29.3 Ų | 29.3 | 2% | 0.018 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 130.4 | -172.2 | -46.9 | 0 | 0 | 0 | 0 | 114.1 | T278 F281 N340 A398 T399 T400 | T278-T338 WeakPolarHBondContact O-CA 3.49Å; T278-T338 VanDerWaalsContact O-CB 3.3Å; T278-T338 WeakPolarHBondContact O-CB 3.37Å; T278-T338 WeakPolarHBondContact O-CG2 3.45Å; F281-T338 HydrophobicContact CB-CG2 4.15Å; T338-N340 WeakPolarHBondContact CG2-O 3.48Å; T338-A398 PolarHBondContact N-O 3.31Å; T338-T399 WeakPolarHBondContact O-CA 3.47Å; T338-T399 WeakPolarHBondContact O-CB 3.44Å; T338-T399 WeakPolarHBondContact O-CG2 3.42Å; T338-T400 PolarHBondContact O-N 2.93Å |
| 339 | T | 72 | Confident | 74.1 | Confident | 58 Ų | 58 | 28.5 Ų | 28.5 | 36% | 0.356 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | -48.8 | 178.5 | 46.3 | 0 | 0 | 0 | 0 | 112.9 | T279 T400 N401 | T279-T339 VanDerWaalsContact C-OG1 3.3Å; T279-T339 WeakPolarHBondContact CA-OG1 3.41Å; T279-T339 WeakPolarHBondContact CB-OG1 3.44Å; T279-T339 PolarHBondContact O-N 2.92Å; T279-T339 VanDerWaalsContact O-N 3.11Å; T279-T339 PolarHBondContact O-OG1 2.91Å; T339-T400 VanDerWaalsContact C-OG1 3.28Å; T339-T400 WeakPolarHBondContact CA-OG1 3.42Å; T339-T400 PolarHBondContact O-N 3.33Å; T339-T400 VanDerWaalsContact O-N 3.13Å; T339-T400 PolarHBondContact O-OG1 3.33Å; T339-N401 PolarHBondContact O-N 3.4Å |
| 340 | N | 78.8 | Confident | 73.3 | Confident | 57 Ų | 57 | 29.9 Ų | 29.9 | 31% | 0.305 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 126.2 | 179.6 | -55 | -57.3 | 0 | 0 | 0 | 110.6 | T279 N280 F281 T338 N401 | T279-N340 PolarHBondContact O-N 3.01Å; N280-N340 WeakPolarHBondContact CA-O 3.24Å; N280-N340 WeakPolarHBondContact OD1-CB 3.39Å; N280-N340 PolarHBondContact OD1-ND2 2.89Å; F281-N340 PolarHBondContact N-O 3.39Å; T338-N340 WeakPolarHBondContact CG2-O 3.48Å; N340-N401 WeakPolarHBondContact CA-O 3.4Å; N340-N401 PolarHBondContact OD1-ND2 2.75Å |
| 341 | F | 80.8 | Confident | 72.4 | Confident | 1 Ų | 1 | 27.8 Ų | 27.8 | 0% | 0.004 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 125.2 | 177 | -176.6 | -80.8 | 0 | 0 | 0 | 109.8 | F281 I333 A335 T343 I394 T399 N401 F402 T403 T404 | F281-F341 HydrophobicContact CB-CD2 4.16Å; F281-F341 AromaticContact CD1-CD2 3.51Å; F281-F341 HydrophobicContact CD1-CD2 3.51Å; F281-F341 AromaticContact CD1-CE2 3.27Å; F281-F341 HydrophobicContact CD1-CE2 3.27Å; F281-F341 HydrophobicContact CD1-CG 4.28Å; F281-F341 AromaticContact CD1-CZ 3.86Å; F281-F341 HydrophobicContact CD1-CZ 3.86Å; F281-F341 HydrophobicContact CE1-CD2 4.13Å; F281-F341 AromaticContact CE1-CE2 3.39Å; F281-F341 HydrophobicContact CE1-CE2 3.39Å; F281-F341 AromaticContact CE1-CZ 3.72Å; F281-F341 HydrophobicContact CE1-CZ 3.72Å; F281-F341 HydrophobicContact CG-CD2 4.02Å; F281-F341 HydrophobicContact CG-CE2 4.07Å; F281-F341 HydrophobicContact CZ-CE2 4.3Å; I333-F341 HydrophobicContact CG2-CE2 3.94Å; I333-F341 HydrophobicContact CG2-CZ 3.91Å; A335-F341 HydrophobicContact CB-CD2 3.93Å; A335-F341 HydrophobicContact CB-CE2 3.86Å; F341-T343 WeakPolarHBondContact CE1-OG1 3.13Å; F341-T343 WeakPolarHBondContact CZ-OG1 3.3Å; F341-I394 HydrophobicContact CE1-CG2 3.84Å; F341-I394 HydrophobicContact CE2-CG2 4.33Å; F341-I394 HydrophobicContact CZ-CG2 3.5Å; F341-I394 VanDerWaalsContact CZ-CG2 3.5Å; F341-T399 HydrophobicContact CB-CG2 4.05Å; F341-N401 PolarHBondContact N-O 2.93Å; F341-F402 HydrophobicContact CB-CD2 3.86Å; F341-F402 HydrophobicContact CB-CE2 4.41Å; F341-F402 AromaticContact CD1-CD2 3.46Å; F341-F402 HydrophobicContact CD1-CD2 3.46Å; F341-F402 VanDerWaalsContact CD1-CD2 3.46Å; F341-F402 AromaticContact CD1-CE2 3.22Å; F341-F402 HydrophobicContact CD1-CE2 3.22Å; F341-F402 HydrophobicContact CD1-CG 4.28Å; F341-F402 AromaticContact CD1-CZ 3.88Å; F341-F402 HydrophobicContact CD1-CZ 3.88Å; F341-F402 HydrophobicContact CD2-CE2 4.47Å; F341-F402 HydrophobicContact CE1-CD2 4.19Å; F341-F402 AromaticContact CE1-CE2 3.46Å; F341-F402 HydrophobicContact CE1-CE2 3.46Å; F341-F402 VanDerWaalsContact CE1-CE2 3.46Å; F341-F402 AromaticContact CE1-CZ 3.82Å; F341-F402 HydrophobicContact CE1-CZ 3.82Å; F341-F402 AromaticContact CG-CD2 3.76Å; F341-F402 HydrophobicContact CG-CD2 3.76Å; F341-F402 AromaticContact CG-CE2 3.79Å; F341-F402 HydrophobicContact CG-CE2 3.79Å; F341-F402 HydrophobicContact CZ-CE2 4.19Å; F341-T403 PolarHBondContact O-N 3.12Å; F341-T404 HydrophobicContact CE1-CG2 4.16Å |
| 342 | T | 80.2 | Confident | 72 | Confident | 50 Ų | 50 | 27.2 Ų | 27.2 | 31% | 0.307 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 134.8 | 176.8 | -55.5 | 0 | 0 | 0 | 0 | 110.2 | F281 T282 T283 T403 | F281-T342 PolarHBondContact O-N 3.13Å; F281-T342 VanDerWaalsContact O-O 3.08Å; T282-T342 VanDerWaalsContact CA-O 3.3Å; T282-T342 WeakPolarHBondContact CA-O 3.26Å; T283-T342 PolarHBondContact N-O 3.21Å; T342-T403 VanDerWaalsContact CA-O 3.28Å; T342-T403 WeakPolarHBondContact CA-O 3.48Å |
| 343 | T | 76.3 | Confident | 71.2 | Confident | 5 Ų | 5 | 26.7 Ų | 26.7 | 3% | 0.031 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 132.4 | 176.5 | -67.9 | 0 | 0 | 0 | 0 | 109.4 | T283 I333 F341 I394 T403 T405 | T283-T343 WeakPolarHBondContact OG1-CA 3.4Å; T283-T343 WeakPolarHBondContact OG1-CB 3.49Å; T283-T343 WeakPolarHBondContact OG1-CG2 3.3Å; T283-T343 PolarHBondContact OG1-OG1 2.89Å; I333-T343 HydrophobicContact CD1-CG2 4.09Å; F341-T343 WeakPolarHBondContact CE1-OG1 3.13Å; F341-T343 WeakPolarHBondContact CZ-OG1 3.3Å; T343-I394 HydrophobicContact CG2-CD1 4.32Å; T343-T403 PolarHBondContact N-O 3.32Å; T343-T405 PolarHBondContact O-N 2.62Å |
| 344 | T | 76 | Confident | 70.7 | Confident | 42 Ų | 42 | 26.9 Ų | 26.9 | 26% | 0.258 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 123.1 | 177.6 | -54.9 | 0 | 0 | 0 | 0 | 110.5 | T283 T284 T285 T405 | T283-T344 PolarHBondContact O-N 2.8Å; T284-T344 VanDerWaalsContact CA-O 3.25Å; T284-T344 WeakPolarHBondContact CA-O 3.39Å; T285-T344 PolarHBondContact N-O 2.89Å; T344-T405 CarbonylContact C-O 3.55Å; T344-T405 WeakPolarHBondContact CA-O 3.47Å |
| 345 | T | 65.7 | Low | 69.5 | Low | 5 Ų | 5 | 26.2 Ų | 26.2 | 3% | 0.031 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 127.5 | 172.6 | -56 | 0 | 0 | 0 | 0 | 108.5 | T405 T406 T407 | T345-T405 PolarHBondContact N-O 3.2Å; T345-T406 CarbonylContact O-C 3.6Å; T345-T407 PolarHBondContact O-N 3.36Å |
| 346 | T | 68.5 | Low | 68.6 | Low | 38 Ų | 38 | 33.2 Ų | 33.2 | 23% | 0.233 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 118.7 | 176.4 | -53.9 | 0 | 0 | 0 | 0 | 109.8 | T285 T286 T348 T407 | T285-T346 PolarHBondContact O-N 2.83Å; T285-T346 VanDerWaalsContact O-O 3.09Å; T286-T346 VanDerWaalsContact CA-O 3.26Å; T286-T346 WeakPolarHBondContact CA-O 3.48Å; T346-T348 HydrophobicContact CG2-CG2 4.03Å; T346-T407 CarbonylContact C-O 3.57Å; T346-T407 WeakPolarHBondContact CA-O 3.45Å |
| 347 | T | 64.1 | Low | 67.7 | Low | 3 Ų | 3 | 32.6 Ų | 32.6 | 2% | 0.018 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 125.9 | 170.5 | 44.1 | 0 | 0 | 0 | 0 | 108.2 | V327 T329 T390 T407 T408 T409 | V327-T347 HydrophobicContact CG1-CG2 4.47Å; T329-T347 HydrophobicContact CG2-CG2 3.87Å; T347-T390 HydrophobicContact CG2-CG2 4.09Å; T347-T407 PolarHBondContact N-O 3Å; T347-T408 CarbonylContact O-C 3.25Å; T347-T408 WeakPolarHBondContact O-CA 3.43Å; T347-T408 WeakPolarHBondContact OG1-CA 3.33Å; T347-T408 WeakPolarHBondContact OG1-CB 3.25Å; T347-T408 VanDerWaalsContact OG1-CG2 3.29Å; T347-T408 WeakPolarHBondContact OG1-CG2 3.26Å; T347-T408 PolarHBondContact OG1-OG1 3.39Å; T347-T409 PolarHBondContact O-N 3.13Å; T347-T409 PolarHBondContact O-OG1 3.27Å |
| 348 | T | 61.5 | Low | 67.7 | Low | 39 Ų | 39 | 31.4 Ų | 31.4 | 24% | 0.239 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 120.3 | 175 | 57.5 | 0 | 0 | 0 | 0 | 108.8 | T287 T288 T346 T409 | T287-T348 CarbonylContact C-O 3.59Å; T287-T348 PolarHBondContact O-N 3.27Å; T287-T348 PolarHBondContact O-OG1 3.29Å; T288-T348 VanDerWaalsContact CA-O 3.31Å; T288-T348 WeakPolarHBondContact CA-O 2.99Å; T288-T348 WeakPolarHBondContact CG2-OG1 3.42Å; T346-T348 HydrophobicContact CG2-CG2 4.03Å; T348-T409 WeakPolarHBondContact CA-O 3.33Å; T348-T409 WeakPolarHBondContact CG2-OG1 3.36Å |
| 349 | T | 59.4 | Low | 68 | Low | 16 Ų | 16 | 31.5 Ų | 31.5 | 10% | 0.098 | 18% | 0.18 | C | C | . | . | trans | -104.4 | 147.4 | 168.3 | 43.4 | 0 | 0 | 0 | 0 | 108.8 | V327 P386 V388 T409 T410 | V327-T349 HydrophobicContact CG2-CG2 4.07Å; T349-P386 HydrophobicContact CG2-CG 3.86Å; T349-V388 HydrophobicContact CG2-CG2 4.24Å; T349-T409 PolarHBondContact N-O 3.41Å; T349-T410 WeakPolarHBondContact OG1-CA 3.35Å; T349-T410 VanDerWaalsContact OG1-CG2 3.28Å; T349-T410 WeakPolarHBondContact OG1-CG2 2.93Å | ||
| 350 | D | 58.2 | Low | 68.5 | Low | 30 Ų | 30 | 31.2 Ų | 31.2 | 16% | 0.16 | 18% | 0.176 | C | C | . | . | trans | -91.6 | 176.7 | 174.3 | 75.3 | 99.9 | 0 | 0 | 0 | 112 | D289 G290 F291 | D289-D350 WeakPolarHBondContact CA-OD2 3.38Å; D289-D350 WeakPolarHBondContact CB-OD2 3.35Å; D289-D350 VanDerWaalsContact CG-OD2 3.3Å; D289-D350 WeakPolarHBondContact O-CB 3.36Å; G290-D350 VanDerWaalsContact C-OD1 3.28Å; G290-D350 WeakPolarHBondContact CA-OD1 3.48Å; G290-D350 VanDerWaalsContact CA-OD2 3.26Å; G290-D350 WeakPolarHBondContact CA-OD2 3.43Å; G290-D350 PolarHBondContact N-OD2 3.24Å; F291-D350 PolarHBondContact N-OD1 3.35Å | ||
| 351 | G | 61.7 | Low | 68.8 | Low | 9 Ų | 9 | 28.8 Ų | 28.8 | 9% | 0.093 | 16% | 0.164 | C | C | . | . | trans | -131.4 | 154.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | N353 D411 | G351-N353 PolarHBondContact O-N 2.7Å; G351-N353 VanDerWaalsContact O-N 3.17Å; G351-D411 VanDerWaalsContact CA-OD2 3.26Å; G351-D411 WeakPolarHBondContact CA-OD2 3.4Å; G351-D411 VanDerWaalsContact N-CB 3.27Å; G351-D411 PolarHBondContact N-OD2 3.24Å | ||
| 352 | F | 70.9 | Confident | 69.1 | Low | 1 Ų | 1 | 31 Ų | 31 | 0% | 0.004 | 18% | 0.183 | C | C | . | . | trans | -62.2 | 113.4 | -176.7 | 177.2 | -90.1 | 0 | 0 | 0 | 112.3 | F291 V320 D322 Q354 V381 D383 F413 N414 | F291-F352 AromaticContact CD1-CD2 3.51Å; F291-F352 HydrophobicContact CD1-CD2 3.51Å; F291-F352 AromaticContact CD1-CE2 3.94Å; F291-F352 HydrophobicContact CD1-CE2 3.94Å; F291-F352 HydrophobicContact CD1-CG 4.13Å; F291-F352 AromaticContact CE1-CD2 3.49Å; F291-F352 HydrophobicContact CE1-CD2 3.49Å; F291-F352 VanDerWaalsContact CE1-CD2 3.49Å; F291-F352 AromaticContact CE1-CE2 3.38Å; F291-F352 HydrophobicContact CE1-CE2 3.38Å; F291-F352 HydrophobicContact CE1-CG 4.34Å; F291-F352 HydrophobicContact CE1-CZ 4.16Å; F291-F352 HydrophobicContact CG-CD2 4.3Å; F291-F352 HydrophobicContact CZ-CD2 4.26Å; F291-F352 AromaticContact CZ-CE2 3.91Å; F291-F352 HydrophobicContact CZ-CE2 3.91Å; V320-F352 HydrophobicContact CG1-CE2 4.19Å; V320-F352 HydrophobicContact CG1-CZ 4.44Å; D322-F352 HydrophobicContact CB-CD2 3.71Å; D322-F352 HydrophobicContact CB-CE2 4.12Å; F352-Q354 HydrophobicContact CD1-CB 4.42Å; F352-Q354 HydrophobicContact CE1-CB 3.58Å; F352-Q354 HydrophobicContact CZ-CB 3.91Å; F352-V381 HydrophobicContact CE1-CG1 4.12Å; F352-V381 HydrophobicContact CE2-CG1 4.32Å; F352-V381 HydrophobicContact CZ-CG1 3.62Å; F352-D383 HydrophobicContact CB-CB 4.18Å; F352-D383 VanDerWaalsContact CB-CG 3.46Å; F352-D383 WeakPolarHBondContact CB-OD2 3.49Å; F352-D383 HydrophobicContact CD2-CB 4.35Å; F352-D383 HydrophobicContact CG-CB 4.25Å; F352-F413 HydrophobicContact CB-CD2 4.16Å; F352-F413 AromaticContact CD1-CD2 3.34Å; F352-F413 HydrophobicContact CD1-CD2 3.34Å; F352-F413 AromaticContact CD1-CE2 3.35Å; F352-F413 HydrophobicContact CD1-CE2 3.35Å; F352-F413 HydrophobicContact CD1-CG 4.12Å; F352-F413 HydrophobicContact CD1-CZ 4.14Å; F352-F413 AromaticContact CE1-CD2 3.91Å; F352-F413 HydrophobicContact CE1-CD2 3.91Å; F352-F413 AromaticContact CE1-CE2 3.38Å; F352-F413 HydrophobicContact CE1-CE2 3.38Å; F352-F413 AromaticContact CE1-CZ 3.9Å; F352-F413 HydrophobicContact CE1-CZ 3.9Å; F352-F413 AromaticContact CG-CD2 3.92Å; F352-F413 HydrophobicContact CG-CD2 3.92Å; F352-F413 HydrophobicContact CG-CE2 4.16Å; F352-F413 HydrophobicContact CZ-CE2 4.2Å; F352-N414 PolarHBondContact O-N 2.93Å | ||
| 353 | N | 69.9 | Low | 69.6 | Low | 50 Ų | 50 | 28.7 Ų | 28.7 | 27% | 0.267 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 108.3 | 173.7 | -157.7 | -43.9 | 0 | 0 | 0 | 113.3 | F291 Q293 G351 | F291-N353 PolarHBondContact O-N 2.95Å; Q293-N353 PolarHBondContact N-O 2.67Å; G351-N353 PolarHBondContact O-N 2.7Å; G351-N353 VanDerWaalsContact O-N 3.17Å |
| 354 | Q | 70.9 | Confident | 70.2 | Confident | 9 Ų | 9 | 30.7 Ų | 30.7 | 4% | 0.042 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 97.9 | 171.5 | -172.2 | 178.8 | 69.5 | 0 | 0 | 111.8 | Q293 F352 N414 S416 | Q293-Q354 WeakPolarHBondContact O-CA 3.28Å; F352-Q354 HydrophobicContact CD1-CB 4.42Å; F352-Q354 HydrophobicContact CE1-CB 3.58Å; F352-Q354 HydrophobicContact CZ-CB 3.91Å; Q354-N414 PolarHBondContact N-O 3Å; Q354-S416 PolarHBondContact O-N 3.14Å |
| 355 | S | 58.3 | Low | 70.7 | Confident | 34 Ų | 34 | 29 Ų | 29 | 24% | 0.238 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 120.7 | -174.4 | 63.4 | 0 | 0 | 0 | 0 | 115.5 | Q293 K295 S416 | Q293-S355 PolarHBondContact O-N 3.36Å; K295-S355 PolarHBondContact N-O 3.44Å; S355-S416 WeakPolarHBondContact CA-OG 3.46Å; S355-S416 WeakPolarHBondContact CB-OG 2.86Å |
| 356 | K | 57.4 | Low | 71.7 | Confident | 147 Ų | 147 | 29.4 Ų | 29.4 | 64% | 0.639 | 18% | 0.176 | S | C | * | . | trans | 59.7 | 109.2 | 168.8 | -74.5 | -178.6 | 179 | 170 | 0 | 120.8 | K295 S416 | K295-K356 VanDerWaalsContact CA-O 3.32Å; K295-K356 WeakPolarHBondContact CA-O 3.45Å; K356-S416 PolarHBondContact N-O 2.79Å | ||
| 357 | S | 55.6 | Low | 72.5 | Confident | 30 Ų | 30 | 27.6 Ų | 27.6 | 21% | 0.21 | 17% | 0.165 | C | C | . | . | trans | -173.3 | 164.1 | 143.1 | 51.9 | 0 | 0 | 0 | 0 | 112 | S296 | S296-S357 VanDerWaalsContact C-OG 3.29Å; S296-S357 WeakPolarHBondContact O-CB 3.32Å; S296-S357 PolarHBondContact O-OG 3.41Å | ||
| 358 | S | 68 | Low | 73.2 | Confident | 32 Ų | 32 | 27.7 Ų | 27.7 | 22% | 0.224 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 126.3 | 172.1 | 58.5 | 0 | 0 | 0 | 0 | 110.6 | L298 S418 S419 | L298-S358 PolarHBondContact N-O 3.47Å; S358-S418 PolarHBondContact N-OG 3.34Å; S358-S419 WeakPolarHBondContact CA-O 3.29Å |
| 359 | L | 74.3 | Confident | 73.7 | Confident | 6 Ų | 6 | 29.7 Ų | 29.7 | 3% | 0.031 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 113 | 170.5 | 171.5 | 56.3 | 0 | 0 | 0 | 108.6 | L298 V361 Y379 S419 L420 N421 | L298-L359 HydrophobicContact CB-CD1 3.8Å; L298-L359 HydrophobicContact CD2-CD1 3.58Å; L298-L359 HydrophobicContact CG-CD1 3.54Å; L298-L359 WeakPolarHBondContact O-CA 3.3Å; L359-V361 HydrophobicContact CD1-CG2 3.39Å; L359-V361 HydrophobicContact CD2-CG2 4.37Å; L359-V361 HydrophobicContact CG-CG2 3.8Å; L359-Y379 HydrophobicContact CD2-CD2 4.03Å; L359-Y379 HydrophobicContact CD2-CE2 3.47Å; L359-Y379 VanDerWaalsContact CD2-CE2 3.47Å; L359-S419 PolarHBondContact N-O 3.17Å; L359-S419 VanDerWaalsContact N-O 3.07Å; L359-L420 HydrophobicContact CB-CD1 3.76Å; L359-L420 HydrophobicContact CD2-CD1 3.53Å; L359-L420 HydrophobicContact CG-CD1 3.48Å; L359-L420 VanDerWaalsContact CG-CD1 3.48Å; L359-L420 WeakPolarHBondContact O-CA 3.39Å; L359-N421 PolarHBondContact O-N 3.1Å |
| 360 | N | 82.5 | Confident | 74.3 | Confident | 51 Ų | 51 | 29 Ų | 29 | 27% | 0.273 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 114.9 | 174.7 | -57.7 | -59.6 | 0 | 0 | 0 | 108.8 | L298 N299 V300 N421 | L298-N360 PolarHBondContact O-N 2.95Å; N299-N360 WeakPolarHBondContact CA-O 3.39Å; N299-N360 PolarHBondContact OD1-ND2 3.46Å; V300-N360 PolarHBondContact N-O 2.92Å; N360-N421 WeakPolarHBondContact CA-O 3.21Å; N360-N421 PolarHBondContact OD1-ND2 3.4Å |
| 361 | V | 84.3 | Confident | 75.4 | Confident | 6 Ų | 6 | 29.9 Ų | 29.9 | 4% | 0.036 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 122.2 | 179.9 | -170.5 | 0 | 0 | 0 | 0 | 109.6 | V300 F316 L359 V363 F377 N421 V422 A423 | V300-V361 HydrophobicContact CB-CG1 4.4Å; V300-V361 WeakPolarHBondContact O-CA 3.42Å; F316-V361 HydrophobicContact CD2-CG1 4.44Å; F316-V361 HydrophobicContact CE1-CG1 3.91Å; F316-V361 HydrophobicContact CE2-CG1 3.77Å; F316-V361 HydrophobicContact CZ-CG1 3.48Å; F316-V361 VanDerWaalsContact CZ-CG1 3.48Å; F316-V361 HydrophobicContact CZ-CG2 4.34Å; L359-V361 HydrophobicContact CD1-CG2 3.39Å; L359-V361 HydrophobicContact CD2-CG2 4.37Å; L359-V361 HydrophobicContact CG-CG2 3.8Å; V361-V363 HydrophobicContact CG1-CG2 3.92Å; V361-F377 HydrophobicContact CB-CE2 4.32Å; V361-F377 HydrophobicContact CG1-CE2 3.67Å; V361-F377 HydrophobicContact CG1-CZ 4.3Å; V361-N421 PolarHBondContact N-O 3.15Å; V361-V422 HydrophobicContact CB-CG1 4.44Å; V361-V422 WeakPolarHBondContact O-CA 2.79Å; V361-A423 PolarHBondContact O-N 2.93Å |
| 362 | A | 87.9 | Confident | 76.5 | Confident | 49 Ų | 49 | 31.3 Ų | 31.3 | 41% | 0.405 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 114.6 | 175 | 0 | 0 | 0 | 0 | 0 | 109.3 | V300 A301 V302 A423 | V300-A362 PolarHBondContact O-N 3.04Å; A301-A362 WeakPolarHBondContact CA-O 3.27Å; V302-A362 PolarHBondContact N-O 3.12Å; A362-A423 WeakPolarHBondContact CA-O 3.48Å |
| 363 | V | 89.3 | Confident | 77.4 | Confident | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 124.1 | 177.7 | -174.1 | 0 | 0 | 0 | 0 | 108.9 | Q314 F316 V361 F377 A423 V424 S425 | Q314-V363 VanDerWaalsContact OE1-CG1 3.23Å; F316-V363 HydrophobicContact CB-CG2 4.15Å; F316-V363 HydrophobicContact CD2-CG2 3.81Å; F316-V363 HydrophobicContact CE2-CG2 4.41Å; F316-V363 HydrophobicContact CG-CG2 3.94Å; V361-V363 HydrophobicContact CG1-CG2 3.92Å; V363-F377 HydrophobicContact CG2-CD2 3.95Å; V363-F377 HydrophobicContact CG2-CE2 4.15Å; V363-A423 PolarHBondContact N-O 3.17Å; V363-V424 WeakPolarHBondContact O-CA 3.34Å; V363-S425 PolarHBondContact O-N 2.93Å; V363-S425 PolarHBondContact O-OG 2.91Å |
| 364 | S | 89.6 | Confident | 78.3 | Confident | 47 Ų | 47 | 31.1 Ų | 31.1 | 33% | 0.329 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 136 | 179.7 | 61.4 | 0 | 0 | 0 | 0 | 111.4 | V302 S303 A304 Q314 S425 | V302-S364 PolarHBondContact O-N 3.24Å; V302-S364 PolarHBondContact O-OG 3.31Å; S303-S364 WeakPolarHBondContact CA-O 3.26Å; A304-S364 PolarHBondContact N-O 2.98Å; A304-S364 VanDerWaalsContact N-O 3.11Å; Q314-S364 PolarHBondContact NE2-O 3.46Å; S364-S425 WeakPolarHBondContact CA-O 3.48Å |
| 365 | A | 87.4 | Confident | 79.2 | Confident | 7 Ų | 7 | 31 Ų | 31 | 6% | 0.058 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 139.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | A304 F312 Q314 F373 S425 A426 S427 | A304-A365 WeakPolarHBondContact O-CA 3.49Å; F312-A365 HydrophobicContact CE1-CB 3.37Å; F312-A365 HydrophobicContact CZ-CB 3.39Å; Q314-A365 HydrophobicContact CB-CB 4.5Å; Q314-A365 VanDerWaalsContact OE1-CB 3.23Å; A365-F373 HydrophobicContact CB-CE2 3.83Å; A365-F373 HydrophobicContact CB-CZ 3.51Å; A365-S425 PolarHBondContact N-O 2.94Å; A365-S425 VanDerWaalsContact N-O 3.08Å; A365-A426 WeakPolarHBondContact O-CA 3.25Å; A365-S427 PolarHBondContact O-N 2.93Å |
| 366 | S | 85.7 | Confident | 80.6 | Confident | 13 Ų | 13 | 30.8 Ų | 30.8 | 9% | 0.091 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 124.5 | 179.1 | -170.8 | 0 | 0 | 0 | 0 | 111.8 | A304 S305 N306 P368 S427 | A304-S366 PolarHBondContact O-N 2.82Å; A304-S366 VanDerWaalsContact O-N 3.1Å; S305-S366 WeakPolarHBondContact CA-O 3.11Å; N306-S366 PolarHBondContact N-O 3.28Å; S366-P368 WeakPolarHBondContact OG-CD 3.4Å; S366-S427 WeakPolarHBondContact CA-O 3.48Å |
| 367 | N | 85 | Confident | 82.2 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | trans | -129 | 78.5 | 169.1 | -172.2 | 0.6 | 0 | 0 | 0 | 110.4 | N306 G309 F312 V369 G370 F373 S427 N428 | N306-N367 WeakPolarHBondContact O-CA 2.96Å; N306-N367 PolarHBondContact O-OD1 3.25Å; G309-N367 PolarHBondContact O-ND2 3.19Å; G309-N367 VanDerWaalsContact O-ND2 3.12Å; G309-N367 PolarHBondContact O-OD1 3.42Å; F312-N367 HydrophobicContact CB-CB 3.92Å; F312-N367 VanDerWaalsContact CB-ND2 3.33Å; F312-N367 WeakPolarHBondContact CB-ND2 3.15Å; F312-N367 HydrophobicContact CD2-CB 4.19Å; F312-N367 HydrophobicContact CG-CB 4.1Å; N367-V369 VanDerWaalsContact C-N 3.27Å; N367-V369 PolarHBondContact O-N 3.03Å; N367-V369 VanDerWaalsContact O-N 3.16Å; N367-G370 WeakPolarHBondContact ND2-CA 3.38Å; N367-G370 PolarHBondContact OD1-N 2.84Å; N367-F373 HydrophobicContact CB-CD2 3.74Å; N367-F373 HydrophobicContact CB-CE2 4.33Å; N367-S427 PolarHBondContact N-O 3.22Å; N367-N428 WeakPolarHBondContact O-CA 3.15Å; N367-N428 PolarHBondContact O-OD1 2.91Å | ||
| 368 | P | 79.1 | Confident | 83.8 | Confident | 5 Ų | 5 | 25.2 Ų | 25.2 | 3% | 0.032 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -45.7 | -38.1 | -179.3 | -32.2 | 33.2 | 0 | 0 | 0 | 117.2 | S366 V430 C1522 | S366-P368 WeakPolarHBondContact OG-CD 3.4Å; P368-V430 WeakPolarHBondContact O-CB 3.44Å; P368-V430 PolarHBondContact O-N 2.88Å; P368-V430 VanDerWaalsContact O-N 3.12Å; P368-C1522 HydrophobicContact CB-CB 4.26Å |
| 369 | V | 72.9 | Confident | 84.7 | Confident | 81 Ų | 81 | 23.8 Ų | 23.8 | 49% | 0.491 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -135.8 | 49.3 | -168.8 | -160.2 | 0 | 0 | 0 | 0 | 112.2 | P307 N367 | P307-V369 WeakPolarHBondContact O-CG2 3.41Å; P307-V369 PolarHBondContact O-N 3.01Å; N367-V369 VanDerWaalsContact C-N 3.27Å; N367-V369 PolarHBondContact O-N 3.03Å; N367-V369 VanDerWaalsContact O-N 3.16Å |
| 370 | G | 71.1 | Confident | 85.2 | Confident | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | trans | -125.7 | 136.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | G309 N367 T372 N428 V430 G431 | G309-G370 WeakPolarHBondContact O-CA 3.34Å; N367-G370 WeakPolarHBondContact ND2-CA 3.38Å; N367-G370 PolarHBondContact OD1-N 2.84Å; G370-T372 VanDerWaalsContact C-N 3.35Å; G370-T372 PolarHBondContact O-N 2.85Å; G370-N428 PolarHBondContact O-ND2 3.01Å; G370-N428 PolarHBondContact O-OD1 2.96Å; G370-V430 PolarHBondContact N-O 2.9Å; G370-G431 WeakPolarHBondContact O-CA 3.48Å | ||
| 371 | S | 81.4 | Confident | 85.2 | Confident | 49 Ų | 49 | 22 Ų | 22 | 34% | 0.343 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -59.5 | -39.3 | -179.2 | 39.5 | 0 | 0 | 0 | 0 | 113.8 | S310 S432 T433 | S310-S371 WeakPolarHBondContact CA-OG 3.45Å; S310-S371 WeakPolarHBondContact CB-OG 3.4Å; S310-S371 PolarHBondContact O-N 2.95Å; S310-S371 VanDerWaalsContact O-N 3.11Å; S310-S371 PolarHBondContact O-OG 3.25Å; S371-S432 WeakPolarHBondContact CA-OG 3.45Å; S371-S432 WeakPolarHBondContact CB-OG 3.25Å; S371-S432 PolarHBondContact O-N 3.16Å; S371-S432 VanDerWaalsContact O-N 3.12Å; S371-S432 PolarHBondContact O-OG 3.27Å; S371-T433 PolarHBondContact O-N 2.68Å |
| 372 | T | 84.8 | Confident | 85.2 | Confident | 39 Ų | 39 | 23.9 Ų | 23.9 | 24% | 0.239 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 128.4 | -174.7 | -52.4 | 0 | 0 | 0 | 0 | 111 | S310 F312 G370 T433 | S310-T372 PolarHBondContact O-N 3.38Å; F312-T372 PolarHBondContact N-O 3.31Å; G370-T372 VanDerWaalsContact C-N 3.35Å; G370-T372 PolarHBondContact O-N 2.85Å; T372-T433 WeakPolarHBondContact CA-O 3.44Å |
| 373 | F | 89.6 | Confident | 84.7 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 124.8 | 175.8 | -179.1 | -78.5 | 0 | 0 | 0 | 110.6 | F312 A365 N367 Q375 A426 N428 T433 F434 N435 | F312-F373 HydrophobicContact CB-CD2 4.22Å; F312-F373 AromaticContact CD1-CD2 3.55Å; F312-F373 HydrophobicContact CD1-CD2 3.55Å; F312-F373 AromaticContact CD1-CE2 3.48Å; F312-F373 HydrophobicContact CD1-CE2 3.48Å; F312-F373 VanDerWaalsContact CD1-CE2 3.48Å; F312-F373 HydrophobicContact CD1-CG 4.29Å; F312-F373 HydrophobicContact CD1-CZ 4.14Å; F312-F373 HydrophobicContact CE1-CD2 4.16Å; F312-F373 AromaticContact CE1-CE2 3.58Å; F312-F373 HydrophobicContact CE1-CE2 3.58Å; F312-F373 AromaticContact CE1-CZ 3.99Å; F312-F373 HydrophobicContact CE1-CZ 3.99Å; F312-F373 HydrophobicContact CG-CD2 4.01Å; F312-F373 HydrophobicContact CG-CE2 4.19Å; F312-F373 HydrophobicContact CZ-CE2 4.31Å; A365-F373 HydrophobicContact CB-CE2 3.83Å; A365-F373 HydrophobicContact CB-CZ 3.51Å; N367-F373 HydrophobicContact CB-CD2 3.74Å; N367-F373 HydrophobicContact CB-CE2 4.33Å; F373-Q375 HydrophobicContact CE1-CB 3.66Å; F373-Q375 HydrophobicContact CZ-CB 4.15Å; F373-A426 HydrophobicContact CE1-CB 3.39Å; F373-A426 HydrophobicContact CZ-CB 3.38Å; F373-N428 HydrophobicContact CB-CB 3.96Å; F373-N428 WeakPolarHBondContact CB-ND2 3.43Å; F373-N428 HydrophobicContact CD2-CB 4.21Å; F373-N428 HydrophobicContact CG-CB 4.14Å; F373-T433 PolarHBondContact N-O 3.03Å; F373-F434 HydrophobicContact CB-CD2 4.09Å; F373-F434 AromaticContact CD1-CD2 3.48Å; F373-F434 HydrophobicContact CD1-CD2 3.48Å; F373-F434 VanDerWaalsContact CD1-CD2 3.48Å; F373-F434 AromaticContact CD1-CE2 3.41Å; F373-F434 HydrophobicContact CD1-CE2 3.41Å; F373-F434 VanDerWaalsContact CD1-CE2 3.41Å; F373-F434 HydrophobicContact CD1-CG 4.25Å; F373-F434 HydrophobicContact CD1-CZ 4.09Å; F373-F434 HydrophobicContact CE1-CD2 4.12Å; F373-F434 AromaticContact CE1-CE2 3.54Å; F373-F434 HydrophobicContact CE1-CE2 3.54Å; F373-F434 AromaticContact CE1-CZ 3.96Å; F373-F434 HydrophobicContact CE1-CZ 3.96Å; F373-F434 AromaticContact CG-CD2 3.89Å; F373-F434 HydrophobicContact CG-CD2 3.89Å; F373-F434 HydrophobicContact CG-CE2 4.07Å; F373-F434 HydrophobicContact CZ-CE2 4.24Å; F373-N435 PolarHBondContact O-N 3.21Å |
| 374 | N | 89.6 | Confident | 84 | Confident | 47 Ų | 47 | 24.2 Ų | 24.2 | 25% | 0.251 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 124.9 | 174.6 | -56.8 | -55.2 | 0 | 0 | 0 | 110.1 | F312 N313 Q314 N435 | F312-N374 PolarHBondContact O-N 3.48Å; N313-N374 WeakPolarHBondContact CA-O 3.4Å; N313-N374 WeakPolarHBondContact OD1-CB 3.43Å; N313-N374 PolarHBondContact OD1-ND2 3.12Å; Q314-N374 PolarHBondContact N-O 2.81Å; N374-N435 WeakPolarHBondContact CA-O 3.09Å; N374-N435 WeakPolarHBondContact OD1-CB 3.32Å; N374-N435 PolarHBondContact OD1-ND2 3.25Å |
| 375 | Q | 89.7 | Confident | 82.8 | Confident | 7 Ų | 7 | 22.8 Ų | 22.8 | 3% | 0.033 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 127.3 | 170.1 | -178.6 | -174.9 | 65.1 | 0 | 0 | 110 | Q314 F373 S425 A426 N435 Q436 G437 | Q314-Q375 CarbonylContact O-C 3.57Å; Q314-Q375 VanDerWaalsContact O-CA 3.31Å; Q314-Q375 WeakPolarHBondContact O-CA 3.46Å; F373-Q375 HydrophobicContact CE1-CB 3.66Å; F373-Q375 HydrophobicContact CZ-CB 4.15Å; Q375-S425 PolarHBondContact NE2-O 2.91Å; Q375-A426 VanDerWaalsContact OE1-CB 3.27Å; Q375-N435 PolarHBondContact N-O 2.99Å; Q375-Q436 CarbonylContact O-C 3.6Å; Q375-Q436 VanDerWaalsContact O-CA 3.32Å; Q375-Q436 WeakPolarHBondContact O-CA 3.06Å; Q375-G437 PolarHBondContact O-N 3.33Å |
| 376 | G | 86.9 | Confident | 81.6 | Confident | 28 Ų | 28 | 22.5 Ų | 22.5 | 29% | 0.289 | 15% | 0.149 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 135.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q314 F316 | Q314-G376 PolarHBondContact O-N 3.23Å; F316-G376 PolarHBondContact N-O 3.49Å |
| 377 | F | 90.7 | Very high | 81 | Confident | 2 Ų | 2 | 25.6 Ų | 25.6 | 1% | 0.009 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 122.6 | 169.7 | -178.3 | -81.4 | 0 | 0 | 0 | 109.4 | F316 V361 V363 V422 V424 G437 F438 T439 | F316-F377 HydrophobicContact CB-CD2 4.07Å; F316-F377 AromaticContact CD1-CD2 3.44Å; F316-F377 HydrophobicContact CD1-CD2 3.44Å; F316-F377 VanDerWaalsContact CD1-CD2 3.44Å; F316-F377 AromaticContact CD1-CE2 3.25Å; F316-F377 HydrophobicContact CD1-CE2 3.25Å; F316-F377 HydrophobicContact CD1-CG 4.27Å; F316-F377 AromaticContact CD1-CZ 3.96Å; F316-F377 HydrophobicContact CD1-CZ 3.96Å; F316-F377 HydrophobicContact CE1-CD2 4.16Å; F316-F377 AromaticContact CE1-CE2 3.48Å; F316-F377 HydrophobicContact CE1-CE2 3.48Å; F316-F377 VanDerWaalsContact CE1-CE2 3.48Å; F316-F377 AromaticContact CE1-CZ 3.89Å; F316-F377 HydrophobicContact CE1-CZ 3.89Å; F316-F377 AromaticContact CG-CD2 3.9Å; F316-F377 HydrophobicContact CG-CD2 3.9Å; F316-F377 AromaticContact CG-CE2 4Å; F316-F377 HydrophobicContact CG-CE2 4Å; F316-F377 HydrophobicContact CZ-CE2 4.35Å; F316-F377 WeakPolarHBondContact O-CA 3.32Å; V361-F377 HydrophobicContact CB-CE2 4.32Å; V361-F377 HydrophobicContact CG1-CE2 3.67Å; V361-F377 HydrophobicContact CG1-CZ 4.3Å; V363-F377 HydrophobicContact CG2-CD2 3.95Å; V363-F377 HydrophobicContact CG2-CE2 4.15Å; F377-V422 HydrophobicContact CD2-CG1 4.46Å; F377-V422 HydrophobicContact CE1-CG1 3.89Å; F377-V422 HydrophobicContact CE2-CG1 3.75Å; F377-V422 HydrophobicContact CZ-CG1 3.44Å; F377-V422 VanDerWaalsContact CZ-CG1 3.44Å; F377-V422 HydrophobicContact CZ-CG2 4.36Å; F377-V424 HydrophobicContact CB-CG2 4.19Å; F377-V424 HydrophobicContact CD2-CG2 3.76Å; F377-V424 HydrophobicContact CE2-CG2 4.32Å; F377-V424 HydrophobicContact CG-CG2 3.95Å; F377-G437 PolarHBondContact N-O 3.4Å; F377-F438 HydrophobicContact CB-CD2 4.01Å; F377-F438 AromaticContact CD1-CD2 3.45Å; F377-F438 HydrophobicContact CD1-CD2 3.45Å; F377-F438 VanDerWaalsContact CD1-CD2 3.45Å; F377-F438 AromaticContact CD1-CE2 3.24Å; F377-F438 HydrophobicContact CD1-CE2 3.24Å; F377-F438 HydrophobicContact CD1-CG 4.25Å; F377-F438 AromaticContact CD1-CZ 3.89Å; F377-F438 HydrophobicContact CD1-CZ 3.89Å; F377-F438 HydrophobicContact CE1-CD2 4.18Å; F377-F438 AromaticContact CE1-CE2 3.48Å; F377-F438 HydrophobicContact CE1-CE2 3.48Å; F377-F438 VanDerWaalsContact CE1-CE2 3.48Å; F377-F438 AromaticContact CE1-CZ 3.82Å; F377-F438 HydrophobicContact CE1-CZ 3.82Å; F377-F438 AromaticContact CG-CD2 3.86Å; F377-F438 HydrophobicContact CG-CD2 3.86Å; F377-F438 AromaticContact CG-CE2 3.92Å; F377-F438 HydrophobicContact CG-CE2 3.92Å; F377-F438 HydrophobicContact CZ-CE2 4.31Å; F377-F438 CarbonylContact O-C 3.58Å; F377-F438 WeakPolarHBondContact O-CA 3.17Å; F377-T439 PolarHBondContact O-N 3.17Å |
| 378 | T | 89.7 | Confident | 80.4 | Confident | 58 Ų | 58 | 25.7 Ų | 25.7 | 36% | 0.356 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 126.9 | 175.6 | -56.1 | 0 | 0 | 0 | 0 | 109.9 | F316 T317 Y318 T439 | F316-T378 PolarHBondContact O-N 3.43Å; T317-T378 WeakPolarHBondContact CA-O 3.32Å; Y318-T378 PolarHBondContact N-O 3.13Å; T378-T439 WeakPolarHBondContact CA-O 3.47Å |
| 379 | Y | 86.2 | Confident | 80.5 | Confident | 3 Ų | 3 | 27 Ų | 27 | 1% | 0.012 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 119.7 | 165.6 | 177 | -78.9 | 0 | 0 | 0 | 107.6 | Y318 L359 V381 K417 T439 Y440 G441 V442 | Y318-Y379 AromaticContact CD1-CD2 3.37Å; Y318-Y379 HydrophobicContact CD1-CD2 3.37Å; Y318-Y379 AromaticContact CD1-CE2 3.29Å; Y318-Y379 HydrophobicContact CD1-CE2 3.29Å; Y318-Y379 HydrophobicContact CD1-CG 4.19Å; Y318-Y379 AromaticContact CE1-CD2 3.97Å; Y318-Y379 HydrophobicContact CE1-CD2 3.97Å; Y318-Y379 AromaticContact CE1-CE2 3.36Å; Y318-Y379 HydrophobicContact CE1-CE2 3.36Å; Y318-Y379 AromaticContact CE1-CZ 3.87Å; Y318-Y379 AromaticContact CG-CD2 3.94Å; Y318-Y379 HydrophobicContact CG-CD2 3.94Å; Y318-Y379 HydrophobicContact CG-CE2 4.14Å; Y318-Y379 WeakPolarHBondContact O-CA 3.46Å; L359-Y379 HydrophobicContact CD2-CD2 4.03Å; L359-Y379 HydrophobicContact CD2-CE2 3.47Å; L359-Y379 VanDerWaalsContact CD2-CE2 3.47Å; Y379-V381 HydrophobicContact CE1-CG2 3.8Å; Y379-V381 WeakPolarHBondContact OH-CG2 3.34Å; Y379-K417 PolarHBondContact OH-NZ 3.28Å; Y379-T439 PolarHBondContact N-O 2.8Å; Y379-Y440 AromaticContact CD1-CD2 3.41Å; Y379-Y440 HydrophobicContact CD1-CD2 3.41Å; Y379-Y440 VanDerWaalsContact CD1-CD2 3.41Å; Y379-Y440 AromaticContact CD1-CE2 3.21Å; Y379-Y440 HydrophobicContact CD1-CE2 3.21Å; Y379-Y440 HydrophobicContact CD1-CG 4.19Å; Y379-Y440 AromaticContact CD1-CZ 3.83Å; Y379-Y440 HydrophobicContact CE1-CD2 4.06Å; Y379-Y440 AromaticContact CE1-CE2 3.34Å; Y379-Y440 HydrophobicContact CE1-CE2 3.34Å; Y379-Y440 AromaticContact CE1-CZ 3.67Å; Y379-Y440 AromaticContact CG-CD2 3.86Å; Y379-Y440 HydrophobicContact CG-CD2 3.86Å; Y379-Y440 AromaticContact CG-CE2 3.92Å; Y379-Y440 HydrophobicContact CG-CE2 3.92Å; Y379-Y440 WeakPolarHBondContact O-CA 3.44Å; Y379-G441 PolarHBondContact O-N 3.41Å; Y379-V442 HydrophobicContact CE1-CG2 4.43Å |
| 380 | G | 86 | Confident | 80.7 | Confident | 19 Ų | 19 | 23.2 Ų | 23.2 | 20% | 0.196 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 135.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y318 G319 V320 G441 | Y318-G380 PolarHBondContact O-N 2.91Å; G319-G380 WeakPolarHBondContact CA-O 3.37Å; V320-G380 PolarHBondContact N-O 2.69Å; V320-G380 VanDerWaalsContact N-O 3.13Å; G380-G441 WeakPolarHBondContact CA-O 3.44Å |
| 381 | V | 82.9 | Confident | 81.3 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 126.2 | 161.4 | 178.3 | 0 | 0 | 0 | 0 | 105.8 | V320 F352 Y379 F413 G441 V442 T443 | V320-V381 HydrophobicContact CB-CG2 4.43Å; V320-V381 WeakPolarHBondContact O-CA 3.45Å; F352-V381 HydrophobicContact CE1-CG1 4.12Å; F352-V381 HydrophobicContact CE2-CG1 4.32Å; F352-V381 HydrophobicContact CZ-CG1 3.62Å; Y379-V381 HydrophobicContact CE1-CG2 3.8Å; Y379-V381 WeakPolarHBondContact OH-CG2 3.34Å; V381-F413 HydrophobicContact CG1-CE2 4.06Å; V381-F413 HydrophobicContact CG1-CZ 4.33Å; V381-G441 PolarHBondContact N-O 3.44Å; V381-G441 VanDerWaalsContact N-O 3.14Å; V381-V442 HydrophobicContact CB-CG1 4.46Å; V381-V442 HydrophobicContact CB-CG2 4.39Å; V381-V442 CarbonylContact O-C 3.53Å; V381-V442 VanDerWaalsContact O-CA 3.3Å; V381-V442 WeakPolarHBondContact O-CA 3.36Å; V381-T443 PolarHBondContact O-N 2.89Å |
| 382 | T | 83.3 | Confident | 81.2 | Confident | 46 Ų | 46 | 23.7 Ų | 23.7 | 28% | 0.282 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 121.9 | 178.1 | -60.6 | 0 | 0 | 0 | 0 | 106.8 | V320 T321 D322 T384 T443 | V320-T382 PolarHBondContact O-N 3.4Å; T321-T382 WeakPolarHBondContact CA-O 3.37Å; D322-T382 PolarHBondContact N-O 3.09Å; T382-T384 WeakPolarHBondContact CG2-OG1 3.28Å; T382-T443 WeakPolarHBondContact CA-O 3.44Å |
| 383 | D | 78.8 | Confident | 81.3 | Confident | 7 Ų | 7 | 24.8 Ų | 24.8 | 4% | 0.037 | 16% | 0.157 | C | C | . | . | trans | -105.5 | 136.6 | 162 | -173.4 | 14.1 | 0 | 0 | 0 | 107 | F352 F413 T443 T445 | F352-D383 HydrophobicContact CB-CB 4.18Å; F352-D383 VanDerWaalsContact CB-CG 3.46Å; F352-D383 WeakPolarHBondContact CB-OD2 3.49Å; F352-D383 HydrophobicContact CD2-CB 4.35Å; F352-D383 HydrophobicContact CG-CB 4.25Å; D383-F413 HydrophobicContact CB-CD2 3.7Å; D383-F413 HydrophobicContact CB-CE2 4.18Å; D383-T443 PolarHBondContact N-O 3.28Å; D383-T445 PolarHBondContact O-N 3.12Å | ||
| 384 | T | 74 | Confident | 81 | Confident | 49 Ų | 49 | 25.1 Ų | 25.1 | 30% | 0.301 | 16% | 0.159 | S | C | . | . | trans | -140.2 | 99.9 | 178 | -56.6 | 0 | 0 | 0 | 0 | 105.6 | D322 A324 T382 | D322-T384 PolarHBondContact O-N 3.14Å; A324-T384 WeakPolarHBondContact CB-O 3.35Å; A324-T384 PolarHBondContact N-O 3.11Å; T382-T384 WeakPolarHBondContact CG2-OG1 3.28Å | ||
| 385 | A | 64.9 | Low | 80.8 | Confident | 17 Ų | 17 | 25.5 Ų | 25.5 | 14% | 0.14 | 16% | 0.163 | C | C | . | . | P | Polyproline II helix | trans | -71.9 | 164.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | T445 P447 | A385-T445 WeakPolarHBondContact CB-O 3.38Å; A385-T445 PolarHBondContact N-O 3.33Å; A385-P447 HydrophobicContact CB-CB 3.87Å; A385-P447 HydrophobicContact CB-CG 3.71Å |
| 386 | P | 62.2 | Low | 80.2 | Confident | 2 Ų | 2 | 25.2 Ų | 25.2 | 1% | 0.013 | 16% | 0.162 | C | C | . | . | P | Polyproline II helix | trans | -101.9 | 136.7 | -167.7 | 32.6 | -23.3 | 0 | 0 | 0 | 116 | A324 P325 T349 V388 P447 | A324-P386 HydrophobicContact CB-CB 3.94Å; A324-P386 HydrophobicContact CB-CG 3.57Å; P325-P386 WeakPolarHBondContact O-CB 3.07Å; P325-P386 WeakPolarHBondContact O-CG 2.9Å; T349-P386 HydrophobicContact CG2-CG 3.86Å; P386-V388 WeakPolarHBondContact O-CG2 3.43Å; P386-V388 PolarHBondContact O-N 3.04Å; P386-P447 WeakPolarHBondContact O-CB 3.16Å |
| 387 | D | 72.7 | Confident | 79.6 | Confident | 78 Ų | 78 | 25.8 Ų | 25.8 | 42% | 0.417 | 16% | 0.161 | S | C | . | . | P | Polyproline II helix | trans | -58.9 | 127.5 | 178.7 | -73.1 | -10.9 | 0 | 0 | 0 | 111.1 | D326 V327 D448 | D326-D387 PolarHBondContact OD1-N 2.98Å; V327-D387 PolarHBondContact N-O 2.94Å; D387-D448 PolarHBondContact OD1-N 2.96Å; D387-D448 VanDerWaalsContact OD1-N 3.14Å |
| 388 | V | 72.8 | Confident | 78.6 | Confident | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.012 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 112 | -178.9 | -174.6 | 0 | 0 | 0 | 0 | 109.3 | V327 T349 P386 T390 T408 T410 D448 V449 S450 | V327-V388 HydrophobicContact CB-CG1 4.46Å; V327-V388 HydrophobicContact CB-CG2 4.49Å; T349-V388 HydrophobicContact CG2-CG2 4.24Å; P386-V388 WeakPolarHBondContact O-CG2 3.43Å; P386-V388 PolarHBondContact O-N 3.04Å; V388-T390 HydrophobicContact CG1-CG2 4.23Å; V388-T408 HydrophobicContact CB-CG2 4.38Å; V388-T408 HydrophobicContact CG1-CG2 3.77Å; V388-T410 HydrophobicContact CG2-CG2 4.38Å; V388-D448 PolarHBondContact N-O 2.93Å; V388-V449 HydrophobicContact CB-CG2 4.32Å; V388-V449 WeakPolarHBondContact O-CA 3.4Å; V388-S450 PolarHBondContact O-N 3.5Å |
| 389 | S | 80.5 | Confident | 77.6 | Confident | 33 Ų | 33 | 25.8 Ų | 25.8 | 23% | 0.231 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 122.6 | 174.2 | 65.6 | 0 | 0 | 0 | 0 | 112 | V327 S328 T329 S450 | V327-S389 PolarHBondContact O-N 2.9Å; S328-S389 WeakPolarHBondContact CA-O 3.45Å; S328-S389 WeakPolarHBondContact CA-OG 3.49Å; S328-S389 WeakPolarHBondContact CB-OG 3.4Å; T329-S389 PolarHBondContact N-O 3.43Å; S389-S450 WeakPolarHBondContact CA-O 3.43Å; S389-S450 WeakPolarHBondContact CA-OG 3.47Å; S389-S450 WeakPolarHBondContact CB-OG 3.46Å |
| 390 | T | 77.6 | Confident | 76.8 | Confident | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.006 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 110.3 | 175.3 | 68.8 | 0 | 0 | 0 | 0 | 109.8 | T329 T347 V388 S450 T451 N452 | T329-T390 WeakPolarHBondContact OG1-CA 3.47Å; T329-T390 WeakPolarHBondContact OG1-CB 3.33Å; T329-T390 VanDerWaalsContact OG1-CG2 3.3Å; T329-T390 WeakPolarHBondContact OG1-CG2 3.45Å; T347-T390 HydrophobicContact CG2-CG2 4.09Å; V388-T390 HydrophobicContact CG1-CG2 4.23Å; T390-S450 PolarHBondContact N-O 3.22Å; T390-S450 PolarHBondContact OG1-O 3.26Å; T390-T451 WeakPolarHBondContact OG1-CA 3.11Å; T390-T451 WeakPolarHBondContact OG1-CG2 3.29Å; T390-T451 PolarHBondContact OG1-OG1 2.88Å; T390-N452 PolarHBondContact O-N 3.04Å |
| 391 | N | 82.6 | Confident | 76.4 | Confident | 52 Ų | 52 | 30.3 Ų | 30.3 | 28% | 0.278 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 114 | 180 | -58.7 | -57 | 0 | 0 | 0 | 110.3 | T329 N330 S331 N452 | T329-N391 PolarHBondContact O-N 3.21Å; N330-N391 CarbonylContact C-O 3.6Å; N330-N391 WeakPolarHBondContact CA-O 3.4Å; N330-N391 WeakPolarHBondContact OD1-CB 3.44Å; N330-N391 PolarHBondContact OD1-ND2 2.84Å; S331-N391 PolarHBondContact N-O 3.09Å; N391-N452 CarbonylContact C-O 3.6Å; N391-N452 WeakPolarHBondContact CA-O 3.45Å; N391-N452 WeakPolarHBondContact OD1-CB 3.43Å; N391-N452 PolarHBondContact OD1-ND2 2.91Å |
| 392 | S | 80.6 | Confident | 76.2 | Confident | 8 Ų | 8 | 30.4 Ų | 30.4 | 6% | 0.056 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 121.9 | -179.1 | -67.8 | 0 | 0 | 0 | 0 | 111.6 | S331 N452 S453 T454 | S331-S392 CarbonylContact O-C 3.56Å; S331-S392 WeakPolarHBondContact O-CA 3.41Å; S392-N452 PolarHBondContact N-O 3.21Å; S392-S453 CarbonylContact O-C 3.52Å; S392-S453 WeakPolarHBondContact O-CA 3.42Å; S392-T454 PolarHBondContact O-N 3.3Å |
| 393 | T | 86.4 | Confident | 76 | Confident | 61 Ų | 61 | 30.9 Ų | 30.9 | 37% | 0.374 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 111.5 | 170.5 | -59.4 | 0 | 0 | 0 | 0 | 109.4 | S331 T332 I333 T454 | S331-T393 PolarHBondContact O-N 2.9Å; T332-T393 CarbonylContact C-O 3.53Å; T332-T393 WeakPolarHBondContact CA-O 3.31Å; I333-T393 PolarHBondContact N-O 3.48Å; T393-T454 CarbonylContact C-O 3.5Å; T393-T454 WeakPolarHBondContact CA-O 3.35Å |
| 394 | I | 82.9 | Confident | 75.8 | Confident | 7 Ų | 7 | 30.8 Ų | 30.8 | 4% | 0.036 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 121.6 | -176.3 | -54.9 | 175.9 | 0 | 0 | 0 | 109.6 | I333 F341 T343 F402 T404 T454 I455 T456 | I333-I394 HydrophobicContact CB-CG1 4.39Å; I333-I394 HydrophobicContact CD1-CG1 4.4Å; I333-I394 CarbonylContact O-C 3.54Å; I333-I394 WeakPolarHBondContact O-CA 3.34Å; F341-I394 HydrophobicContact CE1-CG2 3.84Å; F341-I394 HydrophobicContact CE2-CG2 4.33Å; F341-I394 HydrophobicContact CZ-CG2 3.5Å; F341-I394 VanDerWaalsContact CZ-CG2 3.5Å; T343-I394 HydrophobicContact CG2-CD1 4.32Å; I394-F402 HydrophobicContact CG2-CE2 4Å; I394-F402 HydrophobicContact CG2-CZ 3.88Å; I394-T404 HydrophobicContact CD1-CG2 3.82Å; I394-T454 PolarHBondContact N-O 2.85Å; I394-I455 HydrophobicContact CB-CG1 4.45Å; I394-I455 CarbonylContact O-C 3.46Å; I394-I455 WeakPolarHBondContact O-CA 3.43Å; I394-T456 PolarHBondContact O-N 2.9Å |
| 395 | T | 84.4 | Confident | 75.9 | Confident | 56 Ų | 56 | 30.5 Ų | 30.5 | 34% | 0.344 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 118.5 | 173.3 | -57.7 | 0 | 0 | 0 | 0 | 109.9 | I333 T334 A335 T456 | I333-T395 PolarHBondContact O-N 2.87Å; T334-T395 CarbonylContact C-O 3.58Å; T334-T395 WeakPolarHBondContact CA-O 3.45Å; A335-T395 PolarHBondContact N-O 2.88Å; T395-T456 CarbonylContact C-O 3.59Å; T395-T456 WeakPolarHBondContact CA-O 3.44Å |
| 396 | A | 78.2 | Confident | 76 | Confident | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.008 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 128.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A335 F402 T456 A457 S458 | A335-A396 VanDerWaalsContact O-CA 3.32Å; A335-A396 WeakPolarHBondContact O-CA 3.44Å; A396-F402 HydrophobicContact CB-CD2 4.04Å; A396-F402 HydrophobicContact CB-CE2 3.84Å; A396-T456 PolarHBondContact N-O 2.88Å; A396-A457 VanDerWaalsContact O-CA 3.28Å; A396-A457 WeakPolarHBondContact O-CA 3.39Å; A396-S458 PolarHBondContact O-N 3.26Å; A396-S458 VanDerWaalsContact O-N 3.07Å |
| 397 | S | 74.2 | Confident | 76.3 | Confident | 40 Ų | 40 | 31.7 Ų | 31.7 | 28% | 0.28 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 137 | 177.7 | 56.6 | 0 | 0 | 0 | 0 | 112.5 | A335 S336 A337 | A335-S397 PolarHBondContact O-N 2.87Å; S336-S397 WeakPolarHBondContact CA-OG 3.44Å; A337-S397 WeakPolarHBondContact CA-O 3.31Å; A337-S397 PolarHBondContact N-O 3.41Å |
| 398 | A | 68.8 | Low | 76 | Confident | 57 Ų | 57 | 28 Ų | 28 | 47% | 0.471 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 57.2 | 65.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | T338 S458 | T338-A398 PolarHBondContact N-O 3.31Å; A398-S458 PolarHBondContact N-O 3.36Å |
| 399 | T | 68.7 | Low | 75.5 | Confident | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.012 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 127 | -173.7 | -51.7 | 0 | 0 | 0 | 0 | 114.9 | T338 F341 N401 F402 A459 T460 | T338-T399 WeakPolarHBondContact O-CA 3.47Å; T338-T399 WeakPolarHBondContact O-CB 3.44Å; T338-T399 WeakPolarHBondContact O-CG2 3.42Å; F341-T399 HydrophobicContact CB-CG2 4.05Å; T399-N401 VanDerWaalsContact CG2-O 3.28Å; T399-N401 WeakPolarHBondContact CG2-O 3.46Å; T399-F402 HydrophobicContact CG2-CB 4.48Å; T399-A459 PolarHBondContact N-O 3.15Å; T399-T460 WeakPolarHBondContact O-CA 3.36Å; T399-T460 WeakPolarHBondContact O-CB 3.26Å; T399-T460 WeakPolarHBondContact O-CG2 3.47Å |
| 400 | T | 69.8 | Low | 74.7 | Confident | 58 Ų | 58 | 29 Ų | 29 | 36% | 0.356 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | -44.3 | 179.7 | 49.1 | 0 | 0 | 0 | 0 | 113.2 | T338 T339 T461 N462 | T338-T400 PolarHBondContact O-N 2.93Å; T339-T400 VanDerWaalsContact C-OG1 3.28Å; T339-T400 WeakPolarHBondContact CA-OG1 3.42Å; T339-T400 PolarHBondContact O-N 3.33Å; T339-T400 VanDerWaalsContact O-N 3.13Å; T339-T400 PolarHBondContact O-OG1 3.33Å; T400-T461 PolarHBondContact O-N 3.09Å; T400-T461 PolarHBondContact O-OG1 2.67Å; T400-N462 PolarHBondContact O-N 3.14Å |
| 401 | N | 78.1 | Confident | 73.9 | Confident | 60 Ų | 60 | 32.9 Ų | 32.9 | 32% | 0.321 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 127.9 | 178 | -55.9 | -55.3 | 0 | 0 | 0 | 110.9 | T339 N340 F341 T399 N462 | T339-N401 PolarHBondContact O-N 3.4Å; N340-N401 WeakPolarHBondContact CA-O 3.4Å; N340-N401 PolarHBondContact OD1-ND2 2.75Å; F341-N401 PolarHBondContact N-O 2.93Å; T399-N401 VanDerWaalsContact CG2-O 3.28Å; T399-N401 WeakPolarHBondContact CG2-O 3.46Å; N401-N462 WeakPolarHBondContact CA-O 3.38Å; N401-N462 PolarHBondContact OD1-ND2 2.9Å |
| 402 | F | 78.3 | Confident | 73.1 | Confident | 1 Ų | 1 | 30.9 Ų | 30.9 | 0% | 0.004 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 127.9 | 178.8 | -174.6 | -87.6 | 0 | 0 | 0 | 110.1 | F341 I394 A396 T399 T404 I455 N462 F463 T464 T465 | F341-F402 HydrophobicContact CB-CD2 3.86Å; F341-F402 HydrophobicContact CB-CE2 4.41Å; F341-F402 AromaticContact CD1-CD2 3.46Å; F341-F402 HydrophobicContact CD1-CD2 3.46Å; F341-F402 VanDerWaalsContact CD1-CD2 3.46Å; F341-F402 AromaticContact CD1-CE2 3.22Å; F341-F402 HydrophobicContact CD1-CE2 3.22Å; F341-F402 HydrophobicContact CD1-CG 4.28Å; F341-F402 AromaticContact CD1-CZ 3.88Å; F341-F402 HydrophobicContact CD1-CZ 3.88Å; F341-F402 HydrophobicContact CD2-CE2 4.47Å; F341-F402 HydrophobicContact CE1-CD2 4.19Å; F341-F402 AromaticContact CE1-CE2 3.46Å; F341-F402 HydrophobicContact CE1-CE2 3.46Å; F341-F402 VanDerWaalsContact CE1-CE2 3.46Å; F341-F402 AromaticContact CE1-CZ 3.82Å; F341-F402 HydrophobicContact CE1-CZ 3.82Å; F341-F402 AromaticContact CG-CD2 3.76Å; F341-F402 HydrophobicContact CG-CD2 3.76Å; F341-F402 AromaticContact CG-CE2 3.79Å; F341-F402 HydrophobicContact CG-CE2 3.79Å; F341-F402 HydrophobicContact CZ-CE2 4.19Å; I394-F402 HydrophobicContact CG2-CE2 4Å; I394-F402 HydrophobicContact CG2-CZ 3.88Å; A396-F402 HydrophobicContact CB-CD2 4.04Å; A396-F402 HydrophobicContact CB-CE2 3.84Å; T399-F402 HydrophobicContact CG2-CB 4.48Å; F402-T404 HydrophobicContact CD1-CG2 4.31Å; F402-T404 HydrophobicContact CE1-CG2 3.38Å; F402-T404 HydrophobicContact CZ-CG2 3.5Å; F402-I455 HydrophobicContact CE1-CD1 4.44Å; F402-I455 HydrophobicContact CE1-CG2 3.69Å; F402-I455 HydrophobicContact CZ-CG2 3.55Å; F402-N462 PolarHBondContact N-O 3.05Å; F402-F463 HydrophobicContact CB-CD2 4Å; F402-F463 HydrophobicContact CB-CE2 4.45Å; F402-F463 AromaticContact CD1-CD2 3.83Å; F402-F463 HydrophobicContact CD1-CD2 3.83Å; F402-F463 AromaticContact CD1-CE2 3.47Å; F402-F463 HydrophobicContact CD1-CE2 3.47Å; F402-F463 VanDerWaalsContact CD1-CE2 3.47Å; F402-F463 HydrophobicContact CD1-CZ 4.11Å; F402-F463 AromaticContact CE1-CE2 3.81Å; F402-F463 HydrophobicContact CE1-CE2 3.81Å; F402-F463 HydrophobicContact CE1-CZ 4.18Å; F402-F463 HydrophobicContact CG-CD2 4.04Å; F402-F463 AromaticContact CG-CE2 3.99Å; F402-F463 HydrophobicContact CG-CE2 3.99Å; F402-T464 CarbonylContact C-O 3.56Å; F402-T464 CarbonylContact O-C 3.56Å; F402-T464 WeakPolarHBondContact O-CA 2.88Å; F402-T464 PolarHBondContact O-N 3.35Å; F402-T465 HydrophobicContact CD1-CG2 3.94Å; F402-T465 HydrophobicContact CE1-CG2 3.71Å |
| 403 | T | 78.8 | Confident | 72.8 | Confident | 56 Ų | 56 | 30.5 Ų | 30.5 | 34% | 0.344 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 131.5 | 178 | -53.7 | 0 | 0 | 0 | 0 | 110.3 | F341 T342 T343 T464 | F341-T403 PolarHBondContact O-N 3.12Å; T342-T403 VanDerWaalsContact CA-O 3.28Å; T342-T403 WeakPolarHBondContact CA-O 3.48Å; T343-T403 PolarHBondContact N-O 3.32Å; T403-T464 VanDerWaalsContact CA-O 3.28Å; T403-T464 WeakPolarHBondContact CA-O 3.42Å |
| 404 | T | 74.7 | Confident | 72.3 | Confident | 5 Ų | 5 | 30 Ų | 30 | 3% | 0.031 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 143.1 | 174.7 | 45.6 | 0 | 0 | 0 | 0 | 110.1 | F341 I394 F402 I455 T465 T466 | F341-T404 HydrophobicContact CE1-CG2 4.16Å; I394-T404 HydrophobicContact CD1-CG2 3.82Å; F402-T404 HydrophobicContact CD1-CG2 4.31Å; F402-T404 HydrophobicContact CE1-CG2 3.38Å; F402-T404 HydrophobicContact CZ-CG2 3.5Å; T404-I455 HydrophobicContact CG2-CD1 4.37Å; T404-T465 WeakPolarHBondContact OG1-CA 3.45Å; T404-T465 WeakPolarHBondContact OG1-CB 3.49Å; T404-T465 WeakPolarHBondContact OG1-CG2 3.42Å; T404-T466 CarbonylContact C-O 3.59Å; T404-T466 PolarHBondContact O-N 3.4Å |
| 405 | T | 75.7 | Confident | 71.9 | Confident | 43 Ų | 43 | 29.7 Ų | 29.7 | 26% | 0.264 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 120.7 | 175.7 | -53.5 | 0 | 0 | 0 | 0 | 109.9 | T343 T344 T345 T466 | T343-T405 PolarHBondContact O-N 2.62Å; T344-T405 CarbonylContact C-O 3.55Å; T344-T405 WeakPolarHBondContact CA-O 3.47Å; T345-T405 PolarHBondContact N-O 3.2Å; T405-T466 VanDerWaalsContact CA-O 3.28Å; T405-T466 WeakPolarHBondContact CA-O 3.37Å |
| 406 | T | 67 | Low | 71 | Confident | 10 Ų | 10 | 28.4 Ų | 28.4 | 6% | 0.061 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 139 | 169.6 | -53.1 | 0 | 0 | 0 | 0 | 107.5 | T345 T451 T468 | T345-T406 CarbonylContact O-C 3.6Å; T406-T451 HydrophobicContact CG2-CG2 4.11Å; T406-T468 CarbonylContact C-O 3.59Å; T406-T468 CarbonylContact O-C 3.58Å; T406-T468 WeakPolarHBondContact O-CA 3.43Å; T406-T468 PolarHBondContact O-N 2.93Å |
| 407 | T | 69.1 | Low | 70.2 | Confident | 34 Ų | 34 | 29.1 Ų | 29.1 | 21% | 0.209 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 123 | 177 | -53.9 | 0 | 0 | 0 | 0 | 109.3 | T345 T346 T347 T409 T468 | T345-T407 PolarHBondContact O-N 3.36Å; T346-T407 CarbonylContact C-O 3.57Å; T346-T407 WeakPolarHBondContact CA-O 3.45Å; T347-T407 PolarHBondContact N-O 3Å; T407-T409 HydrophobicContact CG2-CG2 4.18Å; T407-T468 VanDerWaalsContact CA-O 3.27Å; T407-T468 WeakPolarHBondContact CA-O 3.47Å |
| 408 | T | 66.1 | Low | 69.5 | Low | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 134.3 | 170.2 | -54.5 | 0 | 0 | 0 | 0 | 106.8 | T347 V388 V449 T470 | T347-T408 CarbonylContact O-C 3.25Å; T347-T408 WeakPolarHBondContact O-CA 3.43Å; T347-T408 WeakPolarHBondContact OG1-CA 3.33Å; T347-T408 WeakPolarHBondContact OG1-CB 3.25Å; T347-T408 VanDerWaalsContact OG1-CG2 3.29Å; T347-T408 WeakPolarHBondContact OG1-CG2 3.26Å; T347-T408 PolarHBondContact OG1-OG1 3.39Å; V388-T408 HydrophobicContact CB-CG2 4.38Å; V388-T408 HydrophobicContact CG1-CG2 3.77Å; T408-V449 HydrophobicContact CG2-CG1 3.77Å; T408-T470 CarbonylContact O-C 3.6Å; T408-T470 VanDerWaalsContact O-C 3.27Å; T408-T470 PolarHBondContact O-N 2.81Å |
| 409 | T | 62.7 | Low | 69.6 | Low | 46 Ų | 46 | 28.2 Ų | 28.2 | 28% | 0.282 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 132.1 | 173.3 | 61.2 | 0 | 0 | 0 | 0 | 110 | T347 T348 T349 T407 T470 | T347-T409 PolarHBondContact O-N 3.13Å; T347-T409 PolarHBondContact O-OG1 3.27Å; T348-T409 WeakPolarHBondContact CA-O 3.33Å; T348-T409 WeakPolarHBondContact CG2-OG1 3.36Å; T349-T409 PolarHBondContact N-O 3.41Å; T407-T409 HydrophobicContact CG2-CG2 4.18Å; T409-T470 WeakPolarHBondContact CA-O 3.34Å |
| 410 | T | 63.5 | Low | 70 | Confident | 9 Ų | 9 | 28.1 Ų | 28.1 | 6% | 0.055 | 17% | 0.17 | C | C | . | . | trans | -114.6 | 160.7 | 175.6 | 50.8 | 0 | 0 | 0 | 0 | 109.4 | T349 V388 P447 V449 T472 | T349-T410 WeakPolarHBondContact OG1-CA 3.35Å; T349-T410 VanDerWaalsContact OG1-CG2 3.28Å; T349-T410 WeakPolarHBondContact OG1-CG2 2.93Å; V388-T410 HydrophobicContact CG2-CG2 4.38Å; T410-P447 HydrophobicContact CG2-CG 3.55Å; T410-V449 HydrophobicContact CG2-CG2 4.1Å; T410-T472 CarbonylContact C-O 3.57Å; T410-T472 VanDerWaalsContact C-O 3.25Å; T410-T472 PolarHBondContact OG1-N 2.94Å; T410-T472 PolarHBondContact OG1-O 2.66Å; T410-T472 VanDerWaalsContact OG1-O 3.06Å | ||
| 411 | D | 60.8 | Low | 70.7 | Confident | 83 Ų | 83 | 27.9 Ų | 27.9 | 44% | 0.444 | 17% | 0.167 | S | C | . | . | trans | -121.9 | 161.4 | -179.8 | 173.8 | 19.2 | 0 | 0 | 0 | 109.5 | G351 | G351-D411 VanDerWaalsContact CA-OD2 3.26Å; G351-D411 WeakPolarHBondContact CA-OD2 3.4Å; G351-D411 VanDerWaalsContact N-CB 3.27Å; G351-D411 PolarHBondContact N-OD2 3.24Å | ||
| 412 | G | 65.5 | Low | 71.1 | Confident | 11 Ų | 11 | 25.3 Ų | 25.3 | 11% | 0.113 | 15% | 0.153 | C | C | . | . | trans | -118 | 167.1 | -167.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | D473 | G412-D473 VanDerWaalsContact CA-OD1 3.3Å; G412-D473 WeakPolarHBondContact CA-OD1 3.47Å | ||
| 413 | F | 76.1 | Confident | 71.6 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -71.8 | 127.9 | -176 | 177.3 | -87.8 | 0 | 0 | 0 | 113.6 | F352 V381 D383 Q415 V442 D444 G474 F475 N476 | F352-F413 HydrophobicContact CB-CD2 4.16Å; F352-F413 AromaticContact CD1-CD2 3.34Å; F352-F413 HydrophobicContact CD1-CD2 3.34Å; F352-F413 AromaticContact CD1-CE2 3.35Å; F352-F413 HydrophobicContact CD1-CE2 3.35Å; F352-F413 HydrophobicContact CD1-CG 4.12Å; F352-F413 HydrophobicContact CD1-CZ 4.14Å; F352-F413 AromaticContact CE1-CD2 3.91Å; F352-F413 HydrophobicContact CE1-CD2 3.91Å; F352-F413 AromaticContact CE1-CE2 3.38Å; F352-F413 HydrophobicContact CE1-CE2 3.38Å; F352-F413 AromaticContact CE1-CZ 3.9Å; F352-F413 HydrophobicContact CE1-CZ 3.9Å; F352-F413 AromaticContact CG-CD2 3.92Å; F352-F413 HydrophobicContact CG-CD2 3.92Å; F352-F413 HydrophobicContact CG-CE2 4.16Å; F352-F413 HydrophobicContact CZ-CE2 4.2Å; V381-F413 HydrophobicContact CG1-CE2 4.06Å; V381-F413 HydrophobicContact CG1-CZ 4.33Å; D383-F413 HydrophobicContact CB-CD2 3.7Å; D383-F413 HydrophobicContact CB-CE2 4.18Å; F413-Q415 HydrophobicContact CD1-CB 4.38Å; F413-Q415 HydrophobicContact CE1-CB 3.46Å; F413-Q415 VanDerWaalsContact CE1-CB 3.46Å; F413-Q415 HydrophobicContact CZ-CB 3.74Å; F413-V442 HydrophobicContact CE1-CG1 4.03Å; F413-V442 HydrophobicContact CE2-CG1 4.14Å; F413-V442 HydrophobicContact CZ-CG1 3.47Å; F413-V442 VanDerWaalsContact CZ-CG1 3.47Å; F413-D444 HydrophobicContact CB-CB 4.13Å; F413-D444 VanDerWaalsContact CB-CG 3.41Å; F413-D444 WeakPolarHBondContact CB-OD2 3.37Å; F413-D444 HydrophobicContact CD2-CB 4.31Å; F413-D444 HydrophobicContact CG-CB 4.25Å; F413-G474 PolarHBondContact N-O 3.38Å; F413-G474 VanDerWaalsContact O-O 3.1Å; F413-F475 HydrophobicContact CB-CD2 4.2Å; F413-F475 AromaticContact CD1-CD2 3.36Å; F413-F475 HydrophobicContact CD1-CD2 3.36Å; F413-F475 AromaticContact CD1-CE2 3.4Å; F413-F475 HydrophobicContact CD1-CE2 3.4Å; F413-F475 VanDerWaalsContact CD1-CE2 3.4Å; F413-F475 HydrophobicContact CD1-CG 4.12Å; F413-F475 HydrophobicContact CD1-CZ 4.18Å; F413-F475 AromaticContact CE1-CD2 3.86Å; F413-F475 HydrophobicContact CE1-CD2 3.86Å; F413-F475 AromaticContact CE1-CE2 3.35Å; F413-F475 HydrophobicContact CE1-CE2 3.35Å; F413-F475 AromaticContact CE1-CZ 3.87Å; F413-F475 HydrophobicContact CE1-CZ 3.87Å; F413-F475 AromaticContact CG-CD2 3.92Å; F413-F475 HydrophobicContact CG-CD2 3.92Å; F413-F475 HydrophobicContact CG-CE2 4.18Å; F413-F475 HydrophobicContact CZ-CE2 4.09Å; F413-N476 PolarHBondContact O-N 3.08Å | ||
| 414 | N | 75 | Confident | 72.1 | Confident | 51 Ų | 51 | 25 Ų | 25 | 27% | 0.273 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 107.4 | 175.1 | -162.7 | -32 | 0 | 0 | 0 | 113.2 | F352 Q354 | F352-N414 PolarHBondContact O-N 2.93Å; Q354-N414 PolarHBondContact N-O 3Å |
| 415 | Q | 74.6 | Confident | 72.9 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 101 | 173.4 | -174.8 | 179.8 | 87.3 | 0 | 0 | 112.5 | F413 K417 N476 Q477 S478 | F413-Q415 HydrophobicContact CD1-CB 4.38Å; F413-Q415 HydrophobicContact CE1-CB 3.46Å; F413-Q415 VanDerWaalsContact CE1-CB 3.46Å; F413-Q415 HydrophobicContact CZ-CB 3.74Å; Q415-K417 HydrophobicContact CG-CD 4.44Å; Q415-K417 HydrophobicContact CG-CG 4.16Å; Q415-N476 PolarHBondContact N-O 3.11Å; Q415-Q477 WeakPolarHBondContact O-CA 3.39Å; Q415-S478 PolarHBondContact O-N 3.49Å; Q415-S478 VanDerWaalsContact O-N 3.13Å |
| 416 | S | 66.1 | Low | 73.4 | Confident | 28 Ų | 28 | 25.3 Ų | 25.3 | 20% | 0.196 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 95.4 | 179.1 | 59.4 | 0 | 0 | 0 | 0 | 112.9 | Q354 S355 K356 S478 | Q354-S416 PolarHBondContact O-N 3.14Å; S355-S416 WeakPolarHBondContact CA-OG 3.46Å; S355-S416 WeakPolarHBondContact CB-OG 2.86Å; K356-S416 PolarHBondContact N-O 2.79Å; S416-S478 WeakPolarHBondContact CA-O 3.5Å; S416-S478 WeakPolarHBondContact CB-OG 3.33Å |
| 417 | K | 61.5 | Low | 74.3 | Confident | 16 Ų | 16 | 26.5 Ų | 26.5 | 7% | 0.07 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 143.3 | -176.1 | -62.9 | -167.4 | -176.9 | -169.2 | 0 | 114.7 | Y379 Q415 S478 K479 S480 | Y379-K417 PolarHBondContact OH-NZ 3.28Å; Q415-K417 HydrophobicContact CG-CD 4.44Å; Q415-K417 HydrophobicContact CG-CG 4.16Å; K417-S478 PolarHBondContact N-O 2.87Å; K417-S478 VanDerWaalsContact N-O 3.12Å; K417-K479 HydrophobicContact CB-CG 4.29Å; K417-S480 PolarHBondContact O-N 3.06Å; K417-S480 PolarHBondContact O-OG 3.13Å |
| 418 | S | 58.6 | Low | 75.1 | Confident | 53 Ų | 53 | 24.9 Ų | 24.9 | 37% | 0.371 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -85.6 | -16.8 | -178.1 | 62 | 0 | 0 | 0 | 0 | 115.5 | S358 S480 | S358-S418 PolarHBondContact N-OG 3.34Å; S418-S480 WeakPolarHBondContact CA-OG 3.47Å; S418-S480 PolarHBondContact O-OG 3.2Å |
| 419 | S | 71.2 | Confident | 75.7 | Confident | 25 Ų | 25 | 26.2 Ų | 26.2 | 18% | 0.175 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 173.4 | 140 | 165.3 | 36.9 | 0 | 0 | 0 | 0 | 110.4 | S358 L359 S481 | S358-S419 WeakPolarHBondContact CA-O 3.29Å; L359-S419 PolarHBondContact N-O 3.17Å; L359-S419 VanDerWaalsContact N-O 3.07Å; S419-S481 WeakPolarHBondContact CA-O 3.36Å |
| 420 | L | 77.1 | Confident | 76.2 | Confident | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 114 | 170.1 | 169.5 | 57.1 | 0 | 0 | 0 | 108.4 | L359 V422 Y440 S481 L482 N483 | L359-L420 HydrophobicContact CB-CD1 3.76Å; L359-L420 HydrophobicContact CD2-CD1 3.53Å; L359-L420 HydrophobicContact CG-CD1 3.48Å; L359-L420 VanDerWaalsContact CG-CD1 3.48Å; L359-L420 WeakPolarHBondContact O-CA 3.39Å; L420-V422 HydrophobicContact CD1-CG2 3.45Å; L420-V422 VanDerWaalsContact CD1-CG2 3.45Å; L420-V422 HydrophobicContact CD2-CG2 4.45Å; L420-V422 HydrophobicContact CG-CG2 3.88Å; L420-Y440 HydrophobicContact CD2-CD2 4.19Å; L420-Y440 HydrophobicContact CD2-CE2 3.48Å; L420-Y440 VanDerWaalsContact CD2-CE2 3.48Å; L420-S481 PolarHBondContact N-O 2.99Å; L420-L482 HydrophobicContact CB-CD1 3.79Å; L420-L482 HydrophobicContact CD2-CD1 3.51Å; L420-L482 HydrophobicContact CG-CD1 3.44Å; L420-L482 VanDerWaalsContact CG-CD1 3.44Å; L420-L482 WeakPolarHBondContact O-CA 3.18Å; L420-N483 PolarHBondContact O-N 3.43Å |
| 421 | N | 84.6 | Confident | 76.6 | Confident | 52 Ų | 52 | 27.3 Ų | 27.3 | 28% | 0.278 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 115.7 | 176.7 | -57.7 | -57.9 | 0 | 0 | 0 | 109.1 | L359 N360 V361 N483 | L359-N421 PolarHBondContact O-N 3.1Å; N360-N421 WeakPolarHBondContact CA-O 3.21Å; N360-N421 PolarHBondContact OD1-ND2 3.4Å; V361-N421 PolarHBondContact N-O 3.15Å; N421-N483 WeakPolarHBondContact CA-O 3.43Å; N421-N483 WeakPolarHBondContact OD1-CB 3.43Å; N421-N483 PolarHBondContact OD1-ND2 2.78Å |
| 422 | V | 85.8 | Confident | 77.6 | Confident | 6 Ų | 6 | 25.7 Ų | 25.7 | 4% | 0.036 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 120.2 | -179.6 | -172.3 | 0 | 0 | 0 | 0 | 109.3 | V361 F377 L420 V424 F438 N483 V484 A485 | V361-V422 HydrophobicContact CB-CG1 4.44Å; V361-V422 WeakPolarHBondContact O-CA 2.79Å; F377-V422 HydrophobicContact CD2-CG1 4.46Å; F377-V422 HydrophobicContact CE1-CG1 3.89Å; F377-V422 HydrophobicContact CE2-CG1 3.75Å; F377-V422 HydrophobicContact CZ-CG1 3.44Å; F377-V422 VanDerWaalsContact CZ-CG1 3.44Å; F377-V422 HydrophobicContact CZ-CG2 4.36Å; L420-V422 HydrophobicContact CD1-CG2 3.45Å; L420-V422 VanDerWaalsContact CD1-CG2 3.45Å; L420-V422 HydrophobicContact CD2-CG2 4.45Å; L420-V422 HydrophobicContact CG-CG2 3.88Å; V422-V424 HydrophobicContact CG1-CG2 3.96Å; V422-F438 HydrophobicContact CB-CE2 4.4Å; V422-F438 HydrophobicContact CG1-CE2 3.62Å; V422-F438 HydrophobicContact CG1-CZ 4.14Å; V422-N483 PolarHBondContact N-O 3.33Å; V422-V484 HydrophobicContact CB-CG1 4.45Å; V422-V484 WeakPolarHBondContact O-CA 3.27Å; V422-A485 PolarHBondContact O-N 2.97Å |
| 423 | A | 89 | Confident | 78.6 | Confident | 49 Ų | 49 | 27 Ų | 27 | 41% | 0.405 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 114.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | V361 A362 V363 A485 | V361-A423 PolarHBondContact O-N 2.93Å; A362-A423 WeakPolarHBondContact CA-O 3.48Å; V363-A423 PolarHBondContact N-O 3.17Å; A423-A485 WeakPolarHBondContact CA-O 3.31Å |
| 424 | V | 90.2 | Very high | 79.2 | Confident | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.012 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 123.7 | 178.4 | -175.1 | 0 | 0 | 0 | 0 | 108.7 | V363 F377 V422 F438 A485 V486 S487 | V363-V424 WeakPolarHBondContact O-CA 3.34Å; F377-V424 HydrophobicContact CB-CG2 4.19Å; F377-V424 HydrophobicContact CD2-CG2 3.76Å; F377-V424 HydrophobicContact CE2-CG2 4.32Å; F377-V424 HydrophobicContact CG-CG2 3.95Å; V422-V424 HydrophobicContact CG1-CG2 3.96Å; V424-F438 HydrophobicContact CG2-CD2 3.94Å; V424-F438 HydrophobicContact CG2-CE2 4.04Å; V424-A485 PolarHBondContact N-O 3.39Å; V424-V486 HydrophobicContact CB-CG2 4.49Å; V424-V486 WeakPolarHBondContact O-CA 3.14Å; V424-S487 PolarHBondContact O-N 2.96Å; V424-S487 PolarHBondContact O-OG 2.54Å |
| 425 | S | 89.9 | Confident | 79.9 | Confident | 48 Ų | 48 | 26.8 Ų | 26.8 | 34% | 0.336 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 135.6 | 179.6 | 62.1 | 0 | 0 | 0 | 0 | 111.3 | V363 S364 A365 Q375 S487 | V363-S425 PolarHBondContact O-N 2.93Å; V363-S425 PolarHBondContact O-OG 2.91Å; S364-S425 WeakPolarHBondContact CA-O 3.48Å; A365-S425 PolarHBondContact N-O 2.94Å; A365-S425 VanDerWaalsContact N-O 3.08Å; Q375-S425 PolarHBondContact NE2-O 2.91Å; S425-S487 WeakPolarHBondContact CA-O 3.48Å; S425-S487 WeakPolarHBondContact CB-OG 3.46Å |
| 426 | A | 87.9 | Confident | 80.7 | Confident | 6 Ų | 6 | 27.1 Ų | 27.1 | 5% | 0.05 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 139.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A365 F373 Q375 F434 S487 A488 S489 | A365-A426 WeakPolarHBondContact O-CA 3.25Å; F373-A426 HydrophobicContact CE1-CB 3.39Å; F373-A426 HydrophobicContact CZ-CB 3.38Å; Q375-A426 VanDerWaalsContact OE1-CB 3.27Å; A426-F434 HydrophobicContact CB-CE2 3.83Å; A426-F434 HydrophobicContact CB-CZ 3.5Å; A426-F434 VanDerWaalsContact CB-CZ 3.5Å; A426-S487 PolarHBondContact N-O 2.92Å; A426-A488 WeakPolarHBondContact O-CA 3.42Å; A426-S489 PolarHBondContact O-N 3.21Å; A426-S489 VanDerWaalsContact O-N 3.1Å |
| 427 | S | 85.9 | Confident | 81.7 | Confident | 36 Ų | 36 | 27.2 Ų | 27.2 | 25% | 0.252 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 123.9 | 179.5 | -170.4 | 0 | 0 | 0 | 0 | 111.7 | A365 S366 N367 P429 S489 | A365-S427 PolarHBondContact O-N 2.93Å; S366-S427 WeakPolarHBondContact CA-O 3.48Å; N367-S427 PolarHBondContact N-O 3.22Å; S427-P429 WeakPolarHBondContact OG-CD 3.12Å; S427-S489 WeakPolarHBondContact CA-O 3.46Å |
| 428 | N | 85.3 | Confident | 83.1 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -128.6 | 77.7 | 169 | -172.7 | -0.1 | 0 | 0 | 0 | 110 | N367 G370 F373 V430 G431 F434 S489 N490 | N367-N428 WeakPolarHBondContact O-CA 3.15Å; N367-N428 PolarHBondContact O-OD1 2.91Å; G370-N428 PolarHBondContact O-ND2 3.01Å; G370-N428 PolarHBondContact O-OD1 2.96Å; F373-N428 HydrophobicContact CB-CB 3.96Å; F373-N428 WeakPolarHBondContact CB-ND2 3.43Å; F373-N428 HydrophobicContact CD2-CB 4.21Å; F373-N428 HydrophobicContact CG-CB 4.14Å; N428-V430 VanDerWaalsContact C-N 3.25Å; N428-V430 PolarHBondContact O-N 2.89Å; N428-G431 PolarHBondContact OD1-N 2.93Å; N428-F434 HydrophobicContact CB-CD2 3.69Å; N428-F434 HydrophobicContact CB-CE2 4.27Å; N428-S489 PolarHBondContact N-O 2.88Å; N428-N490 WeakPolarHBondContact O-CA 3.39Å; N428-N490 PolarHBondContact O-OD1 2.93Å | ||
| 429 | P | 79.3 | Confident | 84.7 | Confident | 28 Ų | 28 | 26.8 Ų | 26.8 | 18% | 0.182 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -45.2 | -41.5 | 179.9 | -31.2 | 31.6 | 0 | 0 | 0 | 115.9 | S427 V492 | S427-P429 WeakPolarHBondContact OG-CD 3.12Å; P429-V492 WeakPolarHBondContact O-CB 2.88Å; P429-V492 WeakPolarHBondContact O-CG2 3.01Å; P429-V492 PolarHBondContact O-N 3.44Å; P429-V492 VanDerWaalsContact O-N 3.12Å |
| 430 | V | 73.4 | Confident | 85.5 | Confident | 75 Ų | 75 | 25.8 Ų | 25.8 | 46% | 0.455 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -135.8 | 75 | -172.2 | -167 | 0 | 0 | 0 | 0 | 110.1 | P368 G370 N428 | P368-V430 WeakPolarHBondContact O-CB 3.44Å; P368-V430 PolarHBondContact O-N 2.88Å; P368-V430 VanDerWaalsContact O-N 3.12Å; G370-V430 PolarHBondContact N-O 2.9Å; N428-V430 VanDerWaalsContact C-N 3.25Å; N428-V430 PolarHBondContact O-N 2.89Å |
| 431 | G | 72 | Confident | 86 | Confident | 4 Ų | 4 | 26.7 Ų | 26.7 | 4% | 0.041 | 18% | 0.181 | C | C | . | . | trans | -148.5 | 136.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | G370 N428 T433 N490 G493 | G370-G431 WeakPolarHBondContact O-CA 3.48Å; N428-G431 PolarHBondContact OD1-N 2.93Å; G431-T433 PolarHBondContact O-N 3.09Å; G431-N490 PolarHBondContact O-ND2 2.95Å; G431-N490 PolarHBondContact O-OD1 2.97Å; G431-G493 WeakPolarHBondContact O-CA 3.39Å | ||
| 432 | S | 81.6 | Confident | 86 | Confident | 48 Ų | 48 | 24.2 Ų | 24.2 | 34% | 0.336 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -60.2 | -40.6 | -176.5 | 37.6 | 0 | 0 | 0 | 0 | 113.7 | S371 S494 T495 | S371-S432 WeakPolarHBondContact CA-OG 3.45Å; S371-S432 WeakPolarHBondContact CB-OG 3.25Å; S371-S432 PolarHBondContact O-N 3.16Å; S371-S432 VanDerWaalsContact O-N 3.12Å; S371-S432 PolarHBondContact O-OG 3.27Å; S432-S494 WeakPolarHBondContact CA-OG 3.35Å; S432-S494 WeakPolarHBondContact CB-OG 3.29Å; S432-S494 PolarHBondContact O-N 3.16Å; S432-S494 VanDerWaalsContact O-N 3.14Å; S432-S494 PolarHBondContact O-OG 2.84Å; S432-T495 PolarHBondContact O-N 2.58Å |
| 433 | T | 84.7 | Confident | 86 | Confident | 40 Ų | 40 | 26.1 Ų | 26.1 | 25% | 0.245 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 127.8 | -173.7 | -51.3 | 0 | 0 | 0 | 0 | 110.9 | S371 T372 F373 G431 T495 | S371-T433 PolarHBondContact O-N 2.68Å; T372-T433 WeakPolarHBondContact CA-O 3.44Å; F373-T433 PolarHBondContact N-O 3.03Å; G431-T433 PolarHBondContact O-N 3.09Å; T433-T495 WeakPolarHBondContact CA-O 3.46Å |
| 434 | F | 89.3 | Confident | 85.7 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 124.2 | 176.2 | -179.7 | -79.2 | 0 | 0 | 0 | 110.6 | F373 A426 N428 Q436 A488 N490 T495 F496 N497 | F373-F434 HydrophobicContact CB-CD2 4.09Å; F373-F434 AromaticContact CD1-CD2 3.48Å; F373-F434 HydrophobicContact CD1-CD2 3.48Å; F373-F434 VanDerWaalsContact CD1-CD2 3.48Å; F373-F434 AromaticContact CD1-CE2 3.41Å; F373-F434 HydrophobicContact CD1-CE2 3.41Å; F373-F434 VanDerWaalsContact CD1-CE2 3.41Å; F373-F434 HydrophobicContact CD1-CG 4.25Å; F373-F434 HydrophobicContact CD1-CZ 4.09Å; F373-F434 HydrophobicContact CE1-CD2 4.12Å; F373-F434 AromaticContact CE1-CE2 3.54Å; F373-F434 HydrophobicContact CE1-CE2 3.54Å; F373-F434 AromaticContact CE1-CZ 3.96Å; F373-F434 HydrophobicContact CE1-CZ 3.96Å; F373-F434 AromaticContact CG-CD2 3.89Å; F373-F434 HydrophobicContact CG-CD2 3.89Å; F373-F434 HydrophobicContact CG-CE2 4.07Å; F373-F434 HydrophobicContact CZ-CE2 4.24Å; A426-F434 HydrophobicContact CB-CE2 3.83Å; A426-F434 HydrophobicContact CB-CZ 3.5Å; A426-F434 VanDerWaalsContact CB-CZ 3.5Å; N428-F434 HydrophobicContact CB-CD2 3.69Å; N428-F434 HydrophobicContact CB-CE2 4.27Å; F434-Q436 HydrophobicContact CE1-CB 3.68Å; F434-Q436 HydrophobicContact CZ-CB 4.18Å; F434-A488 HydrophobicContact CE1-CB 3.39Å; F434-A488 HydrophobicContact CZ-CB 3.41Å; F434-A488 VanDerWaalsContact CZ-CB 3.41Å; F434-N490 HydrophobicContact CB-CB 3.98Å; F434-N490 VanDerWaalsContact CB-ND2 3.34Å; F434-N490 WeakPolarHBondContact CB-ND2 3.46Å; F434-N490 HydrophobicContact CD2-CB 4.23Å; F434-N490 HydrophobicContact CG-CB 4.14Å; F434-T495 PolarHBondContact N-O 2.95Å; F434-F496 HydrophobicContact CB-CD2 4.16Å; F434-F496 AromaticContact CD1-CD2 3.5Å; F434-F496 HydrophobicContact CD1-CD2 3.5Å; F434-F496 AromaticContact CD1-CE2 3.43Å; F434-F496 HydrophobicContact CD1-CE2 3.43Å; F434-F496 VanDerWaalsContact CD1-CE2 3.43Å; F434-F496 HydrophobicContact CD1-CG 4.28Å; F434-F496 HydrophobicContact CD1-CZ 4.12Å; F434-F496 HydrophobicContact CE1-CD2 4.12Å; F434-F496 AromaticContact CE1-CE2 3.55Å; F434-F496 HydrophobicContact CE1-CE2 3.55Å; F434-F496 AromaticContact CE1-CZ 3.99Å; F434-F496 HydrophobicContact CE1-CZ 3.99Å; F434-F496 AromaticContact CG-CD2 3.96Å; F434-F496 HydrophobicContact CG-CD2 3.96Å; F434-F496 HydrophobicContact CG-CE2 4.14Å; F434-F496 HydrophobicContact CZ-CE2 4.29Å; F434-N497 PolarHBondContact O-N 2.67Å |
| 435 | N | 90 | Very high | 85.2 | Confident | 46 Ų | 46 | 26 Ų | 26 | 25% | 0.246 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 124.2 | 175.8 | -56.6 | -53.9 | 0 | 0 | 0 | 109.9 | F373 N374 Q375 N497 | F373-N435 PolarHBondContact O-N 3.21Å; N374-N435 WeakPolarHBondContact CA-O 3.09Å; N374-N435 WeakPolarHBondContact OD1-CB 3.32Å; N374-N435 PolarHBondContact OD1-ND2 3.25Å; Q375-N435 PolarHBondContact N-O 2.99Å; N435-N497 WeakPolarHBondContact CA-O 3.41Å; N435-N497 WeakPolarHBondContact OD1-CB 3.35Å; N435-N497 PolarHBondContact OD1-ND2 2.87Å |
| 436 | Q | 90.4 | Very high | 84.3 | Confident | 6 Ų | 6 | 24.1 Ų | 24.1 | 3% | 0.028 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 124.6 | 170.8 | -177.8 | -174.7 | 62.3 | 0 | 0 | 110.1 | Q375 F434 V486 S487 A488 N497 Q498 G499 | Q375-Q436 CarbonylContact O-C 3.6Å; Q375-Q436 VanDerWaalsContact O-CA 3.32Å; Q375-Q436 WeakPolarHBondContact O-CA 3.06Å; F434-Q436 HydrophobicContact CE1-CB 3.68Å; F434-Q436 HydrophobicContact CZ-CB 4.18Å; Q436-V486 VanDerWaalsContact OE1-CG1 3.23Å; Q436-S487 PolarHBondContact NE2-O 3.27Å; Q436-S487 VanDerWaalsContact NE2-O 3.09Å; Q436-A488 VanDerWaalsContact OE1-CB 3.25Å; Q436-N497 PolarHBondContact N-O 3.34Å; Q436-Q498 CarbonylContact O-C 3.59Å; Q436-Q498 WeakPolarHBondContact O-CA 3.4Å; Q436-G499 PolarHBondContact O-N 2.69Å |
| 437 | G | 88.2 | Confident | 83.3 | Confident | 30 Ų | 30 | 23.9 Ų | 23.9 | 31% | 0.309 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 136.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q375 F377 | Q375-G437 PolarHBondContact O-N 3.33Å; F377-G437 PolarHBondContact N-O 3.4Å |
| 438 | F | 91.7 | Very high | 82.9 | Confident | 2 Ų | 2 | 25.6 Ų | 25.6 | 1% | 0.009 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 121.4 | 170.6 | -176.9 | -81.4 | 0 | 0 | 0 | 109.5 | F377 V422 V424 V484 V486 G499 F500 T501 | F377-F438 HydrophobicContact CB-CD2 4.01Å; F377-F438 AromaticContact CD1-CD2 3.45Å; F377-F438 HydrophobicContact CD1-CD2 3.45Å; F377-F438 VanDerWaalsContact CD1-CD2 3.45Å; F377-F438 AromaticContact CD1-CE2 3.24Å; F377-F438 HydrophobicContact CD1-CE2 3.24Å; F377-F438 HydrophobicContact CD1-CG 4.25Å; F377-F438 AromaticContact CD1-CZ 3.89Å; F377-F438 HydrophobicContact CD1-CZ 3.89Å; F377-F438 HydrophobicContact CE1-CD2 4.18Å; F377-F438 AromaticContact CE1-CE2 3.48Å; F377-F438 HydrophobicContact CE1-CE2 3.48Å; F377-F438 VanDerWaalsContact CE1-CE2 3.48Å; F377-F438 AromaticContact CE1-CZ 3.82Å; F377-F438 HydrophobicContact CE1-CZ 3.82Å; F377-F438 AromaticContact CG-CD2 3.86Å; F377-F438 HydrophobicContact CG-CD2 3.86Å; F377-F438 AromaticContact CG-CE2 3.92Å; F377-F438 HydrophobicContact CG-CE2 3.92Å; F377-F438 HydrophobicContact CZ-CE2 4.31Å; F377-F438 CarbonylContact O-C 3.58Å; F377-F438 WeakPolarHBondContact O-CA 3.17Å; V422-F438 HydrophobicContact CB-CE2 4.4Å; V422-F438 HydrophobicContact CG1-CE2 3.62Å; V422-F438 HydrophobicContact CG1-CZ 4.14Å; V424-F438 HydrophobicContact CG2-CD2 3.94Å; V424-F438 HydrophobicContact CG2-CE2 4.04Å; F438-V484 HydrophobicContact CE1-CG1 3.86Å; F438-V484 HydrophobicContact CE2-CG1 3.81Å; F438-V484 HydrophobicContact CZ-CG1 3.42Å; F438-V484 VanDerWaalsContact CZ-CG1 3.42Å; F438-V484 HydrophobicContact CZ-CG2 4.43Å; F438-V486 HydrophobicContact CB-CG2 4.25Å; F438-V486 HydrophobicContact CD2-CG2 3.72Å; F438-V486 HydrophobicContact CE2-CG2 4.23Å; F438-V486 HydrophobicContact CG-CG2 3.95Å; F438-G499 PolarHBondContact N-O 3.12Å; F438-F500 HydrophobicContact CB-CD2 4.01Å; F438-F500 AromaticContact CD1-CD2 3.46Å; F438-F500 HydrophobicContact CD1-CD2 3.46Å; F438-F500 VanDerWaalsContact CD1-CD2 3.46Å; F438-F500 AromaticContact CD1-CE2 3.24Å; F438-F500 HydrophobicContact CD1-CE2 3.24Å; F438-F500 HydrophobicContact CD1-CG 4.26Å; F438-F500 AromaticContact CD1-CZ 3.89Å; F438-F500 HydrophobicContact CD1-CZ 3.89Å; F438-F500 HydrophobicContact CE1-CD2 4.18Å; F438-F500 AromaticContact CE1-CE2 3.48Å; F438-F500 HydrophobicContact CE1-CE2 3.48Å; F438-F500 VanDerWaalsContact CE1-CE2 3.48Å; F438-F500 AromaticContact CE1-CZ 3.84Å; F438-F500 HydrophobicContact CE1-CZ 3.84Å; F438-F500 AromaticContact CG-CD2 3.86Å; F438-F500 HydrophobicContact CG-CD2 3.86Å; F438-F500 AromaticContact CG-CE2 3.92Å; F438-F500 HydrophobicContact CG-CE2 3.92Å; F438-F500 HydrophobicContact CZ-CE2 4.3Å; F438-F500 CarbonylContact O-C 3.55Å; F438-F500 WeakPolarHBondContact O-CA 2.84Å; F438-T501 PolarHBondContact O-N 3.06Å |
| 439 | T | 91 | Very high | 82.6 | Confident | 59 Ų | 59 | 25.6 Ų | 25.6 | 36% | 0.362 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 126.8 | 176.7 | -56.1 | 0 | 0 | 0 | 0 | 109.8 | F377 T378 Y379 T501 | F377-T439 PolarHBondContact O-N 3.17Å; T378-T439 WeakPolarHBondContact CA-O 3.47Å; Y379-T439 PolarHBondContact N-O 2.8Å; T439-T501 WeakPolarHBondContact CA-O 3.44Å |
| 440 | Y | 87.5 | Confident | 82.8 | Confident | 3 Ų | 3 | 25.9 Ų | 25.9 | 1% | 0.012 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 117.7 | 167.5 | 179.5 | -78.3 | 0 | 0 | 0 | 107.7 | Y379 L420 V442 K479 T501 Y502 G503 | Y379-Y440 AromaticContact CD1-CD2 3.41Å; Y379-Y440 HydrophobicContact CD1-CD2 3.41Å; Y379-Y440 VanDerWaalsContact CD1-CD2 3.41Å; Y379-Y440 AromaticContact CD1-CE2 3.21Å; Y379-Y440 HydrophobicContact CD1-CE2 3.21Å; Y379-Y440 HydrophobicContact CD1-CG 4.19Å; Y379-Y440 AromaticContact CD1-CZ 3.83Å; Y379-Y440 HydrophobicContact CE1-CD2 4.06Å; Y379-Y440 AromaticContact CE1-CE2 3.34Å; Y379-Y440 HydrophobicContact CE1-CE2 3.34Å; Y379-Y440 AromaticContact CE1-CZ 3.67Å; Y379-Y440 AromaticContact CG-CD2 3.86Å; Y379-Y440 HydrophobicContact CG-CD2 3.86Å; Y379-Y440 AromaticContact CG-CE2 3.92Å; Y379-Y440 HydrophobicContact CG-CE2 3.92Å; Y379-Y440 WeakPolarHBondContact O-CA 3.44Å; L420-Y440 HydrophobicContact CD2-CD2 4.19Å; L420-Y440 HydrophobicContact CD2-CE2 3.48Å; L420-Y440 VanDerWaalsContact CD2-CE2 3.48Å; Y440-V442 HydrophobicContact CE1-CG2 3.74Å; Y440-V442 VanDerWaalsContact OH-CG2 3.31Å; Y440-V442 WeakPolarHBondContact OH-CG2 3.23Å; Y440-K479 PolarHBondContact OH-NZ 2.82Å; Y440-T501 PolarHBondContact N-O 3.35Å; Y440-Y502 AromaticContact CD1-CD2 3.42Å; Y440-Y502 HydrophobicContact CD1-CD2 3.42Å; Y440-Y502 VanDerWaalsContact CD1-CD2 3.42Å; Y440-Y502 AromaticContact CD1-CE2 3.2Å; Y440-Y502 HydrophobicContact CD1-CE2 3.2Å; Y440-Y502 HydrophobicContact CD1-CG 4.21Å; Y440-Y502 AromaticContact CD1-CZ 3.84Å; Y440-Y502 HydrophobicContact CE1-CD2 4.15Å; Y440-Y502 AromaticContact CE1-CE2 3.44Å; Y440-Y502 HydrophobicContact CE1-CE2 3.44Å; Y440-Y502 VanDerWaalsContact CE1-CE2 3.44Å; Y440-Y502 AromaticContact CE1-CZ 3.78Å; Y440-Y502 AromaticContact CG-CD2 3.83Å; Y440-Y502 HydrophobicContact CG-CD2 3.83Å; Y440-Y502 AromaticContact CG-CE2 3.9Å; Y440-Y502 HydrophobicContact CG-CE2 3.9Å; Y440-Y502 CarbonylContact O-C 3.57Å; Y440-Y502 WeakPolarHBondContact O-CA 3.3Å; Y440-G503 PolarHBondContact O-N 3.36Å |
| 441 | G | 87.6 | Confident | 83.3 | Confident | 20 Ų | 20 | 22.3 Ų | 22.3 | 21% | 0.206 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 136.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111 | Y379 G380 V381 G503 | Y379-G441 PolarHBondContact O-N 3.41Å; G380-G441 WeakPolarHBondContact CA-O 3.44Å; V381-G441 PolarHBondContact N-O 3.44Å; V381-G441 VanDerWaalsContact N-O 3.14Å; G441-G503 WeakPolarHBondContact CA-O 3.31Å |
| 442 | V | 85 | Confident | 83.9 | Confident | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 126.6 | 161.2 | 179.2 | 0 | 0 | 0 | 0 | 106.1 | Y379 V381 F413 Y440 F475 G503 V504 T505 | Y379-V442 HydrophobicContact CE1-CG2 4.43Å; V381-V442 HydrophobicContact CB-CG1 4.46Å; V381-V442 HydrophobicContact CB-CG2 4.39Å; V381-V442 CarbonylContact O-C 3.53Å; V381-V442 VanDerWaalsContact O-CA 3.3Å; V381-V442 WeakPolarHBondContact O-CA 3.36Å; F413-V442 HydrophobicContact CE1-CG1 4.03Å; F413-V442 HydrophobicContact CE2-CG1 4.14Å; F413-V442 HydrophobicContact CZ-CG1 3.47Å; F413-V442 VanDerWaalsContact CZ-CG1 3.47Å; Y440-V442 HydrophobicContact CE1-CG2 3.74Å; Y440-V442 VanDerWaalsContact OH-CG2 3.31Å; Y440-V442 WeakPolarHBondContact OH-CG2 3.23Å; V442-F475 HydrophobicContact CG1-CE2 3.84Å; V442-F475 HydrophobicContact CG1-CZ 4.1Å; V442-G503 PolarHBondContact N-O 2.74Å; V442-G503 VanDerWaalsContact N-O 3.15Å; V442-V504 HydrophobicContact CB-CG2 4.4Å; V442-V504 CarbonylContact O-C 3.58Å; V442-V504 VanDerWaalsContact O-CA 3.29Å; V442-V504 WeakPolarHBondContact O-CA 3.09Å; V442-T505 PolarHBondContact O-N 2.89Å |
| 443 | T | 85.5 | Confident | 83.9 | Confident | 46 Ų | 46 | 22.5 Ų | 22.5 | 28% | 0.282 | 14% | 0.143 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 126.1 | 177.5 | -60.5 | 0 | 0 | 0 | 0 | 107.1 | V381 T382 D383 T505 | V381-T443 PolarHBondContact O-N 2.89Å; T382-T443 WeakPolarHBondContact CA-O 3.44Å; D383-T443 PolarHBondContact N-O 3.28Å; T443-T505 WeakPolarHBondContact CA-O 3.46Å |
| 444 | D | 83.2 | Confident | 84 | Confident | 2 Ų | 2 | 23.4 Ų | 23.4 | 1% | 0.011 | 15% | 0.148 | C | C | . | . | trans | -110.5 | 139.3 | 163.5 | -172.7 | 16.5 | 0 | 0 | 0 | 107.2 | F413 F475 T505 T507 | F413-D444 HydrophobicContact CB-CB 4.13Å; F413-D444 VanDerWaalsContact CB-CG 3.41Å; F413-D444 WeakPolarHBondContact CB-OD2 3.37Å; F413-D444 HydrophobicContact CD2-CB 4.31Å; F413-D444 HydrophobicContact CG-CB 4.25Å; D444-F475 HydrophobicContact CB-CD2 3.7Å; D444-F475 HydrophobicContact CB-CE2 4.23Å; D444-T505 PolarHBondContact N-O 2.93Å; D444-T507 PolarHBondContact O-N 3.1Å | ||
| 445 | T | 80.1 | Confident | 83.8 | Confident | 47 Ų | 47 | 23.6 Ų | 23.6 | 29% | 0.288 | 15% | 0.15 | S | C | . | . | trans | -144.8 | 103.8 | 179.8 | -58 | 0 | 0 | 0 | 0 | 106 | D383 A385 | D383-T445 PolarHBondContact O-N 3.12Å; A385-T445 WeakPolarHBondContact CB-O 3.38Å; A385-T445 PolarHBondContact N-O 3.33Å | ||
| 446 | A | 70.7 | Confident | 83.6 | Confident | 7 Ų | 7 | 24.2 Ų | 24.2 | 6% | 0.058 | 16% | 0.155 | C | C | . | . | P | Polyproline II helix | trans | -74.7 | 165.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | D473 T507 P509 | A446-D473 HydrophobicContact CB-CB 4.44Å; A446-D473 WeakPolarHBondContact CB-OD2 3.4Å; A446-T507 WeakPolarHBondContact CB-O 3.2Å; A446-T507 PolarHBondContact N-O 2.8Å; A446-P509 HydrophobicContact CB-CB 3.94Å; A446-P509 VanDerWaalsContact CB-CD 3.44Å; A446-P509 HydrophobicContact CB-CG 3.86Å |
| 447 | P | 67.3 | Low | 83 | Confident | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.006 | 15% | 0.153 | C | C | . | . | P | Polyproline II helix | trans | -93.3 | 127.6 | -167.8 | 28.9 | -24.1 | 0 | 0 | 0 | 114.8 | A385 P386 T410 V449 P509 | A385-P447 HydrophobicContact CB-CB 3.87Å; A385-P447 HydrophobicContact CB-CG 3.71Å; P386-P447 WeakPolarHBondContact O-CB 3.16Å; T410-P447 HydrophobicContact CG2-CG 3.55Å; P447-V449 VanDerWaalsContact O-CG2 3.31Å; P447-V449 WeakPolarHBondContact O-CG2 3.5Å; P447-V449 PolarHBondContact O-N 3.07Å; P447-P509 WeakPolarHBondContact O-CB 3.43Å |
| 448 | D | 78 | Confident | 82.4 | Confident | 72 Ų | 72 | 24.5 Ų | 24.5 | 39% | 0.385 | 15% | 0.153 | S | C | . | . | P | Polyproline II helix | trans | -60.9 | 130.7 | 176.4 | -74.4 | -11.9 | 0 | 0 | 0 | 110.7 | D387 V388 D510 | D387-D448 PolarHBondContact OD1-N 2.96Å; D387-D448 VanDerWaalsContact OD1-N 3.14Å; V388-D448 PolarHBondContact N-O 2.93Å; D448-D510 WeakPolarHBondContact CA-O 3.2Å; D448-D510 WeakPolarHBondContact OD1-CB 3.44Å; D448-D510 PolarHBondContact OD1-N 3.46Å |
| 449 | V | 77.7 | Confident | 81.2 | Confident | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 112.9 | -176.3 | -178.6 | 0 | 0 | 0 | 0 | 110.3 | V388 T408 T410 P447 T469 T471 D510 V511 S512 | V388-V449 HydrophobicContact CB-CG2 4.32Å; V388-V449 WeakPolarHBondContact O-CA 3.4Å; T408-V449 HydrophobicContact CG2-CG1 3.77Å; T410-V449 HydrophobicContact CG2-CG2 4.1Å; P447-V449 VanDerWaalsContact O-CG2 3.31Å; P447-V449 WeakPolarHBondContact O-CG2 3.5Å; P447-V449 PolarHBondContact O-N 3.07Å; V449-T469 HydrophobicContact CG1-CG2 3.98Å; V449-T471 HydrophobicContact CB-CG2 3.8Å; V449-T471 HydrophobicContact CG1-CG2 4.06Å; V449-T471 HydrophobicContact CG2-CG2 3.54Å; V449-D510 PolarHBondContact N-O 2.92Å; V449-V511 HydrophobicContact CB-CG2 4.44Å; V449-V511 WeakPolarHBondContact O-CA 3.4Å; V449-S512 PolarHBondContact O-N 2.94Å |
| 450 | S | 84.5 | Confident | 80.1 | Confident | 33 Ų | 33 | 24.7 Ų | 24.7 | 23% | 0.231 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 123.3 | 173.6 | 66.1 | 0 | 0 | 0 | 0 | 112 | V388 S389 T390 S512 | V388-S450 PolarHBondContact O-N 3.5Å; S389-S450 WeakPolarHBondContact CA-O 3.43Å; S389-S450 WeakPolarHBondContact CA-OG 3.47Å; S389-S450 WeakPolarHBondContact CB-OG 3.46Å; T390-S450 PolarHBondContact N-O 3.22Å; T390-S450 PolarHBondContact OG1-O 3.26Å; S450-S512 CarbonylContact C-O 3.53Å; S450-S512 WeakPolarHBondContact CA-O 3.43Å; S450-S512 WeakPolarHBondContact CA-OG 3.36Å; S450-S512 WeakPolarHBondContact CB-OG 3.44Å |
| 451 | T | 82.8 | Confident | 79.4 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 105.6 | 177.1 | -59.8 | 0 | 0 | 0 | 0 | 109.6 | T390 T406 T467 S512 T513 N514 | T390-T451 WeakPolarHBondContact OG1-CA 3.11Å; T390-T451 WeakPolarHBondContact OG1-CG2 3.29Å; T390-T451 PolarHBondContact OG1-OG1 2.88Å; T406-T451 HydrophobicContact CG2-CG2 4.11Å; T451-T467 HydrophobicContact CG2-CG2 4.25Å; T451-S512 PolarHBondContact N-O 3.4Å; T451-T513 CarbonylContact O-C 3.6Å; T451-T513 WeakPolarHBondContact O-CA 3.37Å; T451-N514 PolarHBondContact O-N 2.82Å |
| 452 | N | 84.8 | Confident | 79 | Confident | 51 Ų | 51 | 29.4 Ų | 29.4 | 27% | 0.273 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 115 | 179.5 | -58.1 | -53.3 | 0 | 0 | 0 | 110.5 | T390 N391 S392 N514 | T390-N452 PolarHBondContact O-N 3.04Å; N391-N452 CarbonylContact C-O 3.6Å; N391-N452 WeakPolarHBondContact CA-O 3.45Å; N391-N452 WeakPolarHBondContact OD1-CB 3.43Å; N391-N452 PolarHBondContact OD1-ND2 2.91Å; S392-N452 PolarHBondContact N-O 3.21Å; N452-N514 CarbonylContact C-O 3.52Å; N452-N514 WeakPolarHBondContact CA-O 3.41Å; N452-N514 WeakPolarHBondContact OD1-CB 3.45Å; N452-N514 PolarHBondContact OD1-ND2 3.42Å |
| 453 | S | 82.6 | Confident | 78.9 | Confident | 6 Ų | 6 | 29.4 Ų | 29.4 | 4% | 0.042 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 121 | -179.9 | -68.5 | 0 | 0 | 0 | 0 | 111.3 | S392 N514 S515 T516 | S392-S453 CarbonylContact O-C 3.52Å; S392-S453 WeakPolarHBondContact O-CA 3.42Å; S453-N514 PolarHBondContact N-O 3Å; S453-S515 CarbonylContact O-C 3.58Å; S453-S515 WeakPolarHBondContact O-CA 3.48Å; S453-T516 PolarHBondContact O-N 2.9Å |
| 454 | T | 86.8 | Confident | 78.7 | Confident | 58 Ų | 58 | 29.6 Ų | 29.6 | 36% | 0.356 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 112.8 | 171.4 | -59.9 | 0 | 0 | 0 | 0 | 109.4 | S392 T393 I394 T516 | S392-T454 PolarHBondContact O-N 3.3Å; T393-T454 CarbonylContact C-O 3.5Å; T393-T454 WeakPolarHBondContact CA-O 3.35Å; I394-T454 PolarHBondContact N-O 2.85Å; T454-T516 CarbonylContact C-O 3.59Å; T454-T516 WeakPolarHBondContact CA-O 3.37Å |
| 455 | I | 84.1 | Confident | 78.6 | Confident | 5 Ų | 5 | 29.5 Ų | 29.5 | 3% | 0.026 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 121.1 | -177.5 | -57.1 | 175.1 | 0 | 0 | 0 | 109.5 | I394 F402 T404 F463 T465 T516 I517 T518 | I394-I455 HydrophobicContact CB-CG1 4.45Å; I394-I455 CarbonylContact O-C 3.46Å; I394-I455 WeakPolarHBondContact O-CA 3.43Å; F402-I455 HydrophobicContact CE1-CD1 4.44Å; F402-I455 HydrophobicContact CE1-CG2 3.69Å; F402-I455 HydrophobicContact CZ-CG2 3.55Å; T404-I455 HydrophobicContact CG2-CD1 4.37Å; I455-F463 HydrophobicContact CG2-CE2 4.17Å; I455-F463 HydrophobicContact CG2-CZ 3.98Å; I455-T465 HydrophobicContact CD1-CG2 3.89Å; I455-T516 PolarHBondContact N-O 2.9Å; I455-I517 HydrophobicContact CB-CG1 4.46Å; I455-I517 CarbonylContact O-C 3.55Å; I455-I517 WeakPolarHBondContact O-CA 3.27Å; I455-T518 PolarHBondContact O-N 2.78Å |
| 456 | T | 85.3 | Confident | 78.6 | Confident | 58 Ų | 58 | 29.1 Ų | 29.1 | 36% | 0.356 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 118.5 | 172.6 | -58.4 | 0 | 0 | 0 | 0 | 110 | I394 T395 A396 T518 | I394-T456 PolarHBondContact O-N 2.9Å; T395-T456 CarbonylContact C-O 3.59Å; T395-T456 WeakPolarHBondContact CA-O 3.44Å; A396-T456 PolarHBondContact N-O 2.88Å; T456-T518 CarbonylContact C-O 3.6Å; T456-T518 WeakPolarHBondContact CA-O 3.35Å |
| 457 | A | 78.9 | Confident | 78.9 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 136.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A396 T460 F463 T518 A519 S520 | A396-A457 VanDerWaalsContact O-CA 3.28Å; A396-A457 WeakPolarHBondContact O-CA 3.39Å; A457-T460 HydrophobicContact CB-CG2 4.4Å; A457-F463 HydrophobicContact CB-CD2 3.85Å; A457-F463 HydrophobicContact CB-CE2 3.54Å; A457-T518 PolarHBondContact N-O 3.37Å; A457-A519 VanDerWaalsContact O-CA 3.27Å; A457-A519 WeakPolarHBondContact O-CA 3.43Å; A457-S520 PolarHBondContact O-N 2.92Å |
| 458 | S | 74.9 | Confident | 79.4 | Confident | 43 Ų | 43 | 30.4 Ų | 30.4 | 30% | 0.301 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 134.4 | 176.4 | 60.2 | 0 | 0 | 0 | 0 | 111.8 | A396 A398 S520 | A396-S458 PolarHBondContact O-N 3.26Å; A396-S458 VanDerWaalsContact O-N 3.07Å; A398-S458 PolarHBondContact N-O 3.36Å; S458-S520 WeakPolarHBondContact CB-OG 3.49Å |
| 459 | A | 67.4 | Low | 79.4 | Confident | 55 Ų | 55 | 27 Ų | 27 | 46% | 0.455 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 59.9 | 80.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | T399 S520 | T399-A459 PolarHBondContact N-O 3.15Å; A459-S520 PolarHBondContact N-O 2.93Å |
| 460 | T | 67.7 | Low | 79.3 | Confident | 9 Ų | 9 | 28.7 Ų | 28.7 | 6% | 0.055 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 154.2 | 178.1 | 78 | 0 | 0 | 0 | 0 | 114.7 | T399 A457 A521 T522 T523 | T399-T460 WeakPolarHBondContact O-CA 3.36Å; T399-T460 WeakPolarHBondContact O-CB 3.26Å; T399-T460 WeakPolarHBondContact O-CG2 3.47Å; A457-T460 HydrophobicContact CB-CG2 4.4Å; T460-A521 PolarHBondContact N-O 3.41Å; T460-A521 VanDerWaalsContact N-O 3.14Å; T460-T522 WeakPolarHBondContact O-CA 3.47Å; T460-T522 WeakPolarHBondContact OG1-CG2 3.35Å; T460-T523 PolarHBondContact O-N 3.28Å |
| 461 | T | 72.9 | Confident | 78.8 | Confident | 63 Ų | 63 | 27.2 Ų | 27.2 | 39% | 0.387 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | -49.2 | 170.6 | 43.3 | 0 | 0 | 0 | 0 | 110.4 | T400 T523 N524 | T400-T461 PolarHBondContact O-N 3.09Å; T400-T461 PolarHBondContact O-OG1 2.67Å; T461-T523 PolarHBondContact O-N 3.19Å; T461-T523 PolarHBondContact O-OG1 3.43Å; T461-N524 PolarHBondContact O-N 3.36Å |
| 462 | N | 79 | Confident | 78.4 | Confident | 59 Ų | 59 | 30.3 Ų | 30.3 | 32% | 0.316 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 126.8 | 177.5 | -56.3 | -54.3 | 0 | 0 | 0 | 109.9 | T400 N401 F402 N524 | T400-N462 PolarHBondContact O-N 3.14Å; N401-N462 WeakPolarHBondContact CA-O 3.38Å; N401-N462 PolarHBondContact OD1-ND2 2.9Å; F402-N462 PolarHBondContact N-O 3.05Å; N462-N524 PolarHBondContact OD1-ND2 3.29Å |
| 463 | F | 81.9 | Confident | 77.9 | Confident | 1 Ų | 1 | 28.3 Ų | 28.3 | 0% | 0.004 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 121.5 | 174.8 | -177.3 | -91 | 0 | 0 | 0 | 109.1 | F402 I455 A457 T465 I517 N524 F525 T526 T527 | F402-F463 HydrophobicContact CB-CD2 4Å; F402-F463 HydrophobicContact CB-CE2 4.45Å; F402-F463 AromaticContact CD1-CD2 3.83Å; F402-F463 HydrophobicContact CD1-CD2 3.83Å; F402-F463 AromaticContact CD1-CE2 3.47Å; F402-F463 HydrophobicContact CD1-CE2 3.47Å; F402-F463 VanDerWaalsContact CD1-CE2 3.47Å; F402-F463 HydrophobicContact CD1-CZ 4.11Å; F402-F463 AromaticContact CE1-CE2 3.81Å; F402-F463 HydrophobicContact CE1-CE2 3.81Å; F402-F463 HydrophobicContact CE1-CZ 4.18Å; F402-F463 HydrophobicContact CG-CD2 4.04Å; F402-F463 AromaticContact CG-CE2 3.99Å; F402-F463 HydrophobicContact CG-CE2 3.99Å; I455-F463 HydrophobicContact CG2-CE2 4.17Å; I455-F463 HydrophobicContact CG2-CZ 3.98Å; A457-F463 HydrophobicContact CB-CD2 3.85Å; A457-F463 HydrophobicContact CB-CE2 3.54Å; F463-T465 HydrophobicContact CD1-CG2 4.19Å; F463-T465 HydrophobicContact CE1-CG2 3.33Å; F463-T465 HydrophobicContact CE2-CG2 4.1Å; F463-T465 HydrophobicContact CZ-CG2 3.27Å; F463-I517 HydrophobicContact CE1-CG2 3.66Å; F463-I517 HydrophobicContact CZ-CG2 3.58Å; F463-N524 PolarHBondContact N-O 2.89Å; F463-F525 HydrophobicContact CB-CD2 4.12Å; F463-F525 AromaticContact CD1-CD2 3.42Å; F463-F525 HydrophobicContact CD1-CD2 3.42Å; F463-F525 VanDerWaalsContact CD1-CD2 3.42Å; F463-F525 AromaticContact CD1-CE2 3.28Å; F463-F525 HydrophobicContact CD1-CE2 3.28Å; F463-F525 HydrophobicContact CD1-CG 4.28Å; F463-F525 HydrophobicContact CD1-CZ 4.07Å; F463-F525 HydrophobicContact CE1-CD2 4.06Å; F463-F525 AromaticContact CE1-CE2 3.41Å; F463-F525 HydrophobicContact CE1-CE2 3.41Å; F463-F525 VanDerWaalsContact CE1-CE2 3.41Å; F463-F525 AromaticContact CE1-CZ 3.93Å; F463-F525 HydrophobicContact CE1-CZ 3.93Å; F463-F525 AromaticContact CG-CD2 3.98Å; F463-F525 HydrophobicContact CG-CD2 3.98Å; F463-F525 HydrophobicContact CG-CE2 4.11Å; F463-F525 HydrophobicContact CZ-CE2 4.34Å; F463-T526 PolarHBondContact O-N 3Å; F463-T527 HydrophobicContact CD1-CG2 4.41Å; F463-T527 HydrophobicContact CE1-CG2 4.01Å |
| 464 | T | 82.2 | Confident | 77.5 | Confident | 50 Ų | 50 | 29 Ų | 29 | 31% | 0.307 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 126.9 | 177.5 | -57.9 | 0 | 0 | 0 | 0 | 110 | F402 T403 T526 | F402-T464 CarbonylContact C-O 3.56Å; F402-T464 CarbonylContact O-C 3.56Å; F402-T464 WeakPolarHBondContact O-CA 2.88Å; F402-T464 PolarHBondContact O-N 3.35Å; T403-T464 VanDerWaalsContact CA-O 3.28Å; T403-T464 WeakPolarHBondContact CA-O 3.42Å; T464-T526 VanDerWaalsContact CA-O 3.28Å; T464-T526 WeakPolarHBondContact CA-O 3.48Å |
| 465 | T | 81.6 | Confident | 77.3 | Confident | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.006 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 130.9 | 173.9 | 59.2 | 0 | 0 | 0 | 0 | 109.7 | F402 T404 I455 F463 T526 T527 T528 | F402-T465 HydrophobicContact CD1-CG2 3.94Å; F402-T465 HydrophobicContact CE1-CG2 3.71Å; T404-T465 WeakPolarHBondContact OG1-CA 3.45Å; T404-T465 WeakPolarHBondContact OG1-CB 3.49Å; T404-T465 WeakPolarHBondContact OG1-CG2 3.42Å; I455-T465 HydrophobicContact CD1-CG2 3.89Å; F463-T465 HydrophobicContact CD1-CG2 4.19Å; F463-T465 HydrophobicContact CE1-CG2 3.33Å; F463-T465 HydrophobicContact CE2-CG2 4.1Å; F463-T465 HydrophobicContact CZ-CG2 3.27Å; T465-T526 PolarHBondContact N-O 3.02Å; T465-T526 VanDerWaalsContact N-O 3.16Å; T465-T527 VanDerWaalsContact OG1-CG2 3.29Å; T465-T527 WeakPolarHBondContact OG1-CG2 3.41Å; T465-T528 PolarHBondContact O-N 2.91Å |
| 466 | T | 80.4 | Confident | 77.1 | Confident | 39 Ų | 39 | 28.4 Ų | 28.4 | 24% | 0.239 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 114.8 | 174.1 | -55 | 0 | 0 | 0 | 0 | 107.9 | T404 T405 T528 | T404-T466 CarbonylContact C-O 3.59Å; T404-T466 PolarHBondContact O-N 3.4Å; T405-T466 VanDerWaalsContact CA-O 3.28Å; T405-T466 WeakPolarHBondContact CA-O 3.37Å; T466-T528 CarbonylContact C-O 3.48Å; T466-T528 VanDerWaalsContact CA-O 3.28Å; T466-T528 WeakPolarHBondContact CA-O 3.44Å |
| 467 | T | 77.2 | Confident | 76.7 | Confident | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.012 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 118.1 | 168.6 | -54.1 | 0 | 0 | 0 | 0 | 106.5 | T451 T513 T528 T529 T530 | T451-T467 HydrophobicContact CG2-CG2 4.25Å; T467-T513 HydrophobicContact CG2-CG2 4.04Å; T467-T528 PolarHBondContact N-O 3.24Å; T467-T529 CarbonylContact O-C 3.51Å; T467-T529 WeakPolarHBondContact O-CA 3.5Å; T467-T530 PolarHBondContact O-N 3.14Å |
| 468 | T | 77.5 | Confident | 76.3 | Confident | 33 Ų | 33 | 27.6 Ų | 27.6 | 20% | 0.202 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 106.6 | 178.1 | -55.9 | 0 | 0 | 0 | 0 | 108.8 | T406 T407 T530 | T406-T468 CarbonylContact C-O 3.59Å; T406-T468 CarbonylContact O-C 3.58Å; T406-T468 WeakPolarHBondContact O-CA 3.43Å; T406-T468 PolarHBondContact O-N 2.93Å; T407-T468 VanDerWaalsContact CA-O 3.27Å; T407-T468 WeakPolarHBondContact CA-O 3.47Å; T468-T530 CarbonylContact C-O 3.47Å; T468-T530 VanDerWaalsContact CA-O 3.24Å; T468-T530 WeakPolarHBondContact CA-O 3.46Å |
| 469 | T | 76.8 | Confident | 75.7 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 116.5 | 170.7 | -49.3 | 0 | 0 | 0 | 0 | 106.6 | V449 T471 V511 T513 T530 T531 T532 | V449-T469 HydrophobicContact CG1-CG2 3.98Å; T469-T471 HydrophobicContact CG2-CG2 4.41Å; T469-V511 HydrophobicContact CG2-CG1 3.89Å; T469-T513 PolarHBondContact OG1-OG1 2.94Å; T469-T530 PolarHBondContact N-O 3.22Å; T469-T531 CarbonylContact O-C 3.48Å; T469-T531 WeakPolarHBondContact O-CA 3.36Å; T469-T532 PolarHBondContact O-N 3.33Å |
| 470 | T | 76 | Confident | 75.3 | Confident | 37 Ų | 37 | 26.2 Ų | 26.2 | 23% | 0.227 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 91.5 | 179.4 | -55.5 | 0 | 0 | 0 | 0 | 109.6 | T408 T409 T532 | T408-T470 CarbonylContact O-C 3.6Å; T408-T470 VanDerWaalsContact O-C 3.27Å; T408-T470 PolarHBondContact O-N 2.81Å; T409-T470 WeakPolarHBondContact CA-O 3.34Å; T470-T532 CarbonylContact C-O 3.55Å; T470-T532 WeakPolarHBondContact CA-O 3.49Å; T470-T532 HydrophobicContact CG2-CG2 4.5Å |
| 471 | T | 74.4 | Confident | 75.5 | Confident | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.012 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 133.8 | 171 | 64.2 | 0 | 0 | 0 | 0 | 108.9 | V449 T469 V511 T532 T533 T534 | V449-T471 HydrophobicContact CB-CG2 3.8Å; V449-T471 HydrophobicContact CG1-CG2 4.06Å; V449-T471 HydrophobicContact CG2-CG2 3.54Å; T469-T471 HydrophobicContact CG2-CG2 4.41Å; T471-V511 HydrophobicContact CG2-CG1 4.23Å; T471-V511 HydrophobicContact CG2-CG2 3.57Å; T471-V511 WeakPolarHBondContact OG1-CG2 3.44Å; T471-T532 PolarHBondContact N-O 3.37Å; T471-T533 WeakPolarHBondContact O-CA 3.17Å; T471-T533 WeakPolarHBondContact OG1-CA 3.4Å; T471-T533 VanDerWaalsContact OG1-CB 3.25Å; T471-T533 WeakPolarHBondContact OG1-CB 3.45Å; T471-T533 WeakPolarHBondContact OG1-CG2 3.37Å; T471-T534 PolarHBondContact O-N 3.45Å |
| 472 | T | 74.7 | Confident | 75.7 | Confident | 64 Ų | 64 | 24 Ų | 24 | 39% | 0.393 | 15% | 0.151 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 128.4 | 169.7 | -57 | 0 | 0 | 0 | 0 | 106.3 | T410 T534 | T410-T472 CarbonylContact C-O 3.57Å; T410-T472 VanDerWaalsContact C-O 3.25Å; T410-T472 PolarHBondContact OG1-N 2.94Å; T410-T472 PolarHBondContact OG1-O 2.66Å; T410-T472 VanDerWaalsContact OG1-O 3.06Å; T472-T534 CarbonylContact C-O 3.56Å; T472-T534 VanDerWaalsContact CA-O 3.27Å; T472-T534 WeakPolarHBondContact CA-O 3.44Å |
| 473 | D | 72.8 | Confident | 76 | Confident | 10 Ų | 10 | 23.6 Ų | 23.6 | 5% | 0.053 | 15% | 0.149 | C | C | . | . | trans | -130.6 | 162.6 | 171.4 | -171.6 | 21.8 | 0 | 0 | 0 | 108.2 | G412 A446 T534 | G412-D473 VanDerWaalsContact CA-OD1 3.3Å; G412-D473 WeakPolarHBondContact CA-OD1 3.47Å; A446-D473 HydrophobicContact CB-CB 4.44Å; A446-D473 WeakPolarHBondContact CB-OD2 3.4Å; D473-T534 PolarHBondContact N-O 3.14Å | ||
| 474 | G | 74.5 | Confident | 76.2 | Confident | 21 Ų | 21 | 23.8 Ų | 23.8 | 22% | 0.216 | 15% | 0.15 | C | C | . | . | trans | -177.1 | 113.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | F413 N476 G536 | F413-G474 PolarHBondContact N-O 3.38Å; F413-G474 VanDerWaalsContact O-O 3.1Å; G474-N476 PolarHBondContact O-N 3.23Å; G474-G536 WeakPolarHBondContact CA-O 3.46Å | ||
| 475 | F | 82.9 | Confident | 76.5 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | trans | -72.1 | 111.8 | 169.4 | -179.8 | -89.4 | 0 | 0 | 0 | 111.8 | F413 V442 D444 Q477 V504 D506 G536 F537 N538 | F413-F475 HydrophobicContact CB-CD2 4.2Å; F413-F475 AromaticContact CD1-CD2 3.36Å; F413-F475 HydrophobicContact CD1-CD2 3.36Å; F413-F475 AromaticContact CD1-CE2 3.4Å; F413-F475 HydrophobicContact CD1-CE2 3.4Å; F413-F475 VanDerWaalsContact CD1-CE2 3.4Å; F413-F475 HydrophobicContact CD1-CG 4.12Å; F413-F475 HydrophobicContact CD1-CZ 4.18Å; F413-F475 AromaticContact CE1-CD2 3.86Å; F413-F475 HydrophobicContact CE1-CD2 3.86Å; F413-F475 AromaticContact CE1-CE2 3.35Å; F413-F475 HydrophobicContact CE1-CE2 3.35Å; F413-F475 AromaticContact CE1-CZ 3.87Å; F413-F475 HydrophobicContact CE1-CZ 3.87Å; F413-F475 AromaticContact CG-CD2 3.92Å; F413-F475 HydrophobicContact CG-CD2 3.92Å; F413-F475 HydrophobicContact CG-CE2 4.18Å; F413-F475 HydrophobicContact CZ-CE2 4.09Å; V442-F475 HydrophobicContact CG1-CE2 3.84Å; V442-F475 HydrophobicContact CG1-CZ 4.1Å; D444-F475 HydrophobicContact CB-CD2 3.7Å; D444-F475 HydrophobicContact CB-CE2 4.23Å; F475-Q477 HydrophobicContact CD1-CB 4.33Å; F475-Q477 HydrophobicContact CE1-CB 3.45Å; F475-Q477 VanDerWaalsContact CE1-CB 3.45Å; F475-Q477 HydrophobicContact CZ-CB 3.8Å; F475-V504 HydrophobicContact CE1-CG1 3.76Å; F475-V504 HydrophobicContact CE2-CG1 4Å; F475-V504 HydrophobicContact CZ-CG1 3.32Å; F475-D506 HydrophobicContact CB-CB 4.12Å; F475-D506 VanDerWaalsContact CB-CG 3.41Å; F475-D506 WeakPolarHBondContact CB-OD2 3.49Å; F475-D506 HydrophobicContact CD2-CB 4.42Å; F475-D506 HydrophobicContact CG-CB 4.3Å; F475-G536 PolarHBondContact N-O 2.96Å; F475-F537 HydrophobicContact CB-CD2 4.01Å; F475-F537 AromaticContact CD1-CD2 3.46Å; F475-F537 HydrophobicContact CD1-CD2 3.46Å; F475-F537 VanDerWaalsContact CD1-CD2 3.46Å; F475-F537 AromaticContact CD1-CE2 3.31Å; F475-F537 HydrophobicContact CD1-CE2 3.31Å; F475-F537 HydrophobicContact CD1-CG 4.25Å; F475-F537 HydrophobicContact CD1-CZ 4Å; F475-F537 HydrophobicContact CE1-CD2 4.15Å; F475-F537 AromaticContact CE1-CE2 3.51Å; F475-F537 HydrophobicContact CE1-CE2 3.51Å; F475-F537 AromaticContact CE1-CZ 3.92Å; F475-F537 HydrophobicContact CE1-CZ 3.92Å; F475-F537 AromaticContact CG-CD2 3.89Å; F475-F537 HydrophobicContact CG-CD2 3.89Å; F475-F537 HydrophobicContact CG-CE2 4.01Å; F475-F537 HydrophobicContact CZ-CE2 4.34Å; F475-N538 CarbonylContact O-C 3.39Å; F475-N538 WeakPolarHBondContact O-CA 3.49Å; F475-N538 PolarHBondContact O-N 2.52Å | ||
| 476 | N | 79.8 | Confident | 76.9 | Confident | 50 Ų | 50 | 23.8 Ų | 23.8 | 27% | 0.267 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 107 | 174.3 | -160.7 | -39.6 | 0 | 0 | 0 | 112.4 | F413 Q415 G474 N538 | F413-N476 PolarHBondContact O-N 3.08Å; Q415-N476 PolarHBondContact N-O 3.11Å; G474-N476 PolarHBondContact O-N 3.23Å; N476-N538 WeakPolarHBondContact CA-O 3.45Å |
| 477 | Q | 77.7 | Confident | 77.4 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 89.1 | 171.6 | -170.7 | -179.3 | 92.4 | 0 | 0 | 112.3 | Q415 F475 K479 N538 Q539 S540 | Q415-Q477 WeakPolarHBondContact O-CA 3.39Å; F475-Q477 HydrophobicContact CD1-CB 4.33Å; F475-Q477 HydrophobicContact CE1-CB 3.45Å; F475-Q477 VanDerWaalsContact CE1-CB 3.45Å; F475-Q477 HydrophobicContact CZ-CB 3.8Å; Q477-K479 HydrophobicContact CG-CD 4.2Å; Q477-K479 HydrophobicContact CG-CG 4.21Å; Q477-N538 PolarHBondContact N-O 3.4Å; Q477-Q539 HydrophobicContact CB-CG 4.48Å; Q477-S540 PolarHBondContact O-N 3.3Å |
| 478 | S | 69.4 | Low | 77.9 | Confident | 40 Ų | 40 | 24.4 Ų | 24.4 | 28% | 0.28 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 106.7 | 176.9 | 57.3 | 0 | 0 | 0 | 0 | 112.1 | Q415 S416 K417 S540 | Q415-S478 PolarHBondContact O-N 3.49Å; Q415-S478 VanDerWaalsContact O-N 3.13Å; S416-S478 WeakPolarHBondContact CA-O 3.5Å; S416-S478 WeakPolarHBondContact CB-OG 3.33Å; K417-S478 PolarHBondContact N-O 2.87Å; K417-S478 VanDerWaalsContact N-O 3.12Å; S478-S540 WeakPolarHBondContact CA-O 3.47Å |
| 479 | K | 62.5 | Low | 78.3 | Confident | 8 Ų | 8 | 24.7 Ų | 24.7 | 4% | 0.035 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 134.8 | -178.1 | -65.1 | -178.3 | 175.5 | 151 | 0 | 113.8 | K417 Y440 Q477 S540 K541 S542 | K417-K479 HydrophobicContact CB-CG 4.29Å; Y440-K479 PolarHBondContact OH-NZ 2.82Å; Q477-K479 HydrophobicContact CG-CD 4.2Å; Q477-K479 HydrophobicContact CG-CG 4.21Å; K479-S540 PolarHBondContact N-O 2.97Å; K479-S540 VanDerWaalsContact N-O 3.08Å; K479-K541 HydrophobicContact CB-CG 4.2Å; K479-K541 WeakPolarHBondContact O-CA 3.44Å; K479-S542 PolarHBondContact O-N 3.45Å; K479-S542 PolarHBondContact O-OG 2.95Å |
| 480 | S | 59.8 | Low | 78.7 | Confident | 62 Ų | 62 | 24.7 Ų | 24.7 | 43% | 0.434 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -88.6 | -1 | 176.2 | 43.2 | 0 | 0 | 0 | 0 | 115.6 | K417 S418 S542 | K417-S480 PolarHBondContact O-N 3.06Å; K417-S480 PolarHBondContact O-OG 3.13Å; S418-S480 WeakPolarHBondContact CA-OG 3.47Å; S418-S480 PolarHBondContact O-OG 3.2Å; S480-S542 WeakPolarHBondContact CA-OG 3.41Å; S480-S542 PolarHBondContact O-OG 3.1Å |
| 481 | S | 71.3 | Confident | 78.8 | Confident | 24 Ų | 24 | 24.7 Ų | 24.7 | 17% | 0.168 | 17% | 0.166 | C | C | . | . | trans | 171.7 | 141.9 | 154.2 | 42 | 0 | 0 | 0 | 0 | 110.9 | S419 L420 S543 | S419-S481 WeakPolarHBondContact CA-O 3.36Å; L420-S481 PolarHBondContact N-O 2.99Å; S481-S543 WeakPolarHBondContact CA-O 3.34Å | ||
| 482 | L | 77 | Confident | 78.7 | Confident | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 112.9 | 167.8 | 169.7 | 55.3 | 0 | 0 | 0 | 108.5 | L420 V484 Y502 S543 L544 N545 | L420-L482 HydrophobicContact CB-CD1 3.79Å; L420-L482 HydrophobicContact CD2-CD1 3.51Å; L420-L482 HydrophobicContact CG-CD1 3.44Å; L420-L482 VanDerWaalsContact CG-CD1 3.44Å; L420-L482 WeakPolarHBondContact O-CA 3.18Å; L482-V484 HydrophobicContact CD1-CG2 3.45Å; L482-V484 VanDerWaalsContact CD1-CG2 3.45Å; L482-V484 HydrophobicContact CD2-CG2 4.47Å; L482-V484 HydrophobicContact CG-CG2 3.9Å; L482-Y502 HydrophobicContact CD2-CD2 4.31Å; L482-Y502 HydrophobicContact CD2-CE2 3.54Å; L482-S543 PolarHBondContact N-O 3.42Å; L482-L544 HydrophobicContact CB-CD1 3.79Å; L482-L544 HydrophobicContact CD2-CD1 3.5Å; L482-L544 HydrophobicContact CG-CD1 3.43Å; L482-L544 VanDerWaalsContact CG-CD1 3.43Å; L482-L544 WeakPolarHBondContact O-CA 3.45Å; L482-N545 PolarHBondContact O-N 2.93Å |
| 483 | N | 84.6 | Confident | 78.6 | Confident | 51 Ų | 51 | 25.6 Ų | 25.6 | 27% | 0.273 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 115.4 | 176.8 | -57.3 | -58.9 | 0 | 0 | 0 | 109.1 | L420 N421 V422 N545 | L420-N483 PolarHBondContact O-N 3.43Å; N421-N483 WeakPolarHBondContact CA-O 3.43Å; N421-N483 WeakPolarHBondContact OD1-CB 3.43Å; N421-N483 PolarHBondContact OD1-ND2 2.78Å; V422-N483 PolarHBondContact N-O 3.33Å; N483-N545 WeakPolarHBondContact CA-O 3.45Å; N483-N545 WeakPolarHBondContact OD1-CB 3.42Å; N483-N545 PolarHBondContact OD1-ND2 3.28Å |
| 484 | V | 86.5 | Confident | 79 | Confident | 5 Ų | 5 | 27.5 Ų | 27.5 | 3% | 0.03 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 120 | 179.6 | -172.9 | 0 | 0 | 0 | 0 | 109 | V422 F438 L482 V486 F500 N545 V546 A547 | V422-V484 HydrophobicContact CB-CG1 4.45Å; V422-V484 WeakPolarHBondContact O-CA 3.27Å; F438-V484 HydrophobicContact CE1-CG1 3.86Å; F438-V484 HydrophobicContact CE2-CG1 3.81Å; F438-V484 HydrophobicContact CZ-CG1 3.42Å; F438-V484 VanDerWaalsContact CZ-CG1 3.42Å; F438-V484 HydrophobicContact CZ-CG2 4.43Å; L482-V484 HydrophobicContact CD1-CG2 3.45Å; L482-V484 VanDerWaalsContact CD1-CG2 3.45Å; L482-V484 HydrophobicContact CD2-CG2 4.47Å; L482-V484 HydrophobicContact CG-CG2 3.9Å; V484-V486 HydrophobicContact CG1-CG2 3.97Å; V484-F500 HydrophobicContact CB-CE2 4.46Å; V484-F500 HydrophobicContact CG1-CE2 3.64Å; V484-F500 HydrophobicContact CG1-CZ 4.13Å; V484-N545 PolarHBondContact N-O 3.13Å; V484-V546 HydrophobicContact CB-CG1 4.45Å; V484-V546 WeakPolarHBondContact O-CA 3.38Å; V484-A547 PolarHBondContact O-N 3.05Å |
| 485 | A | 89 | Confident | 79.5 | Confident | 49 Ų | 49 | 28.4 Ų | 28.4 | 41% | 0.405 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 113.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | V422 A423 V424 A547 | V422-A485 PolarHBondContact O-N 2.97Å; A423-A485 WeakPolarHBondContact CA-O 3.31Å; V424-A485 PolarHBondContact N-O 3.39Å; A485-A547 WeakPolarHBondContact CA-O 3.42Å |
| 486 | V | 90.9 | Very high | 79.8 | Confident | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.012 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 123.9 | 178.1 | -174.6 | 0 | 0 | 0 | 0 | 108.7 | V424 Q436 F438 V484 F500 A547 V548 S549 | V424-V486 HydrophobicContact CB-CG2 4.49Å; V424-V486 WeakPolarHBondContact O-CA 3.14Å; Q436-V486 VanDerWaalsContact OE1-CG1 3.23Å; F438-V486 HydrophobicContact CB-CG2 4.25Å; F438-V486 HydrophobicContact CD2-CG2 3.72Å; F438-V486 HydrophobicContact CE2-CG2 4.23Å; F438-V486 HydrophobicContact CG-CG2 3.95Å; V484-V486 HydrophobicContact CG1-CG2 3.97Å; V486-F500 HydrophobicContact CG2-CD2 3.94Å; V486-F500 HydrophobicContact CG2-CE2 4.01Å; V486-A547 PolarHBondContact N-O 2.85Å; V486-V548 HydrophobicContact CB-CG2 4.49Å; V486-V548 WeakPolarHBondContact O-CA 3.48Å; V486-S549 PolarHBondContact O-N 3.11Å; V486-S549 PolarHBondContact O-OG 2.91Å |
| 487 | S | 89.9 | Confident | 80.3 | Confident | 48 Ų | 48 | 28.3 Ų | 28.3 | 34% | 0.336 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 135.3 | 179.8 | 61 | 0 | 0 | 0 | 0 | 111.3 | V424 S425 A426 Q436 S549 | V424-S487 PolarHBondContact O-N 2.96Å; V424-S487 PolarHBondContact O-OG 2.54Å; S425-S487 WeakPolarHBondContact CA-O 3.48Å; S425-S487 WeakPolarHBondContact CB-OG 3.46Å; A426-S487 PolarHBondContact N-O 2.92Å; Q436-S487 PolarHBondContact NE2-O 3.27Å; Q436-S487 VanDerWaalsContact NE2-O 3.09Å; S487-S549 WeakPolarHBondContact CA-O 3.47Å; S487-S549 WeakPolarHBondContact CB-OG 3.41Å |
| 488 | A | 88.1 | Confident | 80.9 | Confident | 6 Ų | 6 | 28.6 Ų | 28.6 | 5% | 0.05 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 141 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A426 F434 Q436 F496 S549 A550 S551 | A426-A488 WeakPolarHBondContact O-CA 3.42Å; F434-A488 HydrophobicContact CE1-CB 3.39Å; F434-A488 HydrophobicContact CZ-CB 3.41Å; F434-A488 VanDerWaalsContact CZ-CB 3.41Å; Q436-A488 VanDerWaalsContact OE1-CB 3.25Å; A488-F496 HydrophobicContact CB-CE2 3.82Å; A488-F496 HydrophobicContact CB-CZ 3.51Å; A488-S549 PolarHBondContact N-O 3.34Å; A488-A550 WeakPolarHBondContact O-CA 3.48Å; A488-S551 PolarHBondContact O-N 3.42Å; A488-S551 VanDerWaalsContact O-N 3.09Å |
| 489 | S | 85.3 | Confident | 81.7 | Confident | 38 Ų | 38 | 28.1 Ų | 28.1 | 27% | 0.266 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 120.7 | -178.4 | -174.1 | 0 | 0 | 0 | 0 | 111.1 | A426 S427 N428 P491 S551 | A426-S489 PolarHBondContact O-N 3.21Å; A426-S489 VanDerWaalsContact O-N 3.1Å; S427-S489 WeakPolarHBondContact CA-O 3.46Å; N428-S489 PolarHBondContact N-O 2.88Å; S489-P491 WeakPolarHBondContact OG-CD 3.38Å; S489-S551 WeakPolarHBondContact CA-O 3.43Å |
| 490 | N | 84.8 | Confident | 83.1 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -129.6 | 76 | 170.1 | -173.2 | -0.6 | 0 | 0 | 0 | 110.8 | N428 G431 F434 V492 G493 F496 S551 N552 | N428-N490 WeakPolarHBondContact O-CA 3.39Å; N428-N490 PolarHBondContact O-OD1 2.93Å; G431-N490 PolarHBondContact O-ND2 2.95Å; G431-N490 PolarHBondContact O-OD1 2.97Å; F434-N490 HydrophobicContact CB-CB 3.98Å; F434-N490 VanDerWaalsContact CB-ND2 3.34Å; F434-N490 WeakPolarHBondContact CB-ND2 3.46Å; F434-N490 HydrophobicContact CD2-CB 4.23Å; F434-N490 HydrophobicContact CG-CB 4.14Å; N490-V492 VanDerWaalsContact C-N 3.29Å; N490-V492 PolarHBondContact O-N 3.32Å; N490-V492 VanDerWaalsContact O-N 3.17Å; N490-G493 WeakPolarHBondContact ND2-CA 3.38Å; N490-G493 WeakPolarHBondContact OD1-CA 3.08Å; N490-G493 PolarHBondContact OD1-N 3.12Å; N490-F496 HydrophobicContact CB-CD2 3.7Å; N490-F496 HydrophobicContact CB-CE2 4.28Å; N490-S551 PolarHBondContact N-O 2.86Å; N490-N552 WeakPolarHBondContact O-CA 3.31Å; N490-N552 PolarHBondContact O-OD1 2.83Å | ||
| 491 | P | 78.2 | Confident | 84.6 | Confident | 38 Ų | 38 | 27.7 Ų | 27.7 | 25% | 0.247 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46.8 | -39.9 | -178.1 | -30.9 | 29 | 0 | 0 | 0 | 116.9 | S489 P553 V554 | S489-P491 WeakPolarHBondContact OG-CD 3.38Å; P491-P553 HydrophobicContact CB-CG 4.38Å; P491-V554 WeakPolarHBondContact O-CB 3.32Å; P491-V554 VanDerWaalsContact O-CG2 3.3Å; P491-V554 WeakPolarHBondContact O-CG2 3.41Å; P491-V554 PolarHBondContact O-N 2.89Å; P491-V554 VanDerWaalsContact O-N 3.07Å |
| 492 | V | 73.8 | Confident | 85.4 | Confident | 84 Ų | 84 | 26.7 Ų | 26.7 | 51% | 0.509 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -129.2 | 43.5 | -169.2 | -160.6 | 0 | 0 | 0 | 0 | 112.2 | P429 N490 | P429-V492 WeakPolarHBondContact O-CB 2.88Å; P429-V492 WeakPolarHBondContact O-CG2 3.01Å; P429-V492 PolarHBondContact O-N 3.44Å; P429-V492 VanDerWaalsContact O-N 3.12Å; N490-V492 VanDerWaalsContact C-N 3.29Å; N490-V492 PolarHBondContact O-N 3.32Å; N490-V492 VanDerWaalsContact O-N 3.17Å |
| 493 | G | 71.5 | Confident | 85.9 | Confident | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | trans | -119.4 | 137.2 | -174 | 0 | 0 | 0 | 0 | 0 | 116.8 | G431 N490 T495 N552 G555 | G431-G493 WeakPolarHBondContact O-CA 3.39Å; N490-G493 WeakPolarHBondContact ND2-CA 3.38Å; N490-G493 WeakPolarHBondContact OD1-CA 3.08Å; N490-G493 PolarHBondContact OD1-N 3.12Å; G493-T495 PolarHBondContact O-N 3.17Å; G493-N552 PolarHBondContact O-ND2 2.94Å; G493-N552 VanDerWaalsContact O-ND2 3.11Å; G493-N552 PolarHBondContact O-OD1 3.39Å; G493-G555 WeakPolarHBondContact O-CA 3.3Å | ||
| 494 | S | 81.7 | Confident | 86 | Confident | 49 Ų | 49 | 25.2 Ų | 25.2 | 34% | 0.343 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -60.7 | -38.8 | -178.8 | 39.4 | 0 | 0 | 0 | 0 | 113.7 | S432 S556 T557 | S432-S494 WeakPolarHBondContact CA-OG 3.35Å; S432-S494 WeakPolarHBondContact CB-OG 3.29Å; S432-S494 PolarHBondContact O-N 3.16Å; S432-S494 VanDerWaalsContact O-N 3.14Å; S432-S494 PolarHBondContact O-OG 2.84Å; S494-S556 WeakPolarHBondContact CA-OG 3.25Å; S494-S556 PolarHBondContact O-N 3.05Å; S494-S556 PolarHBondContact O-OG 3.18Å; S494-T557 PolarHBondContact O-N 3.31Å |
| 495 | T | 84.5 | Confident | 86 | Confident | 41 Ų | 41 | 27.2 Ų | 27.2 | 25% | 0.252 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 127.3 | -175 | -51.3 | 0 | 0 | 0 | 0 | 110.9 | S432 T433 F434 G493 T557 | S432-T495 PolarHBondContact O-N 2.58Å; T433-T495 WeakPolarHBondContact CA-O 3.46Å; F434-T495 PolarHBondContact N-O 2.95Å; G493-T495 PolarHBondContact O-N 3.17Å; T495-T557 WeakPolarHBondContact CA-O 2.93Å |
| 496 | F | 89.5 | Confident | 85.9 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 123.9 | 176.5 | -179.5 | -79.7 | 0 | 0 | 0 | 110.4 | F434 A488 N490 Q498 A550 N552 T557 F558 N559 | F434-F496 HydrophobicContact CB-CD2 4.16Å; F434-F496 AromaticContact CD1-CD2 3.5Å; F434-F496 HydrophobicContact CD1-CD2 3.5Å; F434-F496 AromaticContact CD1-CE2 3.43Å; F434-F496 HydrophobicContact CD1-CE2 3.43Å; F434-F496 VanDerWaalsContact CD1-CE2 3.43Å; F434-F496 HydrophobicContact CD1-CG 4.28Å; F434-F496 HydrophobicContact CD1-CZ 4.12Å; F434-F496 HydrophobicContact CE1-CD2 4.12Å; F434-F496 AromaticContact CE1-CE2 3.55Å; F434-F496 HydrophobicContact CE1-CE2 3.55Å; F434-F496 AromaticContact CE1-CZ 3.99Å; F434-F496 HydrophobicContact CE1-CZ 3.99Å; F434-F496 AromaticContact CG-CD2 3.96Å; F434-F496 HydrophobicContact CG-CD2 3.96Å; F434-F496 HydrophobicContact CG-CE2 4.14Å; F434-F496 HydrophobicContact CZ-CE2 4.29Å; A488-F496 HydrophobicContact CB-CE2 3.82Å; A488-F496 HydrophobicContact CB-CZ 3.51Å; N490-F496 HydrophobicContact CB-CD2 3.7Å; N490-F496 HydrophobicContact CB-CE2 4.28Å; F496-Q498 HydrophobicContact CE1-CB 3.67Å; F496-Q498 HydrophobicContact CZ-CB 4.16Å; F496-A550 HydrophobicContact CE1-CB 3.4Å; F496-A550 VanDerWaalsContact CE1-CB 3.4Å; F496-A550 HydrophobicContact CZ-CB 3.39Å; F496-N552 HydrophobicContact CB-CB 4.08Å; F496-N552 VanDerWaalsContact CB-ND2 3.34Å; F496-N552 WeakPolarHBondContact CB-ND2 3.34Å; F496-N552 HydrophobicContact CD2-CB 4.33Å; F496-N552 HydrophobicContact CG-CB 4.23Å; F496-T557 PolarHBondContact N-O 2.83Å; F496-F558 HydrophobicContact CB-CD2 4.14Å; F496-F558 AromaticContact CD1-CD2 3.49Å; F496-F558 HydrophobicContact CD1-CD2 3.49Å; F496-F558 VanDerWaalsContact CD1-CD2 3.49Å; F496-F558 AromaticContact CD1-CE2 3.42Å; F496-F558 HydrophobicContact CD1-CE2 3.42Å; F496-F558 VanDerWaalsContact CD1-CE2 3.42Å; F496-F558 HydrophobicContact CD1-CG 4.25Å; F496-F558 HydrophobicContact CD1-CZ 4.09Å; F496-F558 HydrophobicContact CE1-CD2 4.11Å; F496-F558 AromaticContact CE1-CE2 3.53Å; F496-F558 HydrophobicContact CE1-CE2 3.53Å; F496-F558 AromaticContact CE1-CZ 3.95Å; F496-F558 HydrophobicContact CE1-CZ 3.95Å; F496-F558 AromaticContact CG-CD2 3.93Å; F496-F558 HydrophobicContact CG-CD2 3.93Å; F496-F558 HydrophobicContact CG-CE2 4.11Å; F496-F558 HydrophobicContact CZ-CE2 4.26Å; F496-N559 PolarHBondContact O-N 2.7Å |
| 497 | N | 89.9 | Confident | 85.5 | Confident | 47 Ų | 47 | 27 Ų | 27 | 25% | 0.251 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 123.8 | 175.6 | -57.1 | -52.3 | 0 | 0 | 0 | 109.9 | F434 N435 Q436 N559 | F434-N497 PolarHBondContact O-N 2.67Å; N435-N497 WeakPolarHBondContact CA-O 3.41Å; N435-N497 WeakPolarHBondContact OD1-CB 3.35Å; N435-N497 PolarHBondContact OD1-ND2 2.87Å; Q436-N497 PolarHBondContact N-O 3.34Å; N497-N559 WeakPolarHBondContact CA-O 3.48Å; N497-N559 PolarHBondContact OD1-ND2 3.2Å |
| 498 | Q | 90.3 | Very high | 84.7 | Confident | 7 Ų | 7 | 25 Ų | 25 | 3% | 0.033 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 125.3 | 170.9 | -178.2 | -175.5 | 63.6 | 0 | 0 | 109.9 | Q436 F496 S549 A550 N559 Q560 G561 | Q436-Q498 CarbonylContact O-C 3.59Å; Q436-Q498 WeakPolarHBondContact O-CA 3.4Å; F496-Q498 HydrophobicContact CE1-CB 3.67Å; F496-Q498 HydrophobicContact CZ-CB 4.16Å; Q498-S549 PolarHBondContact NE2-O 2.85Å; Q498-S549 VanDerWaalsContact NE2-O 3.13Å; Q498-A550 VanDerWaalsContact OE1-CB 3.27Å; Q498-N559 PolarHBondContact N-O 3.49Å; Q498-Q560 CarbonylContact O-C 3.53Å; Q498-Q560 WeakPolarHBondContact O-CA 3.33Å; Q498-G561 PolarHBondContact O-N 2.86Å |
| 499 | G | 88 | Confident | 83.9 | Confident | 30 Ų | 30 | 24.7 Ų | 24.7 | 31% | 0.309 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 135.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q436 F438 | Q436-G499 PolarHBondContact O-N 2.69Å; F438-G499 PolarHBondContact N-O 3.12Å |
| 500 | F | 91.7 | Very high | 83.7 | Confident | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.009 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 121.2 | 171.4 | -176.3 | -81.1 | 0 | 0 | 0 | 109.6 | F438 V484 V486 V546 V548 G561 F562 T563 | F438-F500 HydrophobicContact CB-CD2 4.01Å; F438-F500 AromaticContact CD1-CD2 3.46Å; F438-F500 HydrophobicContact CD1-CD2 3.46Å; F438-F500 VanDerWaalsContact CD1-CD2 3.46Å; F438-F500 AromaticContact CD1-CE2 3.24Å; F438-F500 HydrophobicContact CD1-CE2 3.24Å; F438-F500 HydrophobicContact CD1-CG 4.26Å; F438-F500 AromaticContact CD1-CZ 3.89Å; F438-F500 HydrophobicContact CD1-CZ 3.89Å; F438-F500 HydrophobicContact CE1-CD2 4.18Å; F438-F500 AromaticContact CE1-CE2 3.48Å; F438-F500 HydrophobicContact CE1-CE2 3.48Å; F438-F500 VanDerWaalsContact CE1-CE2 3.48Å; F438-F500 AromaticContact CE1-CZ 3.84Å; F438-F500 HydrophobicContact CE1-CZ 3.84Å; F438-F500 AromaticContact CG-CD2 3.86Å; F438-F500 HydrophobicContact CG-CD2 3.86Å; F438-F500 AromaticContact CG-CE2 3.92Å; F438-F500 HydrophobicContact CG-CE2 3.92Å; F438-F500 HydrophobicContact CZ-CE2 4.3Å; F438-F500 CarbonylContact O-C 3.55Å; F438-F500 WeakPolarHBondContact O-CA 2.84Å; V484-F500 HydrophobicContact CB-CE2 4.46Å; V484-F500 HydrophobicContact CG1-CE2 3.64Å; V484-F500 HydrophobicContact CG1-CZ 4.13Å; V486-F500 HydrophobicContact CG2-CD2 3.94Å; V486-F500 HydrophobicContact CG2-CE2 4.01Å; F500-V546 HydrophobicContact CE1-CG1 3.88Å; F500-V546 HydrophobicContact CE2-CG1 3.83Å; F500-V546 HydrophobicContact CZ-CG1 3.43Å; F500-V546 VanDerWaalsContact CZ-CG1 3.43Å; F500-V546 HydrophobicContact CZ-CG2 4.45Å; F500-V548 HydrophobicContact CB-CG2 4.3Å; F500-V548 HydrophobicContact CD2-CG2 3.73Å; F500-V548 HydrophobicContact CE2-CG2 4.21Å; F500-V548 HydrophobicContact CG-CG2 3.98Å; F500-G561 PolarHBondContact N-O 3.14Å; F500-F562 HydrophobicContact CB-CD2 4Å; F500-F562 AromaticContact CD1-CD2 3.45Å; F500-F562 HydrophobicContact CD1-CD2 3.45Å; F500-F562 VanDerWaalsContact CD1-CD2 3.45Å; F500-F562 AromaticContact CD1-CE2 3.24Å; F500-F562 HydrophobicContact CD1-CE2 3.24Å; F500-F562 HydrophobicContact CD1-CG 4.27Å; F500-F562 AromaticContact CD1-CZ 3.91Å; F500-F562 HydrophobicContact CD1-CZ 3.91Å; F500-F562 HydrophobicContact CE1-CD2 4.17Å; F500-F562 AromaticContact CE1-CE2 3.46Å; F500-F562 HydrophobicContact CE1-CE2 3.46Å; F500-F562 VanDerWaalsContact CE1-CE2 3.46Å; F500-F562 AromaticContact CE1-CZ 3.85Å; F500-F562 HydrophobicContact CE1-CZ 3.85Å; F500-F562 AromaticContact CG-CD2 3.85Å; F500-F562 HydrophobicContact CG-CD2 3.85Å; F500-F562 AromaticContact CG-CE2 3.92Å; F500-F562 HydrophobicContact CG-CE2 3.92Å; F500-F562 HydrophobicContact CZ-CE2 4.29Å; F500-F562 WeakPolarHBondContact O-CA 3.37Å; F500-T563 PolarHBondContact O-N 3.11Å |
| 501 | T | 91.1 | Very high | 83.5 | Confident | 59 Ų | 59 | 26.5 Ų | 26.5 | 36% | 0.362 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 125.9 | 176.7 | -56.1 | 0 | 0 | 0 | 0 | 109.7 | F438 T439 Y440 T563 | F438-T501 PolarHBondContact O-N 3.06Å; T439-T501 WeakPolarHBondContact CA-O 3.44Å; Y440-T501 PolarHBondContact N-O 3.35Å; T501-T563 WeakPolarHBondContact CA-O 3.25Å |
| 502 | Y | 87.7 | Confident | 83.9 | Confident | 2 Ų | 2 | 26.2 Ų | 26.2 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 117.5 | 167.8 | 179.9 | -78.2 | 0 | 0 | 0 | 107.9 | Y440 L482 V504 K541 T563 Y564 G565 | Y440-Y502 AromaticContact CD1-CD2 3.42Å; Y440-Y502 HydrophobicContact CD1-CD2 3.42Å; Y440-Y502 VanDerWaalsContact CD1-CD2 3.42Å; Y440-Y502 AromaticContact CD1-CE2 3.2Å; Y440-Y502 HydrophobicContact CD1-CE2 3.2Å; Y440-Y502 HydrophobicContact CD1-CG 4.21Å; Y440-Y502 AromaticContact CD1-CZ 3.84Å; Y440-Y502 HydrophobicContact CE1-CD2 4.15Å; Y440-Y502 AromaticContact CE1-CE2 3.44Å; Y440-Y502 HydrophobicContact CE1-CE2 3.44Å; Y440-Y502 VanDerWaalsContact CE1-CE2 3.44Å; Y440-Y502 AromaticContact CE1-CZ 3.78Å; Y440-Y502 AromaticContact CG-CD2 3.83Å; Y440-Y502 HydrophobicContact CG-CD2 3.83Å; Y440-Y502 AromaticContact CG-CE2 3.9Å; Y440-Y502 HydrophobicContact CG-CE2 3.9Å; Y440-Y502 CarbonylContact O-C 3.57Å; Y440-Y502 WeakPolarHBondContact O-CA 3.3Å; L482-Y502 HydrophobicContact CD2-CD2 4.31Å; L482-Y502 HydrophobicContact CD2-CE2 3.54Å; Y502-V504 HydrophobicContact CE1-CG2 3.74Å; Y502-V504 WeakPolarHBondContact OH-CG2 3.45Å; Y502-K541 PolarHBondContact OH-NZ 2.68Å; Y502-T563 PolarHBondContact N-O 3.04Å; Y502-Y564 AromaticContact CD1-CD2 3.43Å; Y502-Y564 HydrophobicContact CD1-CD2 3.43Å; Y502-Y564 VanDerWaalsContact CD1-CD2 3.43Å; Y502-Y564 AromaticContact CD1-CE2 3.2Å; Y502-Y564 HydrophobicContact CD1-CE2 3.2Å; Y502-Y564 HydrophobicContact CD1-CG 4.26Å; Y502-Y564 AromaticContact CD1-CZ 3.86Å; Y502-Y564 HydrophobicContact CE1-CD2 4.16Å; Y502-Y564 AromaticContact CE1-CE2 3.44Å; Y502-Y564 HydrophobicContact CE1-CE2 3.44Å; Y502-Y564 VanDerWaalsContact CE1-CE2 3.44Å; Y502-Y564 AromaticContact CE1-CZ 3.82Å; Y502-Y564 AromaticContact CG-CD2 3.87Å; Y502-Y564 HydrophobicContact CG-CD2 3.87Å; Y502-Y564 AromaticContact CG-CE2 3.93Å; Y502-Y564 HydrophobicContact CG-CE2 3.93Å; Y502-Y564 CarbonylContact O-C 3.51Å; Y502-Y564 WeakPolarHBondContact O-CA 3.49Å; Y502-G565 PolarHBondContact O-N 3.1Å |
| 503 | G | 87.7 | Confident | 84.4 | Confident | 20 Ų | 20 | 22.2 Ų | 22.2 | 21% | 0.206 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 137.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y440 G441 V442 G565 | Y440-G503 PolarHBondContact O-N 3.36Å; G441-G503 WeakPolarHBondContact CA-O 3.31Å; V442-G503 PolarHBondContact N-O 2.74Å; V442-G503 VanDerWaalsContact N-O 3.15Å; G503-G565 WeakPolarHBondContact CA-O 3.36Å |
| 504 | V | 86 | Confident | 85.1 | Confident | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 127.2 | 161.9 | 177.8 | 0 | 0 | 0 | 0 | 106.3 | V442 F475 Y502 F537 G565 V566 T567 | V442-V504 HydrophobicContact CB-CG2 4.4Å; V442-V504 CarbonylContact O-C 3.58Å; V442-V504 VanDerWaalsContact O-CA 3.29Å; V442-V504 WeakPolarHBondContact O-CA 3.09Å; F475-V504 HydrophobicContact CE1-CG1 3.76Å; F475-V504 HydrophobicContact CE2-CG1 4Å; F475-V504 HydrophobicContact CZ-CG1 3.32Å; Y502-V504 HydrophobicContact CE1-CG2 3.74Å; Y502-V504 WeakPolarHBondContact OH-CG2 3.45Å; V504-F537 HydrophobicContact CG1-CE2 3.92Å; V504-F537 HydrophobicContact CG1-CZ 4.17Å; V504-G565 PolarHBondContact N-O 2.9Å; V504-G565 VanDerWaalsContact N-O 3.15Å; V504-V566 HydrophobicContact CB-CG2 4.37Å; V504-V566 CarbonylContact O-C 3.59Å; V504-V566 VanDerWaalsContact O-CA 3.29Å; V504-V566 WeakPolarHBondContact O-CA 3.47Å; V504-T567 PolarHBondContact O-N 2.98Å |
| 505 | T | 87 | Confident | 85.2 | Confident | 47 Ų | 47 | 22.4 Ų | 22.4 | 29% | 0.288 | 14% | 0.142 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 128.5 | 177.4 | -60.5 | 0 | 0 | 0 | 0 | 107.3 | V442 T443 D444 T567 | V442-T505 PolarHBondContact O-N 2.89Å; T443-T505 WeakPolarHBondContact CA-O 3.46Å; D444-T505 PolarHBondContact N-O 2.93Å; T505-T567 WeakPolarHBondContact CA-O 3.37Å |
| 506 | D | 85.7 | Confident | 85.4 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | trans | -114.4 | 140.9 | 166.2 | -170.1 | 16 | 0 | 0 | 0 | 107.3 | F475 F537 T567 T569 | F475-D506 HydrophobicContact CB-CB 4.12Å; F475-D506 VanDerWaalsContact CB-CG 3.41Å; F475-D506 WeakPolarHBondContact CB-OD2 3.49Å; F475-D506 HydrophobicContact CD2-CB 4.42Å; F475-D506 HydrophobicContact CG-CB 4.3Å; D506-F537 HydrophobicContact CB-CD2 3.61Å; D506-F537 HydrophobicContact CB-CE2 4.1Å; D506-T567 PolarHBondContact N-O 2.85Å; D506-T569 PolarHBondContact O-N 3.29Å | ||
| 507 | T | 83 | Confident | 85.1 | Confident | 47 Ų | 47 | 23.4 Ų | 23.4 | 29% | 0.288 | 15% | 0.148 | S | C | . | . | trans | -147.4 | 101.2 | -177.6 | -58 | 0 | 0 | 0 | 0 | 106.6 | D444 A446 | D444-T507 PolarHBondContact O-N 3.1Å; A446-T507 WeakPolarHBondContact CB-O 3.2Å; A446-T507 PolarHBondContact N-O 2.8Å | ||
| 508 | A | 73.9 | Confident | 84.9 | Confident | 5 Ų | 5 | 23.8 Ų | 23.8 | 4% | 0.041 | 15% | 0.152 | C | C | . | . | P | Polyproline II helix | trans | -74.6 | 166.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | D535 T569 P571 | A508-D535 HydrophobicContact CB-CB 4.12Å; A508-D535 WeakPolarHBondContact CB-OD2 3.42Å; A508-T569 WeakPolarHBondContact CB-O 3.25Å; A508-T569 PolarHBondContact N-O 3.43Å; A508-P571 HydrophobicContact CB-CB 4.06Å; A508-P571 HydrophobicContact CB-CG 4.1Å |
| 509 | P | 70.2 | Confident | 84.3 | Confident | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.006 | 15% | 0.151 | C | C | . | . | P | Polyproline II helix | trans | -91.6 | 131.9 | -164.5 | 29 | -26.8 | 0 | 0 | 0 | 114.2 | A446 P447 V511 P571 | A446-P509 HydrophobicContact CB-CB 3.94Å; A446-P509 VanDerWaalsContact CB-CD 3.44Å; A446-P509 HydrophobicContact CB-CG 3.86Å; P447-P509 WeakPolarHBondContact O-CB 3.43Å; P509-V511 VanDerWaalsContact O-CG2 3.31Å; P509-V511 WeakPolarHBondContact O-CG2 3.24Å; P509-V511 PolarHBondContact O-N 3.04Å; P509-P571 WeakPolarHBondContact O-CB 2.87Å |
| 510 | D | 81 | Confident | 83.7 | Confident | 73 Ų | 73 | 24.2 Ų | 24.2 | 39% | 0.39 | 15% | 0.151 | S | C | . | . | P | Polyproline II helix | trans | -65.9 | 131.5 | 173.4 | -75 | -10.6 | 0 | 0 | 0 | 110.3 | D448 V449 D572 | D448-D510 WeakPolarHBondContact CA-O 3.2Å; D448-D510 WeakPolarHBondContact OD1-CB 3.44Å; D448-D510 PolarHBondContact OD1-N 3.46Å; V449-D510 PolarHBondContact N-O 2.92Å; D510-D572 CarbonylContact C-O 3.57Å; D510-D572 WeakPolarHBondContact CA-O 2.98Å; D510-D572 WeakPolarHBondContact OD1-CB 3.37Å; D510-D572 PolarHBondContact OD1-N 2.94Å |
| 511 | V | 80.9 | Confident | 82.4 | Confident | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.012 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 116.9 | -175.9 | -174.3 | 0 | 0 | 0 | 0 | 110.7 | V449 T469 T471 P509 T531 T533 D572 V573 S574 | V449-V511 HydrophobicContact CB-CG2 4.44Å; V449-V511 WeakPolarHBondContact O-CA 3.4Å; T469-V511 HydrophobicContact CG2-CG1 3.89Å; T471-V511 HydrophobicContact CG2-CG1 4.23Å; T471-V511 HydrophobicContact CG2-CG2 3.57Å; T471-V511 WeakPolarHBondContact OG1-CG2 3.44Å; P509-V511 VanDerWaalsContact O-CG2 3.31Å; P509-V511 WeakPolarHBondContact O-CG2 3.24Å; P509-V511 PolarHBondContact O-N 3.04Å; V511-T531 HydrophobicContact CG1-CG2 3.85Å; V511-T533 HydrophobicContact CB-CG2 3.86Å; V511-T533 HydrophobicContact CG1-CG2 4.12Å; V511-T533 HydrophobicContact CG2-CG2 3.53Å; V511-D572 PolarHBondContact N-O 3.11Å; V511-V573 HydrophobicContact CB-CG1 4.38Å; V511-V573 HydrophobicContact CB-CG2 4.29Å; V511-V573 CarbonylContact O-C 3.6Å; V511-V573 WeakPolarHBondContact O-CA 3.46Å; V511-S574 PolarHBondContact O-N 3.27Å |
| 512 | S | 86.7 | Confident | 81.3 | Confident | 33 Ų | 33 | 24.1 Ų | 24.1 | 23% | 0.231 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 120.5 | 173.3 | 65 | 0 | 0 | 0 | 0 | 111.6 | V449 S450 T451 S574 | V449-S512 PolarHBondContact O-N 2.94Å; S450-S512 CarbonylContact C-O 3.53Å; S450-S512 WeakPolarHBondContact CA-O 3.43Å; S450-S512 WeakPolarHBondContact CA-OG 3.36Å; S450-S512 WeakPolarHBondContact CB-OG 3.44Å; T451-S512 PolarHBondContact N-O 3.4Å; S512-S574 WeakPolarHBondContact CA-O 3.43Å; S512-S574 WeakPolarHBondContact CA-OG 3.47Å; S512-S574 WeakPolarHBondContact CB-OG 3.47Å |
| 513 | T | 85.1 | Confident | 80.5 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 107.5 | 174.3 | -60.9 | 0 | 0 | 0 | 0 | 109.5 | T451 T467 T469 T529 S574 T575 N576 | T451-T513 CarbonylContact O-C 3.6Å; T451-T513 WeakPolarHBondContact O-CA 3.37Å; T467-T513 HydrophobicContact CG2-CG2 4.04Å; T469-T513 PolarHBondContact OG1-OG1 2.94Å; T513-T529 HydrophobicContact CG2-CG2 4.1Å; T513-S574 PolarHBondContact N-O 3.23Å; T513-T575 WeakPolarHBondContact O-CA 3.27Å; T513-N576 PolarHBondContact O-N 2.95Å |
| 514 | N | 86.6 | Confident | 80.1 | Confident | 50 Ų | 50 | 28.7 Ų | 28.7 | 27% | 0.267 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 116.4 | -179.9 | -57.3 | -57 | 0 | 0 | 0 | 110.9 | T451 N452 S453 N576 | T451-N514 PolarHBondContact O-N 2.82Å; N452-N514 CarbonylContact C-O 3.52Å; N452-N514 WeakPolarHBondContact CA-O 3.41Å; N452-N514 WeakPolarHBondContact OD1-CB 3.45Å; N452-N514 PolarHBondContact OD1-ND2 3.42Å; S453-N514 PolarHBondContact N-O 3Å; N514-N576 WeakPolarHBondContact CA-O 3.4Å; N514-N576 WeakPolarHBondContact OD1-CB 3.49Å; N514-N576 PolarHBondContact OD1-ND2 3.18Å |
| 515 | S | 83.7 | Confident | 79.9 | Confident | 4 Ų | 4 | 28.7 Ų | 28.7 | 3% | 0.028 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 118.7 | -179.2 | -72.4 | 0 | 0 | 0 | 0 | 111.1 | S453 N576 S577 T578 | S453-S515 CarbonylContact O-C 3.58Å; S453-S515 WeakPolarHBondContact O-CA 3.48Å; S515-N576 PolarHBondContact N-O 3.4Å; S515-S577 CarbonylContact O-C 3.58Å; S515-S577 WeakPolarHBondContact O-CA 3.38Å; S515-T578 PolarHBondContact O-N 2.87Å |
| 516 | T | 87.4 | Confident | 79.8 | Confident | 59 Ų | 59 | 28.8 Ų | 28.8 | 36% | 0.362 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 111.8 | 171.8 | -59.7 | 0 | 0 | 0 | 0 | 109.4 | S453 T454 I455 T578 | S453-T516 PolarHBondContact O-N 2.9Å; T454-T516 CarbonylContact C-O 3.59Å; T454-T516 WeakPolarHBondContact CA-O 3.37Å; I455-T516 PolarHBondContact N-O 2.9Å; T516-T578 CarbonylContact C-O 3.43Å; T516-T578 WeakPolarHBondContact CA-O 3.32Å |
| 517 | I | 84.5 | Confident | 79.7 | Confident | 2 Ų | 2 | 28.8 Ų | 28.8 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 121.7 | -175.8 | -56.6 | 175.2 | 0 | 0 | 0 | 109.7 | I455 F463 F525 T527 T578 I579 T580 | I455-I517 HydrophobicContact CB-CG1 4.46Å; I455-I517 CarbonylContact O-C 3.55Å; I455-I517 WeakPolarHBondContact O-CA 3.27Å; F463-I517 HydrophobicContact CE1-CG2 3.66Å; F463-I517 HydrophobicContact CZ-CG2 3.58Å; I517-F525 HydrophobicContact CG2-CE2 4.23Å; I517-F525 HydrophobicContact CG2-CZ 4.02Å; I517-T527 HydrophobicContact CD1-CG2 3.93Å; I517-T578 PolarHBondContact N-O 2.94Å; I517-I579 HydrophobicContact CB-CG1 4.37Å; I517-I579 WeakPolarHBondContact O-CA 3.43Å; I517-T580 PolarHBondContact O-N 2.91Å |
| 518 | T | 84.9 | Confident | 79.7 | Confident | 55 Ų | 55 | 28.4 Ų | 28.4 | 34% | 0.337 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 119.3 | 173.4 | -58.6 | 0 | 0 | 0 | 0 | 110.1 | I455 T456 A457 T580 | I455-T518 PolarHBondContact O-N 2.78Å; T456-T518 CarbonylContact C-O 3.6Å; T456-T518 WeakPolarHBondContact CA-O 3.35Å; A457-T518 PolarHBondContact N-O 3.37Å; T518-T580 WeakPolarHBondContact CA-O 3.47Å |
| 519 | A | 78.1 | Confident | 80 | Confident | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.008 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 135.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A457 T522 F525 T580 A581 S582 | A457-A519 VanDerWaalsContact O-CA 3.27Å; A457-A519 WeakPolarHBondContact O-CA 3.43Å; A519-T522 HydrophobicContact CB-CG2 4.15Å; A519-F525 HydrophobicContact CB-CD2 3.82Å; A519-F525 HydrophobicContact CB-CE2 3.51Å; A519-T580 PolarHBondContact N-O 2.93Å; A519-A581 WeakPolarHBondContact O-CA 3.48Å; A519-S582 PolarHBondContact O-N 3Å; A519-S582 VanDerWaalsContact O-N 3.09Å |
| 520 | S | 74 | Confident | 80.5 | Confident | 45 Ų | 45 | 29.6 Ų | 29.6 | 32% | 0.315 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 133.7 | 177.6 | 50 | 0 | 0 | 0 | 0 | 111.9 | A457 S458 A459 S582 | A457-S520 PolarHBondContact O-N 2.92Å; S458-S520 WeakPolarHBondContact CB-OG 3.49Å; A459-S520 PolarHBondContact N-O 2.93Å; S520-S582 WeakPolarHBondContact CA-OG 3.07Å; S520-S582 WeakPolarHBondContact CB-OG 3.42Å |
| 521 | A | 66 | Low | 80.5 | Confident | 57 Ų | 57 | 26.1 Ų | 26.1 | 47% | 0.471 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 58.2 | 70.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | T460 S582 | T460-A521 PolarHBondContact N-O 3.41Å; T460-A521 VanDerWaalsContact N-O 3.14Å; A521-S582 PolarHBondContact N-O 3.26Å |
| 522 | T | 66.6 | Low | 80.4 | Confident | 2 Ų | 2 | 27.6 Ų | 27.6 | 1% | 0.012 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 138.2 | -177.5 | 68.6 | 0 | 0 | 0 | 0 | 113.6 | T460 A519 A583 T584 | T460-T522 WeakPolarHBondContact O-CA 3.47Å; T460-T522 WeakPolarHBondContact OG1-CG2 3.35Å; A519-T522 HydrophobicContact CB-CG2 4.15Å; T522-A583 PolarHBondContact N-O 2.9Å; T522-T584 WeakPolarHBondContact O-CA 3.42Å; T522-T584 VanDerWaalsContact O-CG2 3.24Å; T522-T584 WeakPolarHBondContact O-CG2 3.48Å; T522-T584 WeakPolarHBondContact OG1-CG2 3.4Å |
| 523 | T | 71.6 | Confident | 80 | Confident | 61 Ų | 61 | 26 Ų | 26 | 37% | 0.374 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | -49.1 | 179.4 | 53.2 | 0 | 0 | 0 | 0 | 112.3 | T460 T461 T585 N586 | T460-T523 PolarHBondContact O-N 3.28Å; T461-T523 PolarHBondContact O-N 3.19Å; T461-T523 PolarHBondContact O-OG1 3.43Å; T523-T585 PolarHBondContact O-N 2.86Å; T523-T585 PolarHBondContact O-OG1 2.89Å; T523-N586 PolarHBondContact O-N 3.39Å; T523-N586 VanDerWaalsContact O-N 3.11Å |
| 524 | N | 79.1 | Confident | 79.7 | Confident | 57 Ų | 57 | 28.5 Ų | 28.5 | 31% | 0.305 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 123.3 | 175.9 | -58.7 | -53.8 | 0 | 0 | 0 | 109.9 | T461 N462 F463 N586 | T461-N524 PolarHBondContact O-N 3.36Å; N462-N524 PolarHBondContact OD1-ND2 3.29Å; F463-N524 PolarHBondContact N-O 2.89Å; N524-N586 PolarHBondContact OD1-ND2 3Å |
| 525 | F | 82.2 | Confident | 79.2 | Confident | 1 Ų | 1 | 26.5 Ų | 26.5 | 0% | 0.004 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 117.2 | 178.5 | -177.3 | -86.9 | 0 | 0 | 0 | 109.6 | F463 I517 A519 T527 I579 A581 T584 N586 F587 T588 | F463-F525 HydrophobicContact CB-CD2 4.12Å; F463-F525 AromaticContact CD1-CD2 3.42Å; F463-F525 HydrophobicContact CD1-CD2 3.42Å; F463-F525 VanDerWaalsContact CD1-CD2 3.42Å; F463-F525 AromaticContact CD1-CE2 3.28Å; F463-F525 HydrophobicContact CD1-CE2 3.28Å; F463-F525 HydrophobicContact CD1-CG 4.28Å; F463-F525 HydrophobicContact CD1-CZ 4.07Å; F463-F525 HydrophobicContact CE1-CD2 4.06Å; F463-F525 AromaticContact CE1-CE2 3.41Å; F463-F525 HydrophobicContact CE1-CE2 3.41Å; F463-F525 VanDerWaalsContact CE1-CE2 3.41Å; F463-F525 AromaticContact CE1-CZ 3.93Å; F463-F525 HydrophobicContact CE1-CZ 3.93Å; F463-F525 AromaticContact CG-CD2 3.98Å; F463-F525 HydrophobicContact CG-CD2 3.98Å; F463-F525 HydrophobicContact CG-CE2 4.11Å; F463-F525 HydrophobicContact CZ-CE2 4.34Å; I517-F525 HydrophobicContact CG2-CE2 4.23Å; I517-F525 HydrophobicContact CG2-CZ 4.02Å; A519-F525 HydrophobicContact CB-CD2 3.82Å; A519-F525 HydrophobicContact CB-CE2 3.51Å; F525-T527 HydrophobicContact CD1-CG2 4.08Å; F525-T527 HydrophobicContact CE1-CG2 3.24Å; F525-T527 HydrophobicContact CE2-CG2 4.17Å; F525-T527 HydrophobicContact CZ-CG2 3.29Å; F525-I579 HydrophobicContact CE1-CG2 3.7Å; F525-I579 HydrophobicContact CZ-CG2 3.57Å; F525-A581 HydrophobicContact CD2-CB 4.44Å; F525-A581 HydrophobicContact CE2-CB 4.46Å; F525-T584 HydrophobicContact CB-CG2 3.94Å; F525-N586 PolarHBondContact N-O 2.67Å; F525-F587 HydrophobicContact CB-CD2 4.23Å; F525-F587 AromaticContact CD1-CD2 3.41Å; F525-F587 HydrophobicContact CD1-CD2 3.41Å; F525-F587 VanDerWaalsContact CD1-CD2 3.41Å; F525-F587 AromaticContact CD1-CE2 3.28Å; F525-F587 HydrophobicContact CD1-CE2 3.28Å; F525-F587 HydrophobicContact CD1-CG 4.22Å; F525-F587 HydrophobicContact CD1-CZ 4Å; F525-F587 AromaticContact CE1-CD2 3.97Å; F525-F587 HydrophobicContact CE1-CD2 3.97Å; F525-F587 AromaticContact CE1-CE2 3.31Å; F525-F587 HydrophobicContact CE1-CE2 3.31Å; F525-F587 AromaticContact CE1-CZ 3.78Å; F525-F587 HydrophobicContact CE1-CZ 3.78Å; F525-F587 AromaticContact CG-CD2 4Å; F525-F587 HydrophobicContact CG-CD2 4Å; F525-F587 HydrophobicContact CG-CE2 4.14Å; F525-F587 HydrophobicContact CZ-CE2 4.22Å; F525-T588 PolarHBondContact O-N 3.19Å |
| 526 | T | 83.9 | Confident | 78.9 | Confident | 49 Ų | 49 | 27.3 Ų | 27.3 | 30% | 0.301 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 125.5 | 178.2 | -55.8 | 0 | 0 | 0 | 0 | 109.6 | F463 T464 T465 T588 | F463-T526 PolarHBondContact O-N 3Å; T464-T526 VanDerWaalsContact CA-O 3.28Å; T464-T526 WeakPolarHBondContact CA-O 3.48Å; T465-T526 PolarHBondContact N-O 3.02Å; T465-T526 VanDerWaalsContact N-O 3.16Å; T526-T588 VanDerWaalsContact CA-O 3.31Å; T526-T588 WeakPolarHBondContact CA-O 3.36Å |
| 527 | T | 83.4 | Confident | 78.7 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 138.5 | 173 | 63.5 | 0 | 0 | 0 | 0 | 110.1 | F463 T465 I517 F525 T588 T589 T590 | F463-T527 HydrophobicContact CD1-CG2 4.41Å; F463-T527 HydrophobicContact CE1-CG2 4.01Å; T465-T527 VanDerWaalsContact OG1-CG2 3.29Å; T465-T527 WeakPolarHBondContact OG1-CG2 3.41Å; I517-T527 HydrophobicContact CD1-CG2 3.93Å; F525-T527 HydrophobicContact CD1-CG2 4.08Å; F525-T527 HydrophobicContact CE1-CG2 3.24Å; F525-T527 HydrophobicContact CE2-CG2 4.17Å; F525-T527 HydrophobicContact CZ-CG2 3.29Å; T527-T588 PolarHBondContact N-O 2.91Å; T527-T589 CarbonylContact O-C 3.54Å; T527-T589 WeakPolarHBondContact O-CA 3.34Å; T527-T589 WeakPolarHBondContact OG1-CG2 3.41Å; T527-T589 PolarHBondContact OG1-OG1 2.84Å; T527-T589 VanDerWaalsContact OG1-OG1 3.1Å; T527-T590 PolarHBondContact O-N 3.14Å |
| 528 | T | 83.1 | Confident | 78.5 | Confident | 39 Ų | 39 | 26.8 Ų | 26.8 | 24% | 0.239 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 117.3 | 176.2 | -55.5 | 0 | 0 | 0 | 0 | 108.2 | T465 T466 T467 T590 | T465-T528 PolarHBondContact O-N 2.91Å; T466-T528 CarbonylContact C-O 3.48Å; T466-T528 VanDerWaalsContact CA-O 3.28Å; T466-T528 WeakPolarHBondContact CA-O 3.44Å; T467-T528 PolarHBondContact N-O 3.24Å; T528-T590 WeakPolarHBondContact CA-O 3.41Å |
| 529 | T | 81.5 | Confident | 78.2 | Confident | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.006 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 117.4 | 169.5 | -54.3 | 0 | 0 | 0 | 0 | 106.7 | T467 T513 T575 T590 T591 T592 | T467-T529 CarbonylContact O-C 3.51Å; T467-T529 WeakPolarHBondContact O-CA 3.5Å; T513-T529 HydrophobicContact CG2-CG2 4.1Å; T529-T575 HydrophobicContact CG2-CG2 3.89Å; T529-T590 PolarHBondContact N-O 3.27Å; T529-T591 CarbonylContact O-C 3.6Å; T529-T591 VanDerWaalsContact O-CA 3.29Å; T529-T591 WeakPolarHBondContact O-CA 3.45Å; T529-T592 PolarHBondContact O-N 3.15Å |
| 530 | T | 81.3 | Confident | 77.8 | Confident | 30 Ų | 30 | 26 Ų | 26 | 18% | 0.184 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 114.3 | 175.2 | -55.9 | 0 | 0 | 0 | 0 | 107.9 | T467 T468 T469 T592 | T467-T530 PolarHBondContact O-N 3.14Å; T468-T530 CarbonylContact C-O 3.47Å; T468-T530 VanDerWaalsContact CA-O 3.24Å; T468-T530 WeakPolarHBondContact CA-O 3.46Å; T469-T530 PolarHBondContact N-O 3.22Å; T530-T592 CarbonylContact C-O 3.54Å; T530-T592 VanDerWaalsContact CA-O 3.3Å; T530-T592 WeakPolarHBondContact CA-O 3.46Å |
| 531 | T | 80.3 | Confident | 77.3 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 120.5 | 167.1 | -49.6 | 0 | 0 | 0 | 0 | 106 | T469 V511 T533 V573 T575 T592 T593 T594 | T469-T531 CarbonylContact O-C 3.48Å; T469-T531 WeakPolarHBondContact O-CA 3.36Å; V511-T531 HydrophobicContact CG1-CG2 3.85Å; T531-T533 HydrophobicContact CG2-CG2 4.32Å; T531-V573 HydrophobicContact CG2-CG1 3.75Å; T531-T575 WeakPolarHBondContact CB-OG1 3.49Å; T531-T575 PolarHBondContact OG1-OG1 2.84Å; T531-T592 PolarHBondContact N-O 2.93Å; T531-T593 CarbonylContact O-C 3.53Å; T531-T593 VanDerWaalsContact O-C 3.25Å; T531-T593 VanDerWaalsContact O-CA 3.24Å; T531-T593 WeakPolarHBondContact O-CA 3.4Å; T531-T594 PolarHBondContact O-N 3.2Å; T531-T594 PolarHBondContact O-OG1 3.04Å |
| 532 | T | 79.5 | Confident | 76.9 | Confident | 33 Ų | 33 | 23.5 Ų | 23.5 | 20% | 0.202 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 118.2 | 174.3 | -62.3 | 0 | 0 | 0 | 0 | 107.8 | T469 T470 T471 T594 | T469-T532 PolarHBondContact O-N 3.33Å; T470-T532 CarbonylContact C-O 3.55Å; T470-T532 WeakPolarHBondContact CA-O 3.49Å; T470-T532 HydrophobicContact CG2-CG2 4.5Å; T471-T532 PolarHBondContact N-O 3.37Å; T532-T594 CarbonylContact C-O 3.44Å; T532-T594 VanDerWaalsContact CA-O 3.24Å; T532-T594 WeakPolarHBondContact CA-O 3.36Å; T532-T594 WeakPolarHBondContact CA-OG1 3.37Å; T532-T594 WeakPolarHBondContact CB-OG1 3.13Å; T532-T594 WeakPolarHBondContact CG2-OG1 3.29Å; T532-T594 PolarHBondContact OG1-OG1 2.89Å |
| 533 | T | 77.4 | Confident | 77.1 | Confident | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.006 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 133.6 | 170.8 | 71.3 | 0 | 0 | 0 | 0 | 107.7 | T471 V511 T531 V573 T594 T595 T596 | T471-T533 WeakPolarHBondContact O-CA 3.17Å; T471-T533 WeakPolarHBondContact OG1-CA 3.4Å; T471-T533 VanDerWaalsContact OG1-CB 3.25Å; T471-T533 WeakPolarHBondContact OG1-CB 3.45Å; T471-T533 WeakPolarHBondContact OG1-CG2 3.37Å; V511-T533 HydrophobicContact CB-CG2 3.86Å; V511-T533 HydrophobicContact CG1-CG2 4.12Å; V511-T533 HydrophobicContact CG2-CG2 3.53Å; T531-T533 HydrophobicContact CG2-CG2 4.32Å; T533-V573 HydrophobicContact CG2-CG1 4.18Å; T533-V573 HydrophobicContact CG2-CG2 3.5Å; T533-V573 VanDerWaalsContact CG2-CG2 3.5Å; T533-V573 WeakPolarHBondContact OG1-CG2 3.37Å; T533-T594 PolarHBondContact N-O 3.31Å; T533-T595 WeakPolarHBondContact O-CA 3.11Å; T533-T595 WeakPolarHBondContact OG1-CA 3.46Å; T533-T595 WeakPolarHBondContact OG1-CB 3.48Å; T533-T595 VanDerWaalsContact OG1-CG2 3.23Å; T533-T595 WeakPolarHBondContact OG1-CG2 3.49Å; T533-T596 PolarHBondContact O-N 2.92Å |
| 534 | T | 78.2 | Confident | 77.4 | Confident | 52 Ų | 52 | 21.6 Ų | 21.6 | 32% | 0.319 | 14% | 0.137 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 119.4 | 174.6 | -58.7 | 0 | 0 | 0 | 0 | 107.4 | T471 T472 D473 T596 | T471-T534 PolarHBondContact O-N 3.45Å; T472-T534 CarbonylContact C-O 3.56Å; T472-T534 VanDerWaalsContact CA-O 3.27Å; T472-T534 WeakPolarHBondContact CA-O 3.44Å; D473-T534 PolarHBondContact N-O 3.14Å; T534-T596 CarbonylContact C-O 3.53Å; T534-T596 VanDerWaalsContact CA-O 3.3Å; T534-T596 WeakPolarHBondContact CA-O 3.02Å |
| 535 | D | 76.7 | Confident | 77.6 | Confident | 7 Ų | 7 | 21.3 Ų | 21.3 | 4% | 0.037 | 14% | 0.135 | C | C | . | . | trans | -119.5 | 159.2 | 171.8 | -175.7 | 27.4 | 0 | 0 | 0 | 109.3 | A508 P571 T596 | A508-D535 HydrophobicContact CB-CB 4.12Å; A508-D535 WeakPolarHBondContact CB-OD2 3.42Å; D535-P571 HydrophobicContact CB-CG 4.48Å; D535-T596 PolarHBondContact N-O 3.06Å | ||
| 536 | G | 76.7 | Confident | 77.8 | Confident | 22 Ų | 22 | 21.5 Ų | 21.5 | 23% | 0.227 | 14% | 0.136 | C | C | . | . | trans | -167.5 | 108.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | G474 F475 N538 | G474-G536 WeakPolarHBondContact CA-O 3.46Å; F475-G536 PolarHBondContact N-O 2.96Å; G536-N538 PolarHBondContact O-N 3.4Å | ||
| 537 | F | 84.4 | Confident | 78.1 | Confident | 1 Ų | 1 | 21.4 Ų | 21.4 | 0% | 0.004 | 14% | 0.141 | C | C | . | . | trans | -71.3 | 116.8 | 167.4 | -178.1 | -88.5 | 0 | 0 | 0 | 111.9 | F475 V504 D506 Q539 V566 D568 G598 F599 N600 | F475-F537 HydrophobicContact CB-CD2 4.01Å; F475-F537 AromaticContact CD1-CD2 3.46Å; F475-F537 HydrophobicContact CD1-CD2 3.46Å; F475-F537 VanDerWaalsContact CD1-CD2 3.46Å; F475-F537 AromaticContact CD1-CE2 3.31Å; F475-F537 HydrophobicContact CD1-CE2 3.31Å; F475-F537 HydrophobicContact CD1-CG 4.25Å; F475-F537 HydrophobicContact CD1-CZ 4Å; F475-F537 HydrophobicContact CE1-CD2 4.15Å; F475-F537 AromaticContact CE1-CE2 3.51Å; F475-F537 HydrophobicContact CE1-CE2 3.51Å; F475-F537 AromaticContact CE1-CZ 3.92Å; F475-F537 HydrophobicContact CE1-CZ 3.92Å; F475-F537 AromaticContact CG-CD2 3.89Å; F475-F537 HydrophobicContact CG-CD2 3.89Å; F475-F537 HydrophobicContact CG-CE2 4.01Å; F475-F537 HydrophobicContact CZ-CE2 4.34Å; V504-F537 HydrophobicContact CG1-CE2 3.92Å; V504-F537 HydrophobicContact CG1-CZ 4.17Å; D506-F537 HydrophobicContact CB-CD2 3.61Å; D506-F537 HydrophobicContact CB-CE2 4.1Å; F537-Q539 HydrophobicContact CD1-CB 4.42Å; F537-Q539 HydrophobicContact CE1-CB 3.52Å; F537-Q539 HydrophobicContact CZ-CB 3.85Å; F537-V566 HydrophobicContact CE1-CG1 3.87Å; F537-V566 HydrophobicContact CE2-CG1 4.03Å; F537-V566 HydrophobicContact CZ-CG1 3.36Å; F537-D568 HydrophobicContact CB-CB 4.26Å; F537-D568 VanDerWaalsContact CB-CG 3.46Å; F537-D568 WeakPolarHBondContact CB-OD2 3.37Å; F537-D568 HydrophobicContact CD2-CB 4.42Å; F537-D568 HydrophobicContact CG-CB 4.36Å; F537-G598 PolarHBondContact N-O 3.43Å; F537-F599 HydrophobicContact CB-CD2 4.12Å; F537-F599 AromaticContact CD1-CD2 3.57Å; F537-F599 HydrophobicContact CD1-CD2 3.57Å; F537-F599 AromaticContact CD1-CE2 3.45Å; F537-F599 HydrophobicContact CD1-CE2 3.45Å; F537-F599 VanDerWaalsContact CD1-CE2 3.45Å; F537-F599 HydrophobicContact CD1-CG 4.36Å; F537-F599 HydrophobicContact CD1-CZ 4.14Å; F537-F599 HydrophobicContact CE1-CD2 4.23Å; F537-F599 AromaticContact CE1-CE2 3.62Å; F537-F599 HydrophobicContact CE1-CE2 3.62Å; F537-F599 HydrophobicContact CE1-CZ 4.05Å; F537-F599 AromaticContact CG-CD2 3.99Å; F537-F599 HydrophobicContact CG-CD2 3.99Å; F537-F599 HydrophobicContact CG-CE2 4.12Å; F537-F599 HydrophobicContact CZ-CE2 4.4Å; F537-N600 CarbonylContact O-C 3.51Å; F537-N600 WeakPolarHBondContact O-CA 2.87Å; F537-N600 PolarHBondContact O-N 3.35Å | ||
| 538 | N | 80.6 | Confident | 78.4 | Confident | 49 Ų | 49 | 21.5 Ų | 21.5 | 26% | 0.262 | 14% | 0.141 | S | C | . | . | B | Isolated β-bridge | trans | -122.5 | 106.4 | 174.4 | -163.1 | -37 | 0 | 0 | 0 | 112.7 | F475 N476 Q477 G536 S540 N600 | F475-N538 CarbonylContact O-C 3.39Å; F475-N538 WeakPolarHBondContact O-CA 3.49Å; F475-N538 PolarHBondContact O-N 2.52Å; N476-N538 WeakPolarHBondContact CA-O 3.45Å; Q477-N538 PolarHBondContact N-O 3.4Å; G536-N538 PolarHBondContact O-N 3.4Å; N538-S540 PolarHBondContact OD1-N 3.43Å; N538-N600 WeakPolarHBondContact CA-O 3.47Å |
| 539 | Q | 77.6 | Confident | 78.7 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | -111.7 | 84.9 | 170.9 | -170.5 | 179.4 | 103.1 | 0 | 0 | 112 | Q477 F537 K541 N600 Q601 S602 | Q477-Q539 HydrophobicContact CB-CG 4.48Å; F537-Q539 HydrophobicContact CD1-CB 4.42Å; F537-Q539 HydrophobicContact CE1-CB 3.52Å; F537-Q539 HydrophobicContact CZ-CB 3.85Å; Q539-K541 HydrophobicContact CG-CD 4.2Å; Q539-K541 HydrophobicContact CG-CG 4.14Å; Q539-K541 VanDerWaalsContact NE2-NZ 3.19Å; Q539-N600 PolarHBondContact N-O 2.9Å; Q539-Q601 HydrophobicContact CB-CG 4.41Å; Q539-S602 PolarHBondContact O-N 3.44Å | ||
| 540 | S | 69.6 | Low | 79 | Confident | 39 Ų | 39 | 22.1 Ų | 22.1 | 27% | 0.273 | 15% | 0.147 | S | C | . | . | trans | -92.3 | 101 | 176.6 | 57.5 | 0 | 0 | 0 | 0 | 112.3 | Q477 S478 K479 N538 S602 | Q477-S540 PolarHBondContact O-N 3.3Å; S478-S540 WeakPolarHBondContact CA-O 3.47Å; K479-S540 PolarHBondContact N-O 2.97Å; K479-S540 VanDerWaalsContact N-O 3.08Å; N538-S540 PolarHBondContact OD1-N 3.43Å; S540-S602 WeakPolarHBondContact CA-O 3.18Å | ||
| 541 | K | 63.1 | Low | 79.2 | Confident | 5 Ų | 5 | 22.6 Ų | 22.6 | 2% | 0.022 | 15% | 0.152 | C | C | . | . | B | Isolated β-bridge | trans | -117.5 | 132.7 | -179.8 | -61 | -177.1 | 177.2 | 148.4 | 0 | 112.6 | K479 Y502 Q539 S602 K603 S604 | K479-K541 HydrophobicContact CB-CG 4.2Å; K479-K541 WeakPolarHBondContact O-CA 3.44Å; Y502-K541 PolarHBondContact OH-NZ 2.68Å; Q539-K541 HydrophobicContact CG-CD 4.2Å; Q539-K541 HydrophobicContact CG-CG 4.14Å; Q539-K541 VanDerWaalsContact NE2-NZ 3.19Å; K541-S602 PolarHBondContact N-O 3.45Å; K541-S602 VanDerWaalsContact N-O 3.11Å; K541-K603 HydrophobicContact CB-CG 4.26Å; K541-K603 WeakPolarHBondContact O-CA 3.13Å; K541-S604 PolarHBondContact O-N 3.25Å |
| 542 | S | 58.6 | Low | 79.4 | Confident | 44 Ų | 44 | 22.6 Ų | 22.6 | 31% | 0.308 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -70 | -34.6 | 173.8 | 59.8 | 0 | 0 | 0 | 0 | 113.8 | K479 S480 S604 | K479-S542 PolarHBondContact O-N 3.45Å; K479-S542 PolarHBondContact O-OG 2.95Å; S480-S542 WeakPolarHBondContact CA-OG 3.41Å; S480-S542 PolarHBondContact O-OG 3.1Å; S542-S604 WeakPolarHBondContact CA-OG 3.33Å; S542-S604 CarbonylContact O-C 3.58Å; S542-S604 PolarHBondContact O-OG 3.31Å |
| 543 | S | 70.7 | Confident | 79.3 | Confident | 24 Ų | 24 | 22.9 Ų | 22.9 | 17% | 0.168 | 15% | 0.154 | C | C | . | . | trans | -167.1 | 141.1 | 170.1 | 53.1 | 0 | 0 | 0 | 0 | 112 | S481 L482 S605 | S481-S543 WeakPolarHBondContact CA-O 3.34Å; L482-S543 PolarHBondContact N-O 3.42Å; S543-S605 WeakPolarHBondContact CA-O 3.09Å | ||
| 544 | L | 77.3 | Confident | 79.1 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 111.6 | 167.5 | 169.5 | 55.1 | 0 | 0 | 0 | 108.2 | L482 V546 Y564 S605 L606 N607 | L482-L544 HydrophobicContact CB-CD1 3.79Å; L482-L544 HydrophobicContact CD2-CD1 3.5Å; L482-L544 HydrophobicContact CG-CD1 3.43Å; L482-L544 VanDerWaalsContact CG-CD1 3.43Å; L482-L544 WeakPolarHBondContact O-CA 3.45Å; L544-V546 HydrophobicContact CD1-CG2 3.47Å; L544-V546 VanDerWaalsContact CD1-CG2 3.47Å; L544-V546 HydrophobicContact CD2-CG2 4.49Å; L544-V546 HydrophobicContact CG-CG2 3.91Å; L544-Y564 HydrophobicContact CD2-CD2 4.36Å; L544-Y564 HydrophobicContact CD2-CE2 3.58Å; L544-S605 PolarHBondContact N-O 3.22Å; L544-L606 HydrophobicContact CB-CD1 3.81Å; L544-L606 HydrophobicContact CD2-CD1 3.54Å; L544-L606 HydrophobicContact CG-CD1 3.46Å; L544-L606 VanDerWaalsContact CG-CD1 3.46Å; L544-N607 PolarHBondContact O-N 2.93Å |
| 545 | N | 84.5 | Confident | 78.8 | Confident | 51 Ų | 51 | 24.4 Ų | 24.4 | 27% | 0.273 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 114.6 | 177 | -57.6 | -55.3 | 0 | 0 | 0 | 109.1 | L482 N483 V484 N607 | L482-N545 PolarHBondContact O-N 2.93Å; N483-N545 WeakPolarHBondContact CA-O 3.45Å; N483-N545 WeakPolarHBondContact OD1-CB 3.42Å; N483-N545 PolarHBondContact OD1-ND2 3.28Å; V484-N545 PolarHBondContact N-O 3.13Å; N545-N607 WeakPolarHBondContact CA-O 3.18Å; N545-N607 WeakPolarHBondContact OD1-CB 3.44Å; N545-N607 PolarHBondContact OD1-ND2 3.26Å |
| 546 | V | 86.4 | Confident | 79 | Confident | 4 Ų | 4 | 26.3 Ų | 26.3 | 2% | 0.024 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 119.1 | 179.3 | -173.6 | 0 | 0 | 0 | 0 | 108.8 | V484 F500 L544 V548 F562 N607 V608 A609 | V484-V546 HydrophobicContact CB-CG1 4.45Å; V484-V546 WeakPolarHBondContact O-CA 3.38Å; F500-V546 HydrophobicContact CE1-CG1 3.88Å; F500-V546 HydrophobicContact CE2-CG1 3.83Å; F500-V546 HydrophobicContact CZ-CG1 3.43Å; F500-V546 VanDerWaalsContact CZ-CG1 3.43Å; F500-V546 HydrophobicContact CZ-CG2 4.45Å; L544-V546 HydrophobicContact CD1-CG2 3.47Å; L544-V546 VanDerWaalsContact CD1-CG2 3.47Å; L544-V546 HydrophobicContact CD2-CG2 4.49Å; L544-V546 HydrophobicContact CG-CG2 3.91Å; V546-V548 HydrophobicContact CG1-CG2 3.96Å; V546-F562 HydrophobicContact CB-CE2 4.49Å; V546-F562 HydrophobicContact CG1-CE2 3.66Å; V546-F562 HydrophobicContact CG1-CZ 4.15Å; V546-N607 PolarHBondContact N-O 2.85Å; V546-V608 HydrophobicContact CB-CG1 4.45Å; V546-V608 WeakPolarHBondContact O-CA 3.18Å; V546-A609 PolarHBondContact O-N 3.35Å |
| 547 | A | 88.3 | Confident | 79.4 | Confident | 48 Ų | 48 | 27.2 Ų | 27.2 | 40% | 0.397 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 113.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | V484 A485 V486 A609 | V484-A547 PolarHBondContact O-N 3.05Å; A485-A547 WeakPolarHBondContact CA-O 3.42Å; V486-A547 PolarHBondContact N-O 2.85Å; A547-A609 WeakPolarHBondContact CA-O 3.31Å |
| 548 | V | 90.8 | Very high | 79.6 | Confident | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.012 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 123.2 | 177.7 | -174.4 | 0 | 0 | 0 | 0 | 108.6 | V486 F500 V546 F562 A609 V610 S611 | V486-V548 HydrophobicContact CB-CG2 4.49Å; V486-V548 WeakPolarHBondContact O-CA 3.48Å; F500-V548 HydrophobicContact CB-CG2 4.3Å; F500-V548 HydrophobicContact CD2-CG2 3.73Å; F500-V548 HydrophobicContact CE2-CG2 4.21Å; F500-V548 HydrophobicContact CG-CG2 3.98Å; V546-V548 HydrophobicContact CG1-CG2 3.96Å; V548-F562 HydrophobicContact CG2-CD2 3.96Å; V548-F562 HydrophobicContact CG2-CE2 4.02Å; V548-A609 PolarHBondContact N-O 3.45Å; V548-V610 HydrophobicContact CB-CG2 4.48Å; V548-V610 WeakPolarHBondContact O-CA 3.16Å; V548-S611 PolarHBondContact O-N 3.39Å; V548-S611 PolarHBondContact O-OG 3.2Å |
| 549 | S | 89.6 | Confident | 80 | Confident | 46 Ų | 46 | 27.1 Ų | 27.1 | 32% | 0.322 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 135.3 | 179.7 | 60.3 | 0 | 0 | 0 | 0 | 111.2 | V486 S487 A488 Q498 S611 | V486-S549 PolarHBondContact O-N 3.11Å; V486-S549 PolarHBondContact O-OG 2.91Å; S487-S549 WeakPolarHBondContact CA-O 3.47Å; S487-S549 WeakPolarHBondContact CB-OG 3.41Å; A488-S549 PolarHBondContact N-O 3.34Å; Q498-S549 PolarHBondContact NE2-O 2.85Å; Q498-S549 VanDerWaalsContact NE2-O 3.13Å; S549-S611 WeakPolarHBondContact CA-O 3.22Å; S549-S611 WeakPolarHBondContact CB-OG 3.38Å |
| 550 | A | 87.8 | Confident | 80.6 | Confident | 6 Ų | 6 | 27.4 Ų | 27.4 | 5% | 0.05 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 139.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | A488 F496 Q498 F558 S611 A612 S613 | A488-A550 WeakPolarHBondContact O-CA 3.48Å; F496-A550 HydrophobicContact CE1-CB 3.4Å; F496-A550 VanDerWaalsContact CE1-CB 3.4Å; F496-A550 HydrophobicContact CZ-CB 3.39Å; Q498-A550 VanDerWaalsContact OE1-CB 3.27Å; A550-F558 HydrophobicContact CB-CE2 3.82Å; A550-F558 HydrophobicContact CB-CZ 3.5Å; A550-F558 VanDerWaalsContact CB-CZ 3.5Å; A550-S611 PolarHBondContact N-O 3.03Å; A550-A612 WeakPolarHBondContact O-CA 3.38Å; A550-S613 PolarHBondContact O-N 2.88Å; A550-S613 VanDerWaalsContact O-N 3.09Å |
| 551 | S | 84.9 | Confident | 81.4 | Confident | 41 Ų | 41 | 27 Ų | 27 | 29% | 0.287 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 122.7 | -178.1 | -169.6 | 0 | 0 | 0 | 0 | 110.9 | A488 S489 N490 P553 | A488-S551 PolarHBondContact O-N 3.42Å; A488-S551 VanDerWaalsContact O-N 3.09Å; S489-S551 WeakPolarHBondContact CA-O 3.43Å; N490-S551 PolarHBondContact N-O 2.86Å; S551-P553 VanDerWaalsContact C-CD 3.48Å; S551-P553 WeakPolarHBondContact OG-CD 2.96Å |
| 552 | N | 84.3 | Confident | 82.8 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -131.6 | 73.1 | 170.6 | -172 | -2.5 | 0 | 0 | 0 | 110.9 | N490 G493 F496 V554 G555 F558 S613 N614 | N490-N552 WeakPolarHBondContact O-CA 3.31Å; N490-N552 PolarHBondContact O-OD1 2.83Å; G493-N552 PolarHBondContact O-ND2 2.94Å; G493-N552 VanDerWaalsContact O-ND2 3.11Å; G493-N552 PolarHBondContact O-OD1 3.39Å; F496-N552 HydrophobicContact CB-CB 4.08Å; F496-N552 VanDerWaalsContact CB-ND2 3.34Å; F496-N552 WeakPolarHBondContact CB-ND2 3.34Å; F496-N552 HydrophobicContact CD2-CB 4.33Å; F496-N552 HydrophobicContact CG-CB 4.23Å; N552-V554 VanDerWaalsContact C-N 3.29Å; N552-V554 PolarHBondContact O-N 2.78Å; N552-V554 VanDerWaalsContact O-N 3.1Å; N552-G555 WeakPolarHBondContact ND2-CA 3.47Å; N552-G555 VanDerWaalsContact OD1-CA 3.25Å; N552-G555 WeakPolarHBondContact OD1-CA 3.48Å; N552-G555 PolarHBondContact OD1-N 2.84Å; N552-G555 VanDerWaalsContact OD1-N 3.11Å; N552-F558 HydrophobicContact CB-CD2 3.66Å; N552-F558 HydrophobicContact CB-CE2 4.22Å; N552-S613 PolarHBondContact N-O 3.47Å; N552-N614 WeakPolarHBondContact O-CA 3.31Å; N552-N614 PolarHBondContact O-OD1 3.14Å | ||
| 553 | P | 77.8 | Confident | 84.3 | Confident | 39 Ų | 39 | 27.5 Ų | 27.5 | 25% | 0.253 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -37 | -47.1 | -180 | -36.3 | 30.9 | 0 | 0 | 0 | 117.2 | P491 S551 V616 | P491-P553 HydrophobicContact CB-CG 4.38Å; S551-P553 VanDerWaalsContact C-CD 3.48Å; S551-P553 WeakPolarHBondContact OG-CD 2.96Å; P553-V616 WeakPolarHBondContact O-CB 3.37Å; P553-V616 VanDerWaalsContact O-CG2 3.28Å; P553-V616 WeakPolarHBondContact O-CG2 3.37Å; P553-V616 PolarHBondContact O-N 3.43Å; P553-V616 VanDerWaalsContact O-N 3.15Å |
| 554 | V | 74.1 | Confident | 85.1 | Confident | 85 Ų | 85 | 26.5 Ų | 26.5 | 52% | 0.515 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -124.1 | 15.9 | -166.2 | -158.6 | 0 | 0 | 0 | 0 | 113.1 | P491 N552 | P491-V554 WeakPolarHBondContact O-CB 3.32Å; P491-V554 VanDerWaalsContact O-CG2 3.3Å; P491-V554 WeakPolarHBondContact O-CG2 3.41Å; P491-V554 PolarHBondContact O-N 2.89Å; P491-V554 VanDerWaalsContact O-N 3.07Å; N552-V554 VanDerWaalsContact C-N 3.29Å; N552-V554 PolarHBondContact O-N 2.78Å; N552-V554 VanDerWaalsContact O-N 3.1Å |
| 555 | G | 71.3 | Confident | 85.5 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -95.2 | 140.2 | -169.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | G493 N552 T557 N614 G617 | G493-G555 WeakPolarHBondContact O-CA 3.3Å; N552-G555 WeakPolarHBondContact ND2-CA 3.47Å; N552-G555 VanDerWaalsContact OD1-CA 3.25Å; N552-G555 WeakPolarHBondContact OD1-CA 3.48Å; N552-G555 PolarHBondContact OD1-N 2.84Å; N552-G555 VanDerWaalsContact OD1-N 3.11Å; G555-T557 PolarHBondContact O-N 3.08Å; G555-N614 PolarHBondContact O-ND2 2.69Å; G555-N614 PolarHBondContact O-OD1 3.29Å; G555-G617 WeakPolarHBondContact O-CA 3.37Å | ||
| 556 | S | 81.3 | Confident | 85.6 | Confident | 47 Ų | 47 | 25.1 Ų | 25.1 | 33% | 0.329 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -62.7 | -38.1 | -178 | 41.5 | 0 | 0 | 0 | 0 | 114.3 | S494 S618 T619 | S494-S556 WeakPolarHBondContact CA-OG 3.25Å; S494-S556 PolarHBondContact O-N 3.05Å; S494-S556 PolarHBondContact O-OG 3.18Å; S556-S618 WeakPolarHBondContact CA-OG 3.5Å; S556-S618 PolarHBondContact O-N 3.39Å; S556-S618 PolarHBondContact O-OG 2.92Å; S556-T619 PolarHBondContact O-N 2.81Å |
| 557 | T | 83.5 | Confident | 85.6 | Confident | 41 Ų | 41 | 27.1 Ų | 27.1 | 25% | 0.252 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 127 | -175.2 | -49.1 | 0 | 0 | 0 | 0 | 110.9 | S494 T495 F496 G555 T619 | S494-T557 PolarHBondContact O-N 3.31Å; T495-T557 WeakPolarHBondContact CA-O 2.93Å; F496-T557 PolarHBondContact N-O 2.83Å; G555-T557 PolarHBondContact O-N 3.08Å; T557-T619 WeakPolarHBondContact CA-O 3.34Å |
| 558 | F | 88.8 | Confident | 85.5 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 123.5 | 177.5 | -178.6 | -79.9 | 0 | 0 | 0 | 110.5 | F496 A550 N552 Q560 A612 N614 T619 F620 N621 | F496-F558 HydrophobicContact CB-CD2 4.14Å; F496-F558 AromaticContact CD1-CD2 3.49Å; F496-F558 HydrophobicContact CD1-CD2 3.49Å; F496-F558 VanDerWaalsContact CD1-CD2 3.49Å; F496-F558 AromaticContact CD1-CE2 3.42Å; F496-F558 HydrophobicContact CD1-CE2 3.42Å; F496-F558 VanDerWaalsContact CD1-CE2 3.42Å; F496-F558 HydrophobicContact CD1-CG 4.25Å; F496-F558 HydrophobicContact CD1-CZ 4.09Å; F496-F558 HydrophobicContact CE1-CD2 4.11Å; F496-F558 AromaticContact CE1-CE2 3.53Å; F496-F558 HydrophobicContact CE1-CE2 3.53Å; F496-F558 AromaticContact CE1-CZ 3.95Å; F496-F558 HydrophobicContact CE1-CZ 3.95Å; F496-F558 AromaticContact CG-CD2 3.93Å; F496-F558 HydrophobicContact CG-CD2 3.93Å; F496-F558 HydrophobicContact CG-CE2 4.11Å; F496-F558 HydrophobicContact CZ-CE2 4.26Å; A550-F558 HydrophobicContact CB-CE2 3.82Å; A550-F558 HydrophobicContact CB-CZ 3.5Å; A550-F558 VanDerWaalsContact CB-CZ 3.5Å; N552-F558 HydrophobicContact CB-CD2 3.66Å; N552-F558 HydrophobicContact CB-CE2 4.22Å; F558-Q560 HydrophobicContact CE1-CB 3.67Å; F558-Q560 HydrophobicContact CZ-CB 4.19Å; F558-A612 HydrophobicContact CE1-CB 3.4Å; F558-A612 HydrophobicContact CZ-CB 3.4Å; F558-N614 HydrophobicContact CB-CB 4.06Å; F558-N614 WeakPolarHBondContact CB-ND2 3.5Å; F558-N614 HydrophobicContact CD2-CB 4.33Å; F558-N614 HydrophobicContact CG-CB 4.23Å; F558-T619 PolarHBondContact N-O 3.47Å; F558-F620 HydrophobicContact CB-CD2 4.12Å; F558-F620 AromaticContact CD1-CD2 3.5Å; F558-F620 HydrophobicContact CD1-CD2 3.5Å; F558-F620 AromaticContact CD1-CE2 3.41Å; F558-F620 HydrophobicContact CD1-CE2 3.41Å; F558-F620 VanDerWaalsContact CD1-CE2 3.41Å; F558-F620 HydrophobicContact CD1-CG 4.29Å; F558-F620 HydrophobicContact CD1-CZ 4.09Å; F558-F620 HydrophobicContact CE1-CD2 4.14Å; F558-F620 AromaticContact CE1-CE2 3.55Å; F558-F620 HydrophobicContact CE1-CE2 3.55Å; F558-F620 AromaticContact CE1-CZ 3.97Å; F558-F620 HydrophobicContact CE1-CZ 3.97Å; F558-F620 AromaticContact CG-CD2 3.94Å; F558-F620 HydrophobicContact CG-CD2 3.94Å; F558-F620 HydrophobicContact CG-CE2 4.1Å; F558-F620 HydrophobicContact CZ-CE2 4.28Å; F558-N621 PolarHBondContact O-N 3.4Å |
| 559 | N | 89.4 | Confident | 85.2 | Confident | 47 Ų | 47 | 27 Ų | 27 | 25% | 0.251 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 124.2 | 175.5 | -56.6 | -53.8 | 0 | 0 | 0 | 109.9 | F496 N497 Q498 N621 | F496-N559 PolarHBondContact O-N 2.7Å; N497-N559 WeakPolarHBondContact CA-O 3.48Å; N497-N559 PolarHBondContact OD1-ND2 3.2Å; Q498-N559 PolarHBondContact N-O 3.49Å; N559-N621 WeakPolarHBondContact CA-O 3.3Å; N559-N621 PolarHBondContact OD1-ND2 2.91Å |
| 560 | Q | 90.2 | Very high | 84.5 | Confident | 7 Ų | 7 | 25 Ų | 25 | 3% | 0.033 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 124.1 | 171.7 | -178 | -175.4 | 62.4 | 0 | 0 | 109.9 | Q498 F558 V610 S611 A612 N621 Q622 G623 | Q498-Q560 CarbonylContact O-C 3.53Å; Q498-Q560 WeakPolarHBondContact O-CA 3.33Å; F558-Q560 HydrophobicContact CE1-CB 3.67Å; F558-Q560 HydrophobicContact CZ-CB 4.19Å; Q560-V610 VanDerWaalsContact OE1-CG1 3.23Å; Q560-S611 PolarHBondContact NE2-O 3.15Å; Q560-S611 VanDerWaalsContact NE2-O 3.14Å; Q560-A612 VanDerWaalsContact OE1-CB 3.28Å; Q560-N621 PolarHBondContact N-O 3.36Å; Q560-Q622 CarbonylContact O-C 3.53Å; Q560-Q622 WeakPolarHBondContact O-CA 3.4Å; Q560-G623 PolarHBondContact O-N 3.46Å |
| 561 | G | 87.3 | Confident | 83.8 | Confident | 30 Ų | 30 | 24.8 Ų | 24.8 | 31% | 0.309 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 134.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q498 F500 | Q498-G561 PolarHBondContact O-N 2.86Å; F500-G561 PolarHBondContact N-O 3.14Å |
| 562 | F | 91 | Very high | 83.6 | Confident | 1 Ų | 1 | 26.1 Ų | 26.1 | 0% | 0.004 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 120.9 | 171.7 | -176.3 | -81.3 | 0 | 0 | 0 | 109.7 | F500 V546 V548 V608 V610 G623 F624 T625 | F500-F562 HydrophobicContact CB-CD2 4Å; F500-F562 AromaticContact CD1-CD2 3.45Å; F500-F562 HydrophobicContact CD1-CD2 3.45Å; F500-F562 VanDerWaalsContact CD1-CD2 3.45Å; F500-F562 AromaticContact CD1-CE2 3.24Å; F500-F562 HydrophobicContact CD1-CE2 3.24Å; F500-F562 HydrophobicContact CD1-CG 4.27Å; F500-F562 AromaticContact CD1-CZ 3.91Å; F500-F562 HydrophobicContact CD1-CZ 3.91Å; F500-F562 HydrophobicContact CE1-CD2 4.17Å; F500-F562 AromaticContact CE1-CE2 3.46Å; F500-F562 HydrophobicContact CE1-CE2 3.46Å; F500-F562 VanDerWaalsContact CE1-CE2 3.46Å; F500-F562 AromaticContact CE1-CZ 3.85Å; F500-F562 HydrophobicContact CE1-CZ 3.85Å; F500-F562 AromaticContact CG-CD2 3.85Å; F500-F562 HydrophobicContact CG-CD2 3.85Å; F500-F562 AromaticContact CG-CE2 3.92Å; F500-F562 HydrophobicContact CG-CE2 3.92Å; F500-F562 HydrophobicContact CZ-CE2 4.29Å; F500-F562 WeakPolarHBondContact O-CA 3.37Å; V546-F562 HydrophobicContact CB-CE2 4.49Å; V546-F562 HydrophobicContact CG1-CE2 3.66Å; V546-F562 HydrophobicContact CG1-CZ 4.15Å; V548-F562 HydrophobicContact CG2-CD2 3.96Å; V548-F562 HydrophobicContact CG2-CE2 4.02Å; F562-V608 HydrophobicContact CE1-CG1 3.91Å; F562-V608 HydrophobicContact CE2-CG1 3.86Å; F562-V608 HydrophobicContact CZ-CG1 3.46Å; F562-V608 VanDerWaalsContact CZ-CG1 3.46Å; F562-V608 HydrophobicContact CZ-CG2 4.45Å; F562-V610 HydrophobicContact CB-CG2 4.32Å; F562-V610 HydrophobicContact CD2-CG2 3.74Å; F562-V610 HydrophobicContact CE2-CG2 4.21Å; F562-V610 HydrophobicContact CG-CG2 3.99Å; F562-G623 PolarHBondContact N-O 2.91Å; F562-F624 HydrophobicContact CB-CD2 4.01Å; F562-F624 AromaticContact CD1-CD2 3.44Å; F562-F624 HydrophobicContact CD1-CD2 3.44Å; F562-F624 VanDerWaalsContact CD1-CD2 3.44Å; F562-F624 AromaticContact CD1-CE2 3.23Å; F562-F624 HydrophobicContact CD1-CE2 3.23Å; F562-F624 HydrophobicContact CD1-CG 4.27Å; F562-F624 AromaticContact CD1-CZ 3.92Å; F562-F624 HydrophobicContact CD1-CZ 3.92Å; F562-F624 HydrophobicContact CE1-CD2 4.15Å; F562-F624 AromaticContact CE1-CE2 3.45Å; F562-F624 HydrophobicContact CE1-CE2 3.45Å; F562-F624 VanDerWaalsContact CE1-CE2 3.45Å; F562-F624 AromaticContact CE1-CZ 3.85Å; F562-F624 HydrophobicContact CE1-CZ 3.85Å; F562-F624 AromaticContact CG-CD2 3.85Å; F562-F624 HydrophobicContact CG-CD2 3.85Å; F562-F624 AromaticContact CG-CE2 3.94Å; F562-F624 HydrophobicContact CG-CE2 3.94Å; F562-F624 HydrophobicContact CZ-CE2 4.29Å; F562-F624 WeakPolarHBondContact O-CA 3.41Å; F562-T625 PolarHBondContact O-N 2.95Å |
| 563 | T | 90.6 | Very high | 83.4 | Confident | 59 Ų | 59 | 26.2 Ų | 26.2 | 36% | 0.362 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 125.7 | 176.6 | -55.5 | 0 | 0 | 0 | 0 | 109.8 | F500 T501 Y502 T625 | F500-T563 PolarHBondContact O-N 3.11Å; T501-T563 WeakPolarHBondContact CA-O 3.25Å; Y502-T563 PolarHBondContact N-O 3.04Å; T563-T625 WeakPolarHBondContact CA-O 3.38Å |
| 564 | Y | 87.1 | Confident | 83.8 | Confident | 2 Ų | 2 | 25.9 Ų | 25.9 | 1% | 0.008 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 117.9 | 168 | -180 | -78.6 | 0 | 0 | 0 | 108 | Y502 L544 V566 K603 T625 Y626 G627 | Y502-Y564 AromaticContact CD1-CD2 3.43Å; Y502-Y564 HydrophobicContact CD1-CD2 3.43Å; Y502-Y564 VanDerWaalsContact CD1-CD2 3.43Å; Y502-Y564 AromaticContact CD1-CE2 3.2Å; Y502-Y564 HydrophobicContact CD1-CE2 3.2Å; Y502-Y564 HydrophobicContact CD1-CG 4.26Å; Y502-Y564 AromaticContact CD1-CZ 3.86Å; Y502-Y564 HydrophobicContact CE1-CD2 4.16Å; Y502-Y564 AromaticContact CE1-CE2 3.44Å; Y502-Y564 HydrophobicContact CE1-CE2 3.44Å; Y502-Y564 VanDerWaalsContact CE1-CE2 3.44Å; Y502-Y564 AromaticContact CE1-CZ 3.82Å; Y502-Y564 AromaticContact CG-CD2 3.87Å; Y502-Y564 HydrophobicContact CG-CD2 3.87Å; Y502-Y564 AromaticContact CG-CE2 3.93Å; Y502-Y564 HydrophobicContact CG-CE2 3.93Å; Y502-Y564 CarbonylContact O-C 3.51Å; Y502-Y564 WeakPolarHBondContact O-CA 3.49Å; L544-Y564 HydrophobicContact CD2-CD2 4.36Å; L544-Y564 HydrophobicContact CD2-CE2 3.58Å; Y564-V566 HydrophobicContact CE1-CG2 3.72Å; Y564-V566 VanDerWaalsContact OH-CG2 3.28Å; Y564-V566 WeakPolarHBondContact OH-CG2 3.29Å; Y564-K603 PolarHBondContact OH-NZ 3.48Å; Y564-T625 PolarHBondContact N-O 3.07Å; Y564-Y626 AromaticContact CD1-CD2 3.46Å; Y564-Y626 HydrophobicContact CD1-CD2 3.46Å; Y564-Y626 VanDerWaalsContact CD1-CD2 3.46Å; Y564-Y626 AromaticContact CD1-CE2 3.23Å; Y564-Y626 HydrophobicContact CD1-CE2 3.23Å; Y564-Y626 HydrophobicContact CD1-CG 4.29Å; Y564-Y626 AromaticContact CD1-CZ 3.89Å; Y564-Y626 HydrophobicContact CE1-CD2 4.2Å; Y564-Y626 AromaticContact CE1-CE2 3.49Å; Y564-Y626 HydrophobicContact CE1-CE2 3.49Å; Y564-Y626 VanDerWaalsContact CE1-CE2 3.49Å; Y564-Y626 AromaticContact CE1-CZ 3.86Å; Y564-Y626 AromaticContact CG-CD2 3.91Å; Y564-Y626 HydrophobicContact CG-CD2 3.91Å; Y564-Y626 AromaticContact CG-CE2 3.97Å; Y564-Y626 HydrophobicContact CG-CE2 3.97Å; Y564-Y626 WeakPolarHBondContact O-CA 3.34Å; Y564-G627 PolarHBondContact O-N 3.13Å |
| 565 | G | 87 | Confident | 84.3 | Confident | 21 Ų | 21 | 21.9 Ų | 21.9 | 22% | 0.216 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 137.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y502 G503 V504 G627 | Y502-G565 PolarHBondContact O-N 3.1Å; G503-G565 WeakPolarHBondContact CA-O 3.36Å; V504-G565 PolarHBondContact N-O 2.9Å; V504-G565 VanDerWaalsContact N-O 3.15Å; G565-G627 WeakPolarHBondContact CA-O 3.42Å |
| 566 | V | 85.7 | Confident | 85 | Confident | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.006 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 127.4 | 161.8 | 177.7 | 0 | 0 | 0 | 0 | 106.4 | V504 F537 Y564 F599 G627 V628 T629 | V504-V566 HydrophobicContact CB-CG2 4.37Å; V504-V566 CarbonylContact O-C 3.59Å; V504-V566 VanDerWaalsContact O-CA 3.29Å; V504-V566 WeakPolarHBondContact O-CA 3.47Å; F537-V566 HydrophobicContact CE1-CG1 3.87Å; F537-V566 HydrophobicContact CE2-CG1 4.03Å; F537-V566 HydrophobicContact CZ-CG1 3.36Å; Y564-V566 HydrophobicContact CE1-CG2 3.72Å; Y564-V566 VanDerWaalsContact OH-CG2 3.28Å; Y564-V566 WeakPolarHBondContact OH-CG2 3.29Å; V566-F599 HydrophobicContact CG1-CE2 4.07Å; V566-F599 HydrophobicContact CG1-CZ 4.34Å; V566-G627 PolarHBondContact N-O 2.85Å; V566-G627 VanDerWaalsContact N-O 3.16Å; V566-V628 HydrophobicContact CB-CG2 4.4Å; V566-V628 CarbonylContact O-C 3.45Å; V566-V628 VanDerWaalsContact O-CA 3.29Å; V566-V628 WeakPolarHBondContact O-CA 3.11Å; V566-T629 PolarHBondContact O-N 3.25Å |
| 567 | T | 87.2 | Confident | 85.1 | Confident | 47 Ų | 47 | 22 Ų | 22 | 29% | 0.288 | 14% | 0.14 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 129.2 | 176.9 | -60.7 | 0 | 0 | 0 | 0 | 107.3 | V504 T505 D506 T629 | V504-T567 PolarHBondContact O-N 2.98Å; T505-T567 WeakPolarHBondContact CA-O 3.37Å; D506-T567 PolarHBondContact N-O 2.85Å; T567-T629 WeakPolarHBondContact CA-O 3.42Å |
| 568 | D | 85.8 | Confident | 85.2 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | -115.4 | 141.6 | 166.9 | -168.4 | 15.8 | 0 | 0 | 0 | 107.2 | F537 F599 T629 T631 | F537-D568 HydrophobicContact CB-CB 4.26Å; F537-D568 VanDerWaalsContact CB-CG 3.46Å; F537-D568 WeakPolarHBondContact CB-OD2 3.37Å; F537-D568 HydrophobicContact CD2-CB 4.42Å; F537-D568 HydrophobicContact CG-CB 4.36Å; D568-F599 HydrophobicContact CB-CD2 3.6Å; D568-F599 HydrophobicContact CB-CE2 4.05Å; D568-F599 WeakPolarHBondContact OD2-CD2 3.25Å; D568-T629 PolarHBondContact N-O 2.6Å; D568-T631 PolarHBondContact O-N 2.72Å | ||
| 569 | T | 83.7 | Confident | 85 | Confident | 46 Ų | 46 | 22.9 Ų | 22.9 | 28% | 0.282 | 15% | 0.146 | S | C | . | . | trans | -145.5 | 104.4 | -177.7 | -58.5 | 0 | 0 | 0 | 0 | 106.8 | D506 A508 | D506-T569 PolarHBondContact O-N 3.29Å; A508-T569 WeakPolarHBondContact CB-O 3.25Å; A508-T569 PolarHBondContact N-O 3.43Å | ||
| 570 | A | 75.2 | Confident | 84.7 | Confident | 4 Ų | 4 | 23.2 Ų | 23.2 | 3% | 0.033 | 15% | 0.149 | C | C | . | . | P | Polyproline II helix | trans | -70 | 165.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | D597 T631 P633 | A570-D597 HydrophobicContact CB-CB 4.01Å; A570-D597 WeakPolarHBondContact CB-OD2 3.46Å; A570-T631 WeakPolarHBondContact CB-O 3.42Å; A570-T631 PolarHBondContact N-O 3.44Å; A570-P633 HydrophobicContact CB-CB 3.89Å; A570-P633 VanDerWaalsContact CB-CD 3.48Å; A570-P633 HydrophobicContact CB-CG 4.1Å |
| 571 | P | 72.7 | Confident | 84 | Confident | 3 Ų | 3 | 22.9 Ų | 22.9 | 2% | 0.019 | 15% | 0.148 | C | C | . | . | P | Polyproline II helix | trans | -84.5 | 129.3 | -171.3 | 29.3 | -30.9 | 0 | 0 | 0 | 113.5 | A508 P509 D535 V573 P633 | A508-P571 HydrophobicContact CB-CB 4.06Å; A508-P571 HydrophobicContact CB-CG 4.1Å; P509-P571 WeakPolarHBondContact O-CB 2.87Å; D535-P571 HydrophobicContact CB-CG 4.48Å; P571-V573 WeakPolarHBondContact O-CG2 3.34Å; P571-V573 PolarHBondContact O-N 2.81Å; P571-P633 WeakPolarHBondContact O-CB 3.15Å |
| 572 | D | 81.6 | Confident | 83.3 | Confident | 69 Ų | 69 | 23.5 Ų | 23.5 | 37% | 0.369 | 15% | 0.147 | S | C | . | . | P | Polyproline II helix | trans | -72.3 | 131.6 | 170.6 | -74.1 | -12.4 | 0 | 0 | 0 | 110.2 | D510 V511 D634 | D510-D572 CarbonylContact C-O 3.57Å; D510-D572 WeakPolarHBondContact CA-O 2.98Å; D510-D572 WeakPolarHBondContact OD1-CB 3.37Å; D510-D572 PolarHBondContact OD1-N 2.94Å; V511-D572 PolarHBondContact N-O 3.11Å; D572-D634 CarbonylContact C-O 3.5Å; D572-D634 WeakPolarHBondContact CA-O 3.36Å; D572-D634 WeakPolarHBondContact OD1-CB 3.45Å; D572-D634 PolarHBondContact OD1-N 3.09Å |
| 573 | V | 80.7 | Confident | 82.1 | Confident | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.012 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 117.4 | -174.5 | -173.9 | 0 | 0 | 0 | 0 | 111.5 | V511 T531 T533 P571 T593 T595 D634 V635 S636 | V511-V573 HydrophobicContact CB-CG1 4.38Å; V511-V573 HydrophobicContact CB-CG2 4.29Å; V511-V573 CarbonylContact O-C 3.6Å; V511-V573 WeakPolarHBondContact O-CA 3.46Å; T531-V573 HydrophobicContact CG2-CG1 3.75Å; T533-V573 HydrophobicContact CG2-CG1 4.18Å; T533-V573 HydrophobicContact CG2-CG2 3.5Å; T533-V573 VanDerWaalsContact CG2-CG2 3.5Å; T533-V573 WeakPolarHBondContact OG1-CG2 3.37Å; P571-V573 WeakPolarHBondContact O-CG2 3.34Å; P571-V573 PolarHBondContact O-N 2.81Å; V573-T593 HydrophobicContact CG1-CG2 3.58Å; V573-T595 HydrophobicContact CB-CG2 3.76Å; V573-T595 HydrophobicContact CG1-CG2 4.18Å; V573-T595 HydrophobicContact CG2-CG2 3.4Å; V573-T595 VanDerWaalsContact CG2-CG2 3.4Å; V573-D634 PolarHBondContact N-O 3.05Å; V573-V635 HydrophobicContact CB-CG2 4.33Å; V573-V635 WeakPolarHBondContact O-CA 3.33Å; V573-S636 PolarHBondContact O-N 2.93Å |
| 574 | S | 86 | Confident | 80.8 | Confident | 32 Ų | 32 | 24 Ų | 24 | 22% | 0.224 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 122.1 | 173.2 | 66.1 | 0 | 0 | 0 | 0 | 111.6 | V511 S512 T513 S636 | V511-S574 PolarHBondContact O-N 3.27Å; S512-S574 WeakPolarHBondContact CA-O 3.43Å; S512-S574 WeakPolarHBondContact CA-OG 3.47Å; S512-S574 WeakPolarHBondContact CB-OG 3.47Å; T513-S574 PolarHBondContact N-O 3.23Å; S574-S636 CarbonylContact C-O 3.49Å; S574-S636 WeakPolarHBondContact CA-O 3.29Å; S574-S636 WeakPolarHBondContact CA-OG 3.39Å; S574-S636 WeakPolarHBondContact CB-OG 2.99Å |
| 575 | T | 84.6 | Confident | 80 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 108 | 174.2 | -61.4 | 0 | 0 | 0 | 0 | 109.5 | T513 T529 T531 T591 T593 S636 T637 N638 | T513-T575 WeakPolarHBondContact O-CA 3.27Å; T529-T575 HydrophobicContact CG2-CG2 3.89Å; T531-T575 WeakPolarHBondContact CB-OG1 3.49Å; T531-T575 PolarHBondContact OG1-OG1 2.84Å; T575-T591 HydrophobicContact CG2-CG2 3.91Å; T575-T593 WeakPolarHBondContact OG1-CG2 2.83Å; T575-S636 PolarHBondContact N-O 2.92Å; T575-T637 WeakPolarHBondContact O-CA 3.29Å; T575-N638 PolarHBondContact O-N 2.77Å |
| 576 | N | 85.5 | Confident | 79.4 | Confident | 47 Ų | 47 | 28.5 Ų | 28.5 | 25% | 0.251 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 120.1 | -178.8 | -56 | -56.6 | 0 | 0 | 0 | 110.4 | T513 N514 S515 N638 | T513-N576 PolarHBondContact O-N 2.95Å; N514-N576 WeakPolarHBondContact CA-O 3.4Å; N514-N576 WeakPolarHBondContact OD1-CB 3.49Å; N514-N576 PolarHBondContact OD1-ND2 3.18Å; S515-N576 PolarHBondContact N-O 3.4Å; N576-N638 CarbonylContact C-O 3.58Å; N576-N638 WeakPolarHBondContact CA-O 3.32Å; N576-N638 WeakPolarHBondContact OD1-CB 3.47Å; N576-N638 PolarHBondContact OD1-ND2 2.93Å |
| 577 | S | 82.9 | Confident | 79.2 | Confident | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.014 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 122.2 | 177.7 | -68.4 | 0 | 0 | 0 | 0 | 111.1 | S515 N638 S639 T640 | S515-S577 CarbonylContact O-C 3.58Å; S515-S577 WeakPolarHBondContact O-CA 3.38Å; S577-N638 PolarHBondContact N-O 2.9Å; S577-S639 WeakPolarHBondContact O-CA 3.47Å; S577-T640 PolarHBondContact O-N 2.91Å |
| 578 | T | 86.4 | Confident | 78.9 | Confident | 60 Ų | 60 | 28.6 Ų | 28.6 | 37% | 0.368 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 110.7 | 171.6 | -60 | 0 | 0 | 0 | 0 | 109.2 | S515 T516 I517 T640 | S515-T578 PolarHBondContact O-N 2.87Å; T516-T578 CarbonylContact C-O 3.43Å; T516-T578 WeakPolarHBondContact CA-O 3.32Å; I517-T578 PolarHBondContact N-O 2.94Å; T578-T640 WeakPolarHBondContact CA-O 3.4Å |
| 579 | I | 83.8 | Confident | 78.7 | Confident | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 123.4 | -174.5 | -59.6 | 168.4 | 0 | 0 | 0 | 109.9 | I517 F525 F587 T589 T640 I641 T642 | I517-I579 HydrophobicContact CB-CG1 4.37Å; I517-I579 WeakPolarHBondContact O-CA 3.43Å; F525-I579 HydrophobicContact CE1-CG2 3.7Å; F525-I579 HydrophobicContact CZ-CG2 3.57Å; I579-F587 HydrophobicContact CG2-CE2 4.13Å; I579-F587 HydrophobicContact CG2-CZ 3.94Å; I579-T589 HydrophobicContact CD1-CG2 3.52Å; I579-T640 PolarHBondContact N-O 2.93Å; I579-I641 HydrophobicContact CB-CG1 4.46Å; I579-I641 WeakPolarHBondContact O-CA 3.31Å; I579-T642 PolarHBondContact O-N 2.89Å |
| 580 | T | 83.6 | Confident | 78.6 | Confident | 54 Ų | 54 | 28.2 Ų | 28.2 | 33% | 0.331 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 117.6 | 173.5 | -58.3 | 0 | 0 | 0 | 0 | 110.2 | I517 T518 A519 T642 | I517-T580 PolarHBondContact O-N 2.91Å; T518-T580 WeakPolarHBondContact CA-O 3.47Å; A519-T580 PolarHBondContact N-O 2.93Å; T580-T642 WeakPolarHBondContact CA-O 3.33Å |
| 581 | A | 76.7 | Confident | 78.7 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 134.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A519 F525 F587 T642 A643 S644 | A519-A581 WeakPolarHBondContact O-CA 3.48Å; F525-A581 HydrophobicContact CD2-CB 4.44Å; F525-A581 HydrophobicContact CE2-CB 4.46Å; A581-F587 HydrophobicContact CB-CD2 3.86Å; A581-F587 HydrophobicContact CB-CE2 3.6Å; A581-T642 PolarHBondContact N-O 2.96Å; A581-A643 WeakPolarHBondContact O-CA 3.05Å; A581-S644 PolarHBondContact O-N 2.97Å; A581-S644 PolarHBondContact O-OG 2.86Å |
| 582 | S | 72.2 | Confident | 79.1 | Confident | 43 Ų | 43 | 29.4 Ų | 29.4 | 30% | 0.301 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 133.4 | 178 | 51.5 | 0 | 0 | 0 | 0 | 111.8 | A519 S520 A521 | A519-S582 PolarHBondContact O-N 3Å; A519-S582 VanDerWaalsContact O-N 3.09Å; S520-S582 WeakPolarHBondContact CA-OG 3.07Å; S520-S582 WeakPolarHBondContact CB-OG 3.42Å; A521-S582 PolarHBondContact N-O 3.26Å |
| 583 | A | 65.2 | Low | 78.9 | Confident | 62 Ų | 62 | 26.1 Ų | 26.1 | 51% | 0.512 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 59.5 | 71.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114 | T522 S644 | T522-A583 PolarHBondContact N-O 2.9Å; A583-S644 PolarHBondContact N-O 2.92Å |
| 584 | T | 64 | Low | 78.8 | Confident | 7 Ų | 7 | 28.1 Ų | 28.1 | 4% | 0.043 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 147.9 | -178.2 | 30.8 | 0 | 0 | 0 | 0 | 113.9 | T522 F525 A645 T646 | T522-T584 WeakPolarHBondContact O-CA 3.42Å; T522-T584 VanDerWaalsContact O-CG2 3.24Å; T522-T584 WeakPolarHBondContact O-CG2 3.48Å; T522-T584 WeakPolarHBondContact OG1-CG2 3.4Å; F525-T584 HydrophobicContact CB-CG2 3.94Å; T584-A645 PolarHBondContact N-O 3.04Å; T584-T646 VanDerWaalsContact O-CA 3.23Å; T584-T646 WeakPolarHBondContact O-CA 3.38Å; T584-T646 WeakPolarHBondContact OG1-CG2 3.46Å |
| 585 | T | 68.9 | Low | 78.3 | Confident | 61 Ų | 61 | 26.7 Ų | 26.7 | 37% | 0.374 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | -51.3 | 171.2 | 61.7 | 0 | 0 | 0 | 0 | 110.9 | T523 T647 N648 | T523-T585 PolarHBondContact O-N 2.86Å; T523-T585 PolarHBondContact O-OG1 2.89Å; T585-T647 WeakPolarHBondContact O-CA 3.39Å; T585-T647 WeakPolarHBondContact O-CB 3.32Å; T585-T647 PolarHBondContact O-N 2.91Å; T585-T647 PolarHBondContact O-OG1 3.38Å; T585-N648 PolarHBondContact O-N 3.43Å |
| 586 | N | 76.1 | Confident | 77.9 | Confident | 57 Ų | 57 | 29.7 Ų | 29.7 | 31% | 0.305 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 124.7 | 176.5 | -58.7 | -54.6 | 0 | 0 | 0 | 110.2 | T523 N524 F525 N648 | T523-N586 PolarHBondContact O-N 3.39Å; T523-N586 VanDerWaalsContact O-N 3.11Å; N524-N586 PolarHBondContact OD1-ND2 3Å; F525-N586 PolarHBondContact N-O 2.67Å; N586-N648 PolarHBondContact OD1-ND2 2.88Å |
| 587 | F | 80.3 | Confident | 77.4 | Confident | 1 Ų | 1 | 27.7 Ų | 27.7 | 0% | 0.004 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 118 | 178.5 | -177.4 | -80.9 | 0 | 0 | 0 | 110 | F525 I579 A581 T589 I641 A643 T646 N648 F649 T650 | F525-F587 HydrophobicContact CB-CD2 4.23Å; F525-F587 AromaticContact CD1-CD2 3.41Å; F525-F587 HydrophobicContact CD1-CD2 3.41Å; F525-F587 VanDerWaalsContact CD1-CD2 3.41Å; F525-F587 AromaticContact CD1-CE2 3.28Å; F525-F587 HydrophobicContact CD1-CE2 3.28Å; F525-F587 HydrophobicContact CD1-CG 4.22Å; F525-F587 HydrophobicContact CD1-CZ 4Å; F525-F587 AromaticContact CE1-CD2 3.97Å; F525-F587 HydrophobicContact CE1-CD2 3.97Å; F525-F587 AromaticContact CE1-CE2 3.31Å; F525-F587 HydrophobicContact CE1-CE2 3.31Å; F525-F587 AromaticContact CE1-CZ 3.78Å; F525-F587 HydrophobicContact CE1-CZ 3.78Å; F525-F587 AromaticContact CG-CD2 4Å; F525-F587 HydrophobicContact CG-CD2 4Å; F525-F587 HydrophobicContact CG-CE2 4.14Å; F525-F587 HydrophobicContact CZ-CE2 4.22Å; I579-F587 HydrophobicContact CG2-CE2 4.13Å; I579-F587 HydrophobicContact CG2-CZ 3.94Å; A581-F587 HydrophobicContact CB-CD2 3.86Å; A581-F587 HydrophobicContact CB-CE2 3.6Å; F587-T589 WeakPolarHBondContact CE1-OG1 3.5Å; F587-T589 VanDerWaalsContact CZ-OG1 3.26Å; F587-T589 WeakPolarHBondContact CZ-OG1 3.46Å; F587-I641 HydrophobicContact CE1-CG2 3.83Å; F587-I641 HydrophobicContact CZ-CG2 3.58Å; F587-A643 HydrophobicContact CD2-CB 4.4Å; F587-A643 HydrophobicContact CE2-CB 4.48Å; F587-T646 HydrophobicContact CB-CG2 3.79Å; F587-N648 PolarHBondContact N-O 3.28Å; F587-F649 HydrophobicContact CB-CD2 4.32Å; F587-F649 AromaticContact CD1-CD2 3.38Å; F587-F649 HydrophobicContact CD1-CD2 3.38Å; F587-F649 AromaticContact CD1-CE2 3.37Å; F587-F649 HydrophobicContact CD1-CE2 3.37Å; F587-F649 HydrophobicContact CD1-CG 4.23Å; F587-F649 HydrophobicContact CD1-CZ 4.21Å; F587-F649 AromaticContact CE1-CD2 3.92Å; F587-F649 HydrophobicContact CE1-CD2 3.92Å; F587-F649 AromaticContact CE1-CE2 3.37Å; F587-F649 HydrophobicContact CE1-CE2 3.37Å; F587-F649 AromaticContact CE1-CZ 3.97Å; F587-F649 HydrophobicContact CE1-CZ 3.97Å; F587-F649 HydrophobicContact CG-CD2 4.01Å; F587-F649 HydrophobicContact CG-CE2 4.24Å; F587-F649 HydrophobicContact CZ-CE2 4.24Å; F587-F649 WeakPolarHBondContact O-CA 3.38Å; F587-T650 PolarHBondContact O-N 2.96Å |
| 588 | T | 81.7 | Confident | 77.1 | Confident | 49 Ų | 49 | 28.8 Ų | 28.8 | 30% | 0.301 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 127.2 | 178 | -55.2 | 0 | 0 | 0 | 0 | 109.7 | F525 T526 T527 T650 | F525-T588 PolarHBondContact O-N 3.19Å; T526-T588 VanDerWaalsContact CA-O 3.31Å; T526-T588 WeakPolarHBondContact CA-O 3.36Å; T527-T588 PolarHBondContact N-O 2.91Å; T588-T650 WeakPolarHBondContact CA-O 3.47Å |
| 589 | T | 80.5 | Confident | 76.9 | Confident | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.012 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 137 | 173.8 | -64.2 | 0 | 0 | 0 | 0 | 109.3 | T527 I579 F587 I641 T650 T651 T652 | T527-T589 CarbonylContact O-C 3.54Å; T527-T589 WeakPolarHBondContact O-CA 3.34Å; T527-T589 WeakPolarHBondContact OG1-CG2 3.41Å; T527-T589 PolarHBondContact OG1-OG1 2.84Å; T527-T589 VanDerWaalsContact OG1-OG1 3.1Å; I579-T589 HydrophobicContact CD1-CG2 3.52Å; F587-T589 WeakPolarHBondContact CE1-OG1 3.5Å; F587-T589 VanDerWaalsContact CZ-OG1 3.26Å; F587-T589 WeakPolarHBondContact CZ-OG1 3.46Å; T589-I641 HydrophobicContact CG2-CD1 4.09Å; T589-T650 PolarHBondContact N-O 3.13Å; T589-T651 VanDerWaalsContact O-CA 3.32Å; T589-T651 WeakPolarHBondContact O-CA 3.28Å; T589-T652 PolarHBondContact O-N 3.15Å |
| 590 | T | 81.7 | Confident | 76.6 | Confident | 37 Ų | 37 | 28.4 Ų | 28.4 | 23% | 0.227 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 129.8 | 175.3 | -57.4 | 0 | 0 | 0 | 0 | 108.9 | T527 T528 T529 | T527-T590 PolarHBondContact O-N 3.14Å; T528-T590 WeakPolarHBondContact CA-O 3.41Å; T529-T590 PolarHBondContact N-O 3.27Å |
| 591 | T | 78.6 | Confident | 76.3 | Confident | 2 Ų | 2 | 25.9 Ų | 25.9 | 1% | 0.012 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 119 | 177.2 | -55.4 | 0 | 0 | 0 | 0 | 108.2 | T529 T575 T637 T652 T653 | T529-T591 CarbonylContact O-C 3.6Å; T529-T591 VanDerWaalsContact O-CA 3.29Å; T529-T591 WeakPolarHBondContact O-CA 3.45Å; T575-T591 HydrophobicContact CG2-CG2 3.91Å; T591-T637 HydrophobicContact CG2-CG2 3.89Å; T591-T652 PolarHBondContact N-O 3.29Å; T591-T653 VanDerWaalsContact O-CA 3.26Å; T591-T653 WeakPolarHBondContact O-CA 3.26Å |
| 592 | T | 79.8 | Confident | 75.8 | Confident | 29 Ų | 29 | 27.7 Ų | 27.7 | 18% | 0.178 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 125.1 | -177.3 | -60.4 | 0 | 0 | 0 | 0 | 108.1 | T529 T530 T531 T594 T654 T655 | T529-T592 PolarHBondContact O-N 3.15Å; T530-T592 CarbonylContact C-O 3.54Å; T530-T592 VanDerWaalsContact CA-O 3.3Å; T530-T592 WeakPolarHBondContact CA-O 3.46Å; T531-T592 PolarHBondContact N-O 2.93Å; T592-T594 HydrophobicContact CG2-CG2 3.91Å; T592-T654 WeakPolarHBondContact CG2-OG1 3.47Å; T592-T654 PolarHBondContact OG1-OG1 2.9Å; T592-T655 HydrophobicContact CG2-CG2 4.37Å |
| 593 | T | 77.7 | Confident | 75.2 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 67.1 | -174.4 | -50.3 | 0 | 0 | 0 | 0 | 111.4 | T531 V573 T575 T595 V635 T637 T654 T655 | T531-T593 CarbonylContact O-C 3.53Å; T531-T593 VanDerWaalsContact O-C 3.25Å; T531-T593 VanDerWaalsContact O-CA 3.24Å; T531-T593 WeakPolarHBondContact O-CA 3.4Å; V573-T593 HydrophobicContact CG1-CG2 3.58Å; T575-T593 WeakPolarHBondContact OG1-CG2 2.83Å; T593-T595 PolarHBondContact O-N 2.93Å; T593-V635 HydrophobicContact CG2-CG1 3.77Å; T593-T637 WeakPolarHBondContact CB-OG1 3.5Å; T593-T637 PolarHBondContact OG1-OG1 3.44Å; T593-T654 PolarHBondContact N-O 3.49Å; T593-T655 VanDerWaalsContact C-CB 3.48Å; T593-T655 VanDerWaalsContact C-OG1 3.25Å; T593-T655 WeakPolarHBondContact O-CB 3.48Å; T593-T655 WeakPolarHBondContact O-CG2 3.38Å; T593-T655 PolarHBondContact O-OG1 3.49Å |
| 594 | T | 78 | Confident | 74.9 | Confident | 44 Ų | 44 | 26.3 Ų | 26.3 | 27% | 0.27 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 115 | -171.9 | 51 | 0 | 0 | 0 | 0 | 111.1 | T531 T532 T533 T592 T655 | T531-T594 PolarHBondContact O-N 3.2Å; T531-T594 PolarHBondContact O-OG1 3.04Å; T532-T594 CarbonylContact C-O 3.44Å; T532-T594 VanDerWaalsContact CA-O 3.24Å; T532-T594 WeakPolarHBondContact CA-O 3.36Å; T532-T594 WeakPolarHBondContact CA-OG1 3.37Å; T532-T594 WeakPolarHBondContact CB-OG1 3.13Å; T532-T594 WeakPolarHBondContact CG2-OG1 3.29Å; T532-T594 PolarHBondContact OG1-OG1 2.89Å; T533-T594 PolarHBondContact N-O 3.31Å; T592-T594 HydrophobicContact CG2-CG2 3.91Å; T594-T655 HydrophobicContact CG2-CG2 3.27Å; T594-T655 VanDerWaalsContact N-CG2 3.26Å |
| 595 | T | 76 | Confident | 75.1 | Confident | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.012 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 135.9 | 166.3 | 68.7 | 0 | 0 | 0 | 0 | 108.4 | T533 V573 T593 V635 T656 T657 | T533-T595 WeakPolarHBondContact O-CA 3.11Å; T533-T595 WeakPolarHBondContact OG1-CA 3.46Å; T533-T595 WeakPolarHBondContact OG1-CB 3.48Å; T533-T595 VanDerWaalsContact OG1-CG2 3.23Å; T533-T595 WeakPolarHBondContact OG1-CG2 3.49Å; V573-T595 HydrophobicContact CB-CG2 3.76Å; V573-T595 HydrophobicContact CG1-CG2 4.18Å; V573-T595 HydrophobicContact CG2-CG2 3.4Å; V573-T595 VanDerWaalsContact CG2-CG2 3.4Å; T593-T595 PolarHBondContact O-N 2.93Å; T595-V635 HydrophobicContact CG2-CG1 4.43Å; T595-V635 HydrophobicContact CG2-CG2 3.48Å; T595-V635 VanDerWaalsContact CG2-CG2 3.48Å; T595-T656 HydrophobicContact CG2-CG2 4.32Å; T595-T656 VanDerWaalsContact OG1-CB 3.29Å; T595-T656 WeakPolarHBondContact OG1-CB 3.35Å; T595-T656 WeakPolarHBondContact OG1-CG2 3.41Å; T595-T657 PolarHBondContact O-N 3.47Å; T595-T657 VanDerWaalsContact O-N 3.13Å |
| 596 | T | 77.2 | Confident | 75.5 | Confident | 63 Ų | 63 | 24 Ų | 24 | 39% | 0.387 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 118.4 | 171.2 | -57.5 | 0 | 0 | 0 | 0 | 108.1 | T533 T534 D535 T657 | T533-T596 PolarHBondContact O-N 2.92Å; T534-T596 CarbonylContact C-O 3.53Å; T534-T596 VanDerWaalsContact CA-O 3.3Å; T534-T596 WeakPolarHBondContact CA-O 3.02Å; D535-T596 PolarHBondContact N-O 3.06Å; T596-T657 VanDerWaalsContact CA-O 3.29Å; T596-T657 WeakPolarHBondContact CA-O 3.29Å |
| 597 | D | 75 | Confident | 75.8 | Confident | 6 Ų | 6 | 23.7 Ų | 23.7 | 3% | 0.032 | 15% | 0.151 | C | C | . | . | trans | -118.7 | 151.8 | 169.9 | -178 | 27.5 | 0 | 0 | 0 | 109.2 | A570 P633 G659 | A570-D597 HydrophobicContact CB-CB 4.01Å; A570-D597 WeakPolarHBondContact CB-OD2 3.46Å; D597-P633 HydrophobicContact CB-CG 4.42Å; D597-G659 PolarHBondContact O-N 2.82Å | ||
| 598 | G | 74.9 | Confident | 76 | Confident | 25 Ų | 25 | 23.9 Ų | 23.9 | 26% | 0.258 | 15% | 0.152 | S | C | . | . | trans | -155.1 | 98.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | F537 N600 | F537-G598 PolarHBondContact N-O 3.43Å; G598-N600 PolarHBondContact O-N 3.24Å | ||
| 599 | F | 82.7 | Confident | 76.3 | Confident | 1 Ų | 1 | 23.9 Ų | 23.9 | 0% | 0.004 | 16% | 0.157 | C | C | . | . | trans | -68.9 | 115.3 | 167.4 | -178.6 | -88.7 | 0 | 0 | 0 | 111.7 | F537 V566 D568 Q601 V628 D630 F660 N661 | F537-F599 HydrophobicContact CB-CD2 4.12Å; F537-F599 AromaticContact CD1-CD2 3.57Å; F537-F599 HydrophobicContact CD1-CD2 3.57Å; F537-F599 AromaticContact CD1-CE2 3.45Å; F537-F599 HydrophobicContact CD1-CE2 3.45Å; F537-F599 VanDerWaalsContact CD1-CE2 3.45Å; F537-F599 HydrophobicContact CD1-CG 4.36Å; F537-F599 HydrophobicContact CD1-CZ 4.14Å; F537-F599 HydrophobicContact CE1-CD2 4.23Å; F537-F599 AromaticContact CE1-CE2 3.62Å; F537-F599 HydrophobicContact CE1-CE2 3.62Å; F537-F599 HydrophobicContact CE1-CZ 4.05Å; F537-F599 AromaticContact CG-CD2 3.99Å; F537-F599 HydrophobicContact CG-CD2 3.99Å; F537-F599 HydrophobicContact CG-CE2 4.12Å; F537-F599 HydrophobicContact CZ-CE2 4.4Å; V566-F599 HydrophobicContact CG1-CE2 4.07Å; V566-F599 HydrophobicContact CG1-CZ 4.34Å; D568-F599 HydrophobicContact CB-CD2 3.6Å; D568-F599 HydrophobicContact CB-CE2 4.05Å; D568-F599 WeakPolarHBondContact OD2-CD2 3.25Å; F599-Q601 HydrophobicContact CE1-CB 3.58Å; F599-Q601 HydrophobicContact CZ-CB 3.83Å; F599-V628 HydrophobicContact CE1-CG1 3.99Å; F599-V628 HydrophobicContact CE2-CG1 4.08Å; F599-V628 HydrophobicContact CZ-CG1 3.42Å; F599-V628 VanDerWaalsContact CZ-CG1 3.42Å; F599-D630 HydrophobicContact CB-CB 4.28Å; F599-D630 WeakPolarHBondContact CB-OD2 3.35Å; F599-D630 HydrophobicContact CD2-CB 4.34Å; F599-D630 HydrophobicContact CG-CB 4.31Å; F599-F660 HydrophobicContact CB-CD2 4.04Å; F599-F660 AromaticContact CD1-CD2 3.62Å; F599-F660 HydrophobicContact CD1-CD2 3.62Å; F599-F660 AromaticContact CD1-CE2 3.45Å; F599-F660 HydrophobicContact CD1-CE2 3.45Å; F599-F660 VanDerWaalsContact CD1-CE2 3.45Å; F599-F660 HydrophobicContact CD1-CG 4.38Å; F599-F660 HydrophobicContact CD1-CZ 4.09Å; F599-F660 HydrophobicContact CE1-CD2 4.33Å; F599-F660 AromaticContact CE1-CE2 3.69Å; F599-F660 HydrophobicContact CE1-CE2 3.69Å; F599-F660 HydrophobicContact CE1-CZ 4.07Å; F599-F660 AromaticContact CG-CD2 3.96Å; F599-F660 HydrophobicContact CG-CD2 3.96Å; F599-F660 HydrophobicContact CG-CE2 4.06Å; F599-F660 HydrophobicContact CZ-CE2 4.45Å; F599-N661 CarbonylContact O-C 3.08Å; F599-N661 VanDerWaalsContact O-CA 3.29Å; F599-N661 WeakPolarHBondContact O-CA 3.48Å; F599-N661 PolarHBondContact O-N 3.25Å; F599-N661 VanDerWaalsContact O-O 3.09Å | ||
| 600 | N | 78.5 | Confident | 76.7 | Confident | 52 Ų | 52 | 23.9 Ų | 23.9 | 28% | 0.278 | 16% | 0.157 | S | C | . | . | B | Isolated β-bridge | trans | -123.9 | 106.5 | 174.9 | -164.8 | -30.8 | 0 | 0 | 0 | 112.8 | F537 N538 Q539 G598 S602 N661 | F537-N600 CarbonylContact O-C 3.51Å; F537-N600 WeakPolarHBondContact O-CA 2.87Å; F537-N600 PolarHBondContact O-N 3.35Å; N538-N600 WeakPolarHBondContact CA-O 3.47Å; Q539-N600 PolarHBondContact N-O 2.9Å; G598-N600 PolarHBondContact O-N 3.24Å; N600-S602 PolarHBondContact OD1-N 3.23Å; N600-N661 WeakPolarHBondContact CA-O 3.13Å |
| 601 | Q | 75.7 | Confident | 77 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | trans | -112 | 85.3 | 171 | -169.7 | 177.2 | 105.6 | 0 | 0 | 112.2 | Q539 F599 K603 N661 S663 | Q539-Q601 HydrophobicContact CB-CG 4.41Å; F599-Q601 HydrophobicContact CE1-CB 3.58Å; F599-Q601 HydrophobicContact CZ-CB 3.83Å; Q601-K603 HydrophobicContact CG-CD 4.3Å; Q601-K603 HydrophobicContact CG-CG 4.24Å; Q601-K603 VanDerWaalsContact OE1-NZ 3.12Å; Q601-N661 PolarHBondContact N-O 2.72Å; Q601-N661 VanDerWaalsContact N-O 3.07Å; Q601-S663 PolarHBondContact O-N 3.36Å; Q601-S663 VanDerWaalsContact O-O 3.12Å | ||
| 602 | S | 66.4 | Low | 77.4 | Confident | 39 Ų | 39 | 24.4 Ų | 24.4 | 27% | 0.273 | 16% | 0.163 | S | C | . | . | trans | -92.3 | 101.5 | 176.8 | 57.6 | 0 | 0 | 0 | 0 | 112.7 | Q539 S540 K541 N600 S663 | Q539-S602 PolarHBondContact O-N 3.44Å; S540-S602 WeakPolarHBondContact CA-O 3.18Å; K541-S602 PolarHBondContact N-O 3.45Å; K541-S602 VanDerWaalsContact N-O 3.11Å; N600-S602 PolarHBondContact OD1-N 3.23Å; S602-S663 VanDerWaalsContact CA-O 3.31Å; S602-S663 WeakPolarHBondContact CA-O 3.46Å | ||
| 603 | K | 60.8 | Low | 77.6 | Confident | 5 Ų | 5 | 24.8 Ų | 24.8 | 2% | 0.022 | 17% | 0.167 | C | C | . | . | B | Isolated β-bridge | trans | -114.7 | 129 | 179.3 | -64.7 | -178.4 | 176.7 | 148.7 | 0 | 113 | K541 Y564 Q601 S663 K664 S665 | K541-K603 HydrophobicContact CB-CG 4.26Å; K541-K603 WeakPolarHBondContact O-CA 3.13Å; Y564-K603 PolarHBondContact OH-NZ 3.48Å; Q601-K603 HydrophobicContact CG-CD 4.3Å; Q601-K603 HydrophobicContact CG-CG 4.24Å; Q601-K603 VanDerWaalsContact OE1-NZ 3.12Å; K603-S663 PolarHBondContact N-O 3.03Å; K603-K664 HydrophobicContact CB-CG 4.3Å; K603-S665 PolarHBondContact O-N 2.89Å; K603-S665 PolarHBondContact O-OG 2.8Å |
| 604 | S | 57.6 | Low | 77.9 | Confident | 70 Ų | 70 | 24.8 Ų | 24.8 | 49% | 0.49 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -83.1 | 0.8 | 172 | 58 | 0 | 0 | 0 | 0 | 115.6 | K541 S542 S665 | K541-S604 PolarHBondContact O-N 3.25Å; S542-S604 WeakPolarHBondContact CA-OG 3.33Å; S542-S604 CarbonylContact O-C 3.58Å; S542-S604 PolarHBondContact O-OG 3.31Å; S604-S665 WeakPolarHBondContact CA-OG 2.94Å; S604-S665 PolarHBondContact O-OG 3.06Å |
| 605 | S | 69.5 | Low | 77.9 | Confident | 21 Ų | 21 | 24.6 Ų | 24.6 | 15% | 0.147 | 17% | 0.166 | C | C | . | . | trans | 173.9 | 142.3 | 149.6 | 44.7 | 0 | 0 | 0 | 0 | 111.9 | S543 L544 S665 S666 | S543-S605 WeakPolarHBondContact CA-O 3.09Å; L544-S605 PolarHBondContact N-O 3.22Å; S605-S665 PolarHBondContact N-OG 2.82Å; S605-S666 WeakPolarHBondContact CB-OG 3.33Å | ||
| 606 | L | 76 | Confident | 77.8 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 111.8 | 166.9 | 170.7 | 54.4 | 0 | 0 | 0 | 108.8 | L544 V608 Y626 S666 L667 N668 | L544-L606 HydrophobicContact CB-CD1 3.81Å; L544-L606 HydrophobicContact CD2-CD1 3.54Å; L544-L606 HydrophobicContact CG-CD1 3.46Å; L544-L606 VanDerWaalsContact CG-CD1 3.46Å; L606-V608 HydrophobicContact CD1-CG2 3.48Å; L606-V608 VanDerWaalsContact CD1-CG2 3.48Å; L606-V608 HydrophobicContact CD2-CG2 4.48Å; L606-V608 HydrophobicContact CG-CG2 3.92Å; L606-Y626 HydrophobicContact CD2-CD2 4.39Å; L606-Y626 HydrophobicContact CD2-CE2 3.61Å; L606-S666 PolarHBondContact N-O 3.23Å; L606-L667 HydrophobicContact CB-CD1 3.83Å; L606-L667 HydrophobicContact CD2-CD1 3.54Å; L606-L667 HydrophobicContact CG-CD1 3.49Å; L606-L667 VanDerWaalsContact CG-CD1 3.49Å; L606-N668 PolarHBondContact O-N 2.84Å |
| 607 | N | 83.4 | Confident | 77.4 | Confident | 50 Ų | 50 | 25.6 Ų | 25.6 | 27% | 0.267 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 113.8 | 177.3 | -56.4 | -57.5 | 0 | 0 | 0 | 109.3 | L544 N545 V546 N668 | L544-N607 PolarHBondContact O-N 2.93Å; N545-N607 WeakPolarHBondContact CA-O 3.18Å; N545-N607 WeakPolarHBondContact OD1-CB 3.44Å; N545-N607 PolarHBondContact OD1-ND2 3.26Å; V546-N607 PolarHBondContact N-O 2.85Å; N607-N668 WeakPolarHBondContact CA-O 2.91Å; N607-N668 WeakPolarHBondContact OD1-CB 3.45Å; N607-N668 PolarHBondContact OD1-ND2 3.01Å |
| 608 | V | 85.1 | Confident | 77.7 | Confident | 4 Ų | 4 | 27.6 Ų | 27.6 | 2% | 0.024 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 119.1 | 179.2 | -174 | 0 | 0 | 0 | 0 | 108.9 | V546 F562 L606 V610 F624 N668 V669 A670 | V546-V608 HydrophobicContact CB-CG1 4.45Å; V546-V608 WeakPolarHBondContact O-CA 3.18Å; F562-V608 HydrophobicContact CE1-CG1 3.91Å; F562-V608 HydrophobicContact CE2-CG1 3.86Å; F562-V608 HydrophobicContact CZ-CG1 3.46Å; F562-V608 VanDerWaalsContact CZ-CG1 3.46Å; F562-V608 HydrophobicContact CZ-CG2 4.45Å; L606-V608 HydrophobicContact CD1-CG2 3.48Å; L606-V608 VanDerWaalsContact CD1-CG2 3.48Å; L606-V608 HydrophobicContact CD2-CG2 4.48Å; L606-V608 HydrophobicContact CG-CG2 3.92Å; V608-V610 HydrophobicContact CG1-CG2 3.93Å; V608-F624 HydrophobicContact CG1-CE2 3.69Å; V608-F624 HydrophobicContact CG1-CZ 4.2Å; V608-N668 PolarHBondContact N-O 3.13Å; V608-V669 HydrophobicContact CB-CG1 4.44Å; V608-V669 WeakPolarHBondContact O-CA 3.38Å; V608-A670 PolarHBondContact O-N 3.39Å |
| 609 | A | 86.5 | Confident | 78 | Confident | 49 Ų | 49 | 28.4 Ų | 28.4 | 41% | 0.405 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 111.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | V546 A547 V548 A670 | V546-A609 PolarHBondContact O-N 3.35Å; A547-A609 WeakPolarHBondContact CA-O 3.31Å; V548-A609 PolarHBondContact N-O 3.45Å; A609-A670 CarbonylContact C-O 3.56Å; A609-A670 WeakPolarHBondContact CA-O 3.42Å |
| 610 | V | 89.4 | Confident | 78.3 | Confident | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.012 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 123 | 177.1 | -174.2 | 0 | 0 | 0 | 0 | 108.5 | V548 Q560 F562 V608 F624 A670 V671 S672 | V548-V610 HydrophobicContact CB-CG2 4.48Å; V548-V610 WeakPolarHBondContact O-CA 3.16Å; Q560-V610 VanDerWaalsContact OE1-CG1 3.23Å; F562-V610 HydrophobicContact CB-CG2 4.32Å; F562-V610 HydrophobicContact CD2-CG2 3.74Å; F562-V610 HydrophobicContact CE2-CG2 4.21Å; F562-V610 HydrophobicContact CG-CG2 3.99Å; V608-V610 HydrophobicContact CG1-CG2 3.93Å; V610-F624 HydrophobicContact CG2-CD2 3.98Å; V610-F624 HydrophobicContact CG2-CE2 4.05Å; V610-A670 PolarHBondContact N-O 2.96Å; V610-V671 WeakPolarHBondContact O-CA 3.42Å; V610-S672 PolarHBondContact O-N 3.29Å; V610-S672 PolarHBondContact O-OG 2.84Å |
| 611 | S | 89 | Confident | 78.7 | Confident | 46 Ų | 46 | 28.2 Ų | 28.2 | 32% | 0.322 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 135.8 | 179.8 | 60.1 | 0 | 0 | 0 | 0 | 111.1 | V548 S549 A550 Q560 S672 | V548-S611 PolarHBondContact O-N 3.39Å; V548-S611 PolarHBondContact O-OG 3.2Å; S549-S611 WeakPolarHBondContact CA-O 3.22Å; S549-S611 WeakPolarHBondContact CB-OG 3.38Å; A550-S611 PolarHBondContact N-O 3.03Å; Q560-S611 PolarHBondContact NE2-O 3.15Å; Q560-S611 VanDerWaalsContact NE2-O 3.14Å; S611-S672 WeakPolarHBondContact CA-O 3.4Å; S611-S672 WeakPolarHBondContact CB-OG 3.37Å |
| 612 | A | 86.9 | Confident | 79.3 | Confident | 5 Ų | 5 | 28.6 Ų | 28.6 | 4% | 0.041 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 138.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | A550 F558 Q560 F620 S672 A673 S674 | A550-A612 WeakPolarHBondContact O-CA 3.38Å; F558-A612 HydrophobicContact CE1-CB 3.4Å; F558-A612 HydrophobicContact CZ-CB 3.4Å; Q560-A612 VanDerWaalsContact OE1-CB 3.28Å; A612-F620 HydrophobicContact CB-CE2 3.81Å; A612-F620 HydrophobicContact CB-CZ 3.51Å; A612-S672 PolarHBondContact N-O 2.89Å; A612-A673 WeakPolarHBondContact O-CA 3.48Å; A612-S674 PolarHBondContact O-N 3.01Å; A612-S674 VanDerWaalsContact O-N 3.09Å |
| 613 | S | 84.4 | Confident | 80.2 | Confident | 37 Ų | 37 | 28.2 Ų | 28.2 | 26% | 0.259 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 124.9 | 178.1 | -169.3 | 0 | 0 | 0 | 0 | 111.2 | A550 N552 P615 S674 | A550-S613 PolarHBondContact O-N 2.88Å; A550-S613 VanDerWaalsContact O-N 3.09Å; N552-S613 PolarHBondContact N-O 3.47Å; S613-P615 WeakPolarHBondContact OG-CD 3.37Å; S613-S674 WeakPolarHBondContact CA-O 3.49Å |
| 614 | N | 83.6 | Confident | 81.6 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -134.5 | 73.4 | 168.7 | -171.9 | -1.6 | 0 | 0 | 0 | 110.5 | N552 G555 F558 V616 G617 F620 S674 N675 | N552-N614 WeakPolarHBondContact O-CA 3.31Å; N552-N614 PolarHBondContact O-OD1 3.14Å; G555-N614 PolarHBondContact O-ND2 2.69Å; G555-N614 PolarHBondContact O-OD1 3.29Å; F558-N614 HydrophobicContact CB-CB 4.06Å; F558-N614 WeakPolarHBondContact CB-ND2 3.5Å; F558-N614 HydrophobicContact CD2-CB 4.33Å; F558-N614 HydrophobicContact CG-CB 4.23Å; N614-V616 VanDerWaalsContact C-N 3.29Å; N614-V616 PolarHBondContact O-N 3.38Å; N614-V616 VanDerWaalsContact O-N 3.16Å; N614-G617 WeakPolarHBondContact ND2-CA 3.41Å; N614-G617 VanDerWaalsContact OD1-CA 3.24Å; N614-G617 WeakPolarHBondContact OD1-CA 3.48Å; N614-G617 PolarHBondContact OD1-N 3.34Å; N614-G617 VanDerWaalsContact OD1-N 3.08Å; N614-F620 HydrophobicContact CB-CD2 3.67Å; N614-F620 HydrophobicContact CB-CE2 4.22Å; N614-S674 PolarHBondContact N-O 2.91Å; N614-N675 WeakPolarHBondContact O-CA 3.47Å; N614-N675 VanDerWaalsContact O-CG 3.23Å; N614-N675 PolarHBondContact O-OD1 2.98Å | ||
| 615 | P | 77 | Confident | 83.1 | Confident | 39 Ų | 39 | 27.5 Ų | 27.5 | 25% | 0.253 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.3 | -38 | -175.9 | -27 | 30.1 | 0 | 0 | 0 | 117 | S613 P676 V677 | S613-P615 WeakPolarHBondContact OG-CD 3.37Å; P615-P676 HydrophobicContact CB-CG 4.2Å; P615-V677 WeakPolarHBondContact O-CB 3.33Å; P615-V677 VanDerWaalsContact O-CG2 3.26Å; P615-V677 WeakPolarHBondContact O-CG2 3.45Å; P615-V677 PolarHBondContact O-N 3.06Å |
| 616 | V | 73.5 | Confident | 83.9 | Confident | 86 Ų | 86 | 26.7 Ų | 26.7 | 52% | 0.521 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.5 | 9.6 | -169.8 | -157.9 | 0 | 0 | 0 | 0 | 112.8 | P553 N614 | P553-V616 WeakPolarHBondContact O-CB 3.37Å; P553-V616 VanDerWaalsContact O-CG2 3.28Å; P553-V616 WeakPolarHBondContact O-CG2 3.37Å; P553-V616 PolarHBondContact O-N 3.43Å; P553-V616 VanDerWaalsContact O-N 3.15Å; N614-V616 VanDerWaalsContact C-N 3.29Å; N614-V616 PolarHBondContact O-N 3.38Å; N614-V616 VanDerWaalsContact O-N 3.16Å |
| 617 | G | 70 | Confident | 84.3 | Confident | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | trans | -90.8 | 141.3 | -170.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | G555 N614 T619 N675 G678 | G555-G617 WeakPolarHBondContact O-CA 3.37Å; N614-G617 WeakPolarHBondContact ND2-CA 3.41Å; N614-G617 VanDerWaalsContact OD1-CA 3.24Å; N614-G617 WeakPolarHBondContact OD1-CA 3.48Å; N614-G617 PolarHBondContact OD1-N 3.34Å; N614-G617 VanDerWaalsContact OD1-N 3.08Å; G617-T619 PolarHBondContact O-N 3.12Å; G617-N675 PolarHBondContact O-ND2 3.17Å; G617-N675 PolarHBondContact O-OD1 2.74Å; G617-G678 WeakPolarHBondContact O-CA 3.39Å | ||
| 618 | S | 80.2 | Confident | 84.3 | Confident | 48 Ų | 48 | 25.4 Ų | 25.4 | 34% | 0.336 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -62.9 | -39.6 | -178.6 | 40.8 | 0 | 0 | 0 | 0 | 114.4 | S556 S679 T680 | S556-S618 WeakPolarHBondContact CA-OG 3.5Å; S556-S618 PolarHBondContact O-N 3.39Å; S556-S618 PolarHBondContact O-OG 2.92Å; S618-S679 WeakPolarHBondContact CA-OG 3.2Å; S618-S679 PolarHBondContact O-N 3.27Å; S618-S679 PolarHBondContact O-OG 2.8Å; S618-T680 PolarHBondContact O-N 2.83Å |
| 619 | T | 82.6 | Confident | 84.4 | Confident | 41 Ų | 41 | 27.4 Ų | 27.4 | 25% | 0.252 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 126.3 | -174.8 | -50.4 | 0 | 0 | 0 | 0 | 110.8 | S556 T557 F558 G617 | S556-T619 PolarHBondContact O-N 2.81Å; T557-T619 WeakPolarHBondContact CA-O 3.34Å; F558-T619 PolarHBondContact N-O 3.47Å; G617-T619 PolarHBondContact O-N 3.12Å |
| 620 | F | 87.7 | Confident | 84.3 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 123.1 | 177.6 | -178.4 | -80.3 | 0 | 0 | 0 | 110.8 | F558 A612 N614 Q622 A673 N675 T680 F681 N682 | F558-F620 HydrophobicContact CB-CD2 4.12Å; F558-F620 AromaticContact CD1-CD2 3.5Å; F558-F620 HydrophobicContact CD1-CD2 3.5Å; F558-F620 AromaticContact CD1-CE2 3.41Å; F558-F620 HydrophobicContact CD1-CE2 3.41Å; F558-F620 VanDerWaalsContact CD1-CE2 3.41Å; F558-F620 HydrophobicContact CD1-CG 4.29Å; F558-F620 HydrophobicContact CD1-CZ 4.09Å; F558-F620 HydrophobicContact CE1-CD2 4.14Å; F558-F620 AromaticContact CE1-CE2 3.55Å; F558-F620 HydrophobicContact CE1-CE2 3.55Å; F558-F620 AromaticContact CE1-CZ 3.97Å; F558-F620 HydrophobicContact CE1-CZ 3.97Å; F558-F620 AromaticContact CG-CD2 3.94Å; F558-F620 HydrophobicContact CG-CD2 3.94Å; F558-F620 HydrophobicContact CG-CE2 4.1Å; F558-F620 HydrophobicContact CZ-CE2 4.28Å; A612-F620 HydrophobicContact CB-CE2 3.81Å; A612-F620 HydrophobicContact CB-CZ 3.51Å; N614-F620 HydrophobicContact CB-CD2 3.67Å; N614-F620 HydrophobicContact CB-CE2 4.22Å; F620-Q622 HydrophobicContact CE1-CB 3.66Å; F620-Q622 HydrophobicContact CZ-CB 4.17Å; F620-A673 HydrophobicContact CE1-CB 3.38Å; F620-A673 HydrophobicContact CZ-CB 3.39Å; F620-N675 HydrophobicContact CB-CB 4.12Å; F620-N675 WeakPolarHBondContact CB-ND2 3.49Å; F620-N675 HydrophobicContact CD2-CB 4.36Å; F620-N675 HydrophobicContact CG-CB 4.26Å; F620-T680 PolarHBondContact N-O 2.93Å; F620-F681 HydrophobicContact CB-CD2 4.1Å; F620-F681 AromaticContact CD1-CD2 3.48Å; F620-F681 HydrophobicContact CD1-CD2 3.48Å; F620-F681 VanDerWaalsContact CD1-CD2 3.48Å; F620-F681 AromaticContact CD1-CE2 3.4Å; F620-F681 HydrophobicContact CD1-CE2 3.4Å; F620-F681 VanDerWaalsContact CD1-CE2 3.4Å; F620-F681 HydrophobicContact CD1-CG 4.29Å; F620-F681 HydrophobicContact CD1-CZ 4.11Å; F620-F681 HydrophobicContact CE1-CD2 4.13Å; F620-F681 AromaticContact CE1-CE2 3.54Å; F620-F681 HydrophobicContact CE1-CE2 3.54Å; F620-F681 AromaticContact CE1-CZ 4Å; F620-F681 HydrophobicContact CE1-CZ 4Å; F620-F681 AromaticContact CG-CD2 3.92Å; F620-F681 HydrophobicContact CG-CD2 3.92Å; F620-F681 HydrophobicContact CG-CE2 4.1Å; F620-F681 HydrophobicContact CZ-CE2 4.29Å; F620-N682 PolarHBondContact O-N 3.37Å |
| 621 | N | 88.3 | Confident | 83.9 | Confident | 50 Ų | 50 | 27.2 Ų | 27.2 | 27% | 0.267 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 124.1 | 174.7 | -57.3 | -52.9 | 0 | 0 | 0 | 110.1 | F558 N559 Q560 N682 | F558-N621 PolarHBondContact O-N 3.4Å; N559-N621 WeakPolarHBondContact CA-O 3.3Å; N559-N621 PolarHBondContact OD1-ND2 2.91Å; Q560-N621 PolarHBondContact N-O 3.36Å; N621-N682 WeakPolarHBondContact CA-O 3.26Å; N621-N682 PolarHBondContact OD1-ND2 3.16Å |
| 622 | Q | 88.5 | Confident | 83.3 | Confident | 7 Ų | 7 | 25.1 Ų | 25.1 | 3% | 0.033 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 123.9 | 171.2 | -178.6 | -175.5 | 63.9 | 0 | 0 | 109.7 | Q560 F620 S672 A673 N682 Q683 G684 | Q560-Q622 CarbonylContact O-C 3.53Å; Q560-Q622 WeakPolarHBondContact O-CA 3.4Å; F620-Q622 HydrophobicContact CE1-CB 3.66Å; F620-Q622 HydrophobicContact CZ-CB 4.17Å; Q622-S672 PolarHBondContact NE2-O 2.84Å; Q622-S672 VanDerWaalsContact NE2-O 3.15Å; Q622-A673 VanDerWaalsContact OE1-CB 3.3Å; Q622-N682 PolarHBondContact N-O 2.92Å; Q622-Q683 CarbonylContact O-C 3.59Å; Q622-Q683 WeakPolarHBondContact O-CA 3.22Å; Q622-G684 PolarHBondContact O-N 2.9Å |
| 623 | G | 85.1 | Confident | 82.7 | Confident | 31 Ų | 31 | 25 Ų | 25 | 32% | 0.32 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 133.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q560 F562 | Q560-G623 PolarHBondContact O-N 3.46Å; F562-G623 PolarHBondContact N-O 2.91Å |
| 624 | F | 89.2 | Confident | 82.4 | Confident | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.009 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 120.8 | 171.8 | -176.6 | -81.5 | 0 | 0 | 0 | 109.5 | F562 V608 V610 V669 V671 G684 F685 T686 | F562-F624 HydrophobicContact CB-CD2 4.01Å; F562-F624 AromaticContact CD1-CD2 3.44Å; F562-F624 HydrophobicContact CD1-CD2 3.44Å; F562-F624 VanDerWaalsContact CD1-CD2 3.44Å; F562-F624 AromaticContact CD1-CE2 3.23Å; F562-F624 HydrophobicContact CD1-CE2 3.23Å; F562-F624 HydrophobicContact CD1-CG 4.27Å; F562-F624 AromaticContact CD1-CZ 3.92Å; F562-F624 HydrophobicContact CD1-CZ 3.92Å; F562-F624 HydrophobicContact CE1-CD2 4.15Å; F562-F624 AromaticContact CE1-CE2 3.45Å; F562-F624 HydrophobicContact CE1-CE2 3.45Å; F562-F624 VanDerWaalsContact CE1-CE2 3.45Å; F562-F624 AromaticContact CE1-CZ 3.85Å; F562-F624 HydrophobicContact CE1-CZ 3.85Å; F562-F624 AromaticContact CG-CD2 3.85Å; F562-F624 HydrophobicContact CG-CD2 3.85Å; F562-F624 AromaticContact CG-CE2 3.94Å; F562-F624 HydrophobicContact CG-CE2 3.94Å; F562-F624 HydrophobicContact CZ-CE2 4.29Å; F562-F624 WeakPolarHBondContact O-CA 3.41Å; V608-F624 HydrophobicContact CG1-CE2 3.69Å; V608-F624 HydrophobicContact CG1-CZ 4.2Å; V610-F624 HydrophobicContact CG2-CD2 3.98Å; V610-F624 HydrophobicContact CG2-CE2 4.05Å; F624-V669 HydrophobicContact CE1-CG1 3.91Å; F624-V669 HydrophobicContact CE2-CG1 3.84Å; F624-V669 HydrophobicContact CZ-CG1 3.46Å; F624-V669 VanDerWaalsContact CZ-CG1 3.46Å; F624-V669 HydrophobicContact CZ-CG2 4.44Å; F624-V671 HydrophobicContact CB-CG2 4.33Å; F624-V671 HydrophobicContact CD2-CG2 3.75Å; F624-V671 HydrophobicContact CE2-CG2 4.22Å; F624-V671 HydrophobicContact CG-CG2 3.99Å; F624-G684 PolarHBondContact N-O 2.85Å; F624-F685 HydrophobicContact CB-CD2 3.99Å; F624-F685 AromaticContact CD1-CD2 3.44Å; F624-F685 HydrophobicContact CD1-CD2 3.44Å; F624-F685 VanDerWaalsContact CD1-CD2 3.44Å; F624-F685 AromaticContact CD1-CE2 3.22Å; F624-F685 HydrophobicContact CD1-CE2 3.22Å; F624-F685 HydrophobicContact CD1-CG 4.25Å; F624-F685 AromaticContact CD1-CZ 3.88Å; F624-F685 HydrophobicContact CD1-CZ 3.88Å; F624-F685 HydrophobicContact CE1-CD2 4.15Å; F624-F685 AromaticContact CE1-CE2 3.44Å; F624-F685 HydrophobicContact CE1-CE2 3.44Å; F624-F685 VanDerWaalsContact CE1-CE2 3.44Å; F624-F685 AromaticContact CE1-CZ 3.81Å; F624-F685 HydrophobicContact CE1-CZ 3.81Å; F624-F685 AromaticContact CG-CD2 3.84Å; F624-F685 HydrophobicContact CG-CD2 3.84Å; F624-F685 AromaticContact CG-CE2 3.91Å; F624-F685 HydrophobicContact CG-CE2 3.91Å; F624-F685 HydrophobicContact CZ-CE2 4.27Å; F624-F685 CarbonylContact O-C 3.59Å; F624-F685 WeakPolarHBondContact O-CA 3.39Å; F624-T686 PolarHBondContact O-N 2.85Å |
| 625 | T | 88.9 | Confident | 82.2 | Confident | 59 Ų | 59 | 26.4 Ų | 26.4 | 36% | 0.362 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 125.9 | 176.7 | -55.7 | 0 | 0 | 0 | 0 | 109.8 | F562 T563 Y564 T686 | F562-T625 PolarHBondContact O-N 2.95Å; T563-T625 WeakPolarHBondContact CA-O 3.38Å; Y564-T625 PolarHBondContact N-O 3.07Å; T625-T686 WeakPolarHBondContact CA-O 3.41Å |
| 626 | Y | 86.3 | Confident | 82.6 | Confident | 3 Ų | 3 | 26 Ų | 26 | 1% | 0.012 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 118.3 | 168.8 | 180 | -78.6 | 0 | 0 | 0 | 108 | Y564 L606 V628 K664 T686 Y687 G688 | Y564-Y626 AromaticContact CD1-CD2 3.46Å; Y564-Y626 HydrophobicContact CD1-CD2 3.46Å; Y564-Y626 VanDerWaalsContact CD1-CD2 3.46Å; Y564-Y626 AromaticContact CD1-CE2 3.23Å; Y564-Y626 HydrophobicContact CD1-CE2 3.23Å; Y564-Y626 HydrophobicContact CD1-CG 4.29Å; Y564-Y626 AromaticContact CD1-CZ 3.89Å; Y564-Y626 HydrophobicContact CE1-CD2 4.2Å; Y564-Y626 AromaticContact CE1-CE2 3.49Å; Y564-Y626 HydrophobicContact CE1-CE2 3.49Å; Y564-Y626 VanDerWaalsContact CE1-CE2 3.49Å; Y564-Y626 AromaticContact CE1-CZ 3.86Å; Y564-Y626 AromaticContact CG-CD2 3.91Å; Y564-Y626 HydrophobicContact CG-CD2 3.91Å; Y564-Y626 AromaticContact CG-CE2 3.97Å; Y564-Y626 HydrophobicContact CG-CE2 3.97Å; Y564-Y626 WeakPolarHBondContact O-CA 3.34Å; L606-Y626 HydrophobicContact CD2-CD2 4.39Å; L606-Y626 HydrophobicContact CD2-CE2 3.61Å; Y626-V628 HydrophobicContact CE1-CG2 3.71Å; Y626-V628 VanDerWaalsContact OH-CG2 3.24Å; Y626-V628 WeakPolarHBondContact OH-CG2 3.28Å; Y626-K664 PolarHBondContact OH-NZ 3.43Å; Y626-T686 PolarHBondContact N-O 3.46Å; Y626-Y687 AromaticContact CD1-CD2 3.45Å; Y626-Y687 HydrophobicContact CD1-CD2 3.45Å; Y626-Y687 VanDerWaalsContact CD1-CD2 3.45Å; Y626-Y687 AromaticContact CD1-CE2 3.22Å; Y626-Y687 HydrophobicContact CD1-CE2 3.22Å; Y626-Y687 HydrophobicContact CD1-CG 4.29Å; Y626-Y687 AromaticContact CD1-CZ 3.88Å; Y626-Y687 HydrophobicContact CE1-CD2 4.19Å; Y626-Y687 AromaticContact CE1-CE2 3.47Å; Y626-Y687 HydrophobicContact CE1-CE2 3.47Å; Y626-Y687 VanDerWaalsContact CE1-CE2 3.47Å; Y626-Y687 AromaticContact CE1-CZ 3.85Å; Y626-Y687 AromaticContact CG-CD2 3.9Å; Y626-Y687 HydrophobicContact CG-CD2 3.9Å; Y626-Y687 AromaticContact CG-CE2 3.95Å; Y626-Y687 HydrophobicContact CG-CE2 3.95Å; Y626-G688 PolarHBondContact O-N 3.15Å |
| 627 | G | 84.9 | Confident | 83 | Confident | 22 Ų | 22 | 22 Ų | 22 | 23% | 0.227 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 136.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y564 G565 V566 G688 | Y564-G627 PolarHBondContact O-N 3.13Å; G565-G627 WeakPolarHBondContact CA-O 3.42Å; V566-G627 PolarHBondContact N-O 2.85Å; V566-G627 VanDerWaalsContact N-O 3.16Å; G627-G688 WeakPolarHBondContact CA-O 3.38Å |
| 628 | V | 84.2 | Confident | 83.6 | Confident | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.006 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 127.5 | 161.3 | 177.6 | 0 | 0 | 0 | 0 | 106.5 | V566 F599 Y626 F660 G688 V689 T690 | V566-V628 HydrophobicContact CB-CG2 4.4Å; V566-V628 CarbonylContact O-C 3.45Å; V566-V628 VanDerWaalsContact O-CA 3.29Å; V566-V628 WeakPolarHBondContact O-CA 3.11Å; F599-V628 HydrophobicContact CE1-CG1 3.99Å; F599-V628 HydrophobicContact CE2-CG1 4.08Å; F599-V628 HydrophobicContact CZ-CG1 3.42Å; F599-V628 VanDerWaalsContact CZ-CG1 3.42Å; Y626-V628 HydrophobicContact CE1-CG2 3.71Å; Y626-V628 VanDerWaalsContact OH-CG2 3.24Å; Y626-V628 WeakPolarHBondContact OH-CG2 3.28Å; V628-F660 HydrophobicContact CG1-CE2 4.4Å; V628-G688 PolarHBondContact N-O 3.38Å; V628-G688 VanDerWaalsContact N-O 3.13Å; V628-V689 HydrophobicContact CB-CG1 4.49Å; V628-V689 HydrophobicContact CB-CG2 4.35Å; V628-V689 CarbonylContact O-C 3.5Å; V628-V689 VanDerWaalsContact O-CA 3.29Å; V628-V689 WeakPolarHBondContact O-CA 3.48Å; V628-T690 PolarHBondContact O-N 3.48Å |
| 629 | T | 86.1 | Confident | 83.6 | Confident | 47 Ų | 47 | 22.3 Ų | 22.3 | 29% | 0.288 | 14% | 0.142 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 129.1 | 175.8 | -60.4 | 0 | 0 | 0 | 0 | 107.3 | V566 T567 D568 T690 | V566-T629 PolarHBondContact O-N 3.25Å; T567-T629 WeakPolarHBondContact CA-O 3.42Å; D568-T629 PolarHBondContact N-O 2.6Å; T629-T690 WeakPolarHBondContact CA-O 3.32Å |
| 630 | D | 84.1 | Confident | 83.7 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 139.9 | 164.6 | -171.2 | 17.1 | 0 | 0 | 0 | 107.5 | F599 F660 T690 T692 | F599-D630 HydrophobicContact CB-CB 4.28Å; F599-D630 WeakPolarHBondContact CB-OD2 3.35Å; F599-D630 HydrophobicContact CD2-CB 4.34Å; F599-D630 HydrophobicContact CG-CB 4.31Å; D630-F660 HydrophobicContact CB-CD2 3.47Å; D630-F660 VanDerWaalsContact CB-CD2 3.47Å; D630-F660 HydrophobicContact CB-CE2 3.83Å; D630-F660 VanDerWaalsContact OD2-CD2 3.31Å; D630-F660 WeakPolarHBondContact OD2-CD2 3.44Å; D630-T690 PolarHBondContact N-O 3.28Å; D630-T692 PolarHBondContact O-N 2.81Å; D630-T692 VanDerWaalsContact O-N 3.14Å; D630-T692 PolarHBondContact O-OG1 2.83Å |
| 631 | T | 82.5 | Confident | 83.4 | Confident | 46 Ų | 46 | 23.5 Ų | 23.5 | 28% | 0.282 | 15% | 0.149 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 106.3 | -179.1 | -65.5 | 0 | 0 | 0 | 0 | 108.6 | D568 A570 T692 | D568-T631 PolarHBondContact O-N 2.72Å; A570-T631 WeakPolarHBondContact CB-O 3.42Å; A570-T631 PolarHBondContact N-O 3.44Å; T631-T692 VanDerWaalsContact CA-OG1 3.25Å; T631-T692 WeakPolarHBondContact CA-OG1 3.48Å; T631-T692 WeakPolarHBondContact CG2-OG1 3.41Å; T631-T692 PolarHBondContact OG1-OG1 3.08Å |
| 632 | A | 74.5 | Confident | 83.1 | Confident | 3 Ų | 3 | 23.8 Ų | 23.8 | 3% | 0.025 | 15% | 0.153 | C | C | . | . | P | Polyproline II helix | trans | -66 | 163.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | D658 T692 P694 | A632-D658 WeakPolarHBondContact CB-OD2 3.48Å; A632-T692 WeakPolarHBondContact CB-O 3.41Å; A632-T692 PolarHBondContact N-O 3.01Å; A632-P694 HydrophobicContact CB-CB 3.94Å; A632-P694 VanDerWaalsContact CB-CD 3.49Å; A632-P694 HydrophobicContact CB-CG 4.22Å |
| 633 | P | 74.2 | Confident | 82.3 | Confident | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.006 | 15% | 0.152 | C | C | . | . | P | Polyproline II helix | trans | -83.1 | 128.4 | -171.9 | 29.1 | -32.5 | 0 | 0 | 0 | 112.8 | A570 P571 D597 P694 | A570-P633 HydrophobicContact CB-CB 3.89Å; A570-P633 VanDerWaalsContact CB-CD 3.48Å; A570-P633 HydrophobicContact CB-CG 4.1Å; P571-P633 WeakPolarHBondContact O-CB 3.15Å; D597-P633 HydrophobicContact CB-CG 4.42Å; P633-P694 WeakPolarHBondContact O-CB 3.46Å |
| 634 | D | 80 | Confident | 81.5 | Confident | 65 Ų | 65 | 24.3 Ų | 24.3 | 35% | 0.348 | 15% | 0.153 | S | C | . | . | P | Polyproline II helix | trans | -75 | 132.3 | 170.1 | -72.6 | -14.1 | 0 | 0 | 0 | 110.2 | D572 V573 D695 | D572-D634 CarbonylContact C-O 3.5Å; D572-D634 WeakPolarHBondContact CA-O 3.36Å; D572-D634 WeakPolarHBondContact OD1-CB 3.45Å; D572-D634 PolarHBondContact OD1-N 3.09Å; V573-D634 PolarHBondContact N-O 3.05Å; D634-D695 CarbonylContact C-O 3.57Å; D634-D695 WeakPolarHBondContact CA-O 3.43Å; D634-D695 WeakPolarHBondContact OD1-CB 3.39Å; D634-D695 PolarHBondContact OD1-N 2.83Å |
| 635 | V | 79.2 | Confident | 80.1 | Confident | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.012 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 117.9 | -175.1 | -175.6 | 0 | 0 | 0 | 0 | 111.6 | V573 T593 T595 T656 D695 V696 S697 | V573-V635 HydrophobicContact CB-CG2 4.33Å; V573-V635 WeakPolarHBondContact O-CA 3.33Å; T593-V635 HydrophobicContact CG2-CG1 3.77Å; T595-V635 HydrophobicContact CG2-CG1 4.43Å; T595-V635 HydrophobicContact CG2-CG2 3.48Å; T595-V635 VanDerWaalsContact CG2-CG2 3.48Å; V635-T656 HydrophobicContact CB-CG2 3.8Å; V635-T656 HydrophobicContact CG1-CG2 3.81Å; V635-T656 HydrophobicContact CG2-CG2 3.55Å; V635-D695 PolarHBondContact N-O 2.64Å; V635-V696 HydrophobicContact CB-CG2 4.34Å; V635-V696 CarbonylContact O-C 3.59Å; V635-V696 WeakPolarHBondContact O-CA 3.5Å; V635-S697 PolarHBondContact O-N 3.44Å |
| 636 | S | 83.8 | Confident | 78.6 | Confident | 32 Ų | 32 | 24.3 Ų | 24.3 | 22% | 0.224 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 120.6 | 174.1 | 66.2 | 0 | 0 | 0 | 0 | 111.3 | V573 S574 T575 S697 | V573-S636 PolarHBondContact O-N 2.93Å; S574-S636 CarbonylContact C-O 3.49Å; S574-S636 WeakPolarHBondContact CA-O 3.29Å; S574-S636 WeakPolarHBondContact CA-OG 3.39Å; S574-S636 WeakPolarHBondContact CB-OG 2.99Å; T575-S636 PolarHBondContact N-O 2.92Å; S636-S697 WeakPolarHBondContact CA-O 3.22Å; S636-S697 WeakPolarHBondContact CB-OG 3.17Å |
| 637 | T | 82.3 | Confident | 77.4 | Confident | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.012 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 109.4 | 173.5 | -60 | 0 | 0 | 0 | 0 | 109.6 | T575 T591 T593 T653 S697 N699 | T575-T637 WeakPolarHBondContact O-CA 3.29Å; T591-T637 HydrophobicContact CG2-CG2 3.89Å; T593-T637 WeakPolarHBondContact CB-OG1 3.5Å; T593-T637 PolarHBondContact OG1-OG1 3.44Å; T637-T653 HydrophobicContact CG2-CG2 3.83Å; T637-S697 PolarHBondContact N-O 2.87Å; T637-N699 PolarHBondContact O-N 2.8Å |
| 638 | N | 82.9 | Confident | 76.4 | Confident | 49 Ų | 49 | 28.6 Ų | 28.6 | 26% | 0.262 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 122.1 | -178.4 | -55.5 | -57.8 | 0 | 0 | 0 | 110.9 | T575 N576 S577 N699 | T575-N638 PolarHBondContact O-N 2.77Å; N576-N638 CarbonylContact C-O 3.58Å; N576-N638 WeakPolarHBondContact CA-O 3.32Å; N576-N638 WeakPolarHBondContact OD1-CB 3.47Å; N576-N638 PolarHBondContact OD1-ND2 2.93Å; S577-N638 PolarHBondContact N-O 2.9Å; N638-N699 WeakPolarHBondContact CA-O 3.37Å; N638-N699 WeakPolarHBondContact OD1-CB 3.49Å; N638-N699 PolarHBondContact OD1-ND2 2.8Å |
| 639 | S | 80.7 | Confident | 75.5 | Confident | 5 Ų | 5 | 28.6 Ų | 28.6 | 4% | 0.035 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 123.6 | 178.5 | -69.3 | 0 | 0 | 0 | 0 | 111.3 | S577 N699 S700 T701 | S577-S639 WeakPolarHBondContact O-CA 3.47Å; S639-N699 PolarHBondContact N-O 2.82Å; S639-S700 CarbonylContact O-C 3.57Å; S639-S700 WeakPolarHBondContact O-CA 3.45Å; S639-T701 PolarHBondContact O-N 2.89Å |
| 640 | T | 84.4 | Confident | 74.6 | Confident | 62 Ų | 62 | 28.8 Ų | 28.8 | 38% | 0.38 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 110.2 | 170.8 | -58.9 | 0 | 0 | 0 | 0 | 109.1 | S577 T578 I579 T701 | S577-T640 PolarHBondContact O-N 2.91Å; T578-T640 WeakPolarHBondContact CA-O 3.4Å; I579-T640 PolarHBondContact N-O 2.93Å; T640-T701 WeakPolarHBondContact CA-O 3.34Å |
| 641 | I | 81.6 | Confident | 73.1 | Confident | 4 Ų | 4 | 29.2 Ų | 29.2 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 123.2 | -175 | -56.4 | 174 | 0 | 0 | 0 | 109.9 | I579 F587 T589 F649 T651 T701 I702 T703 | I579-I641 HydrophobicContact CB-CG1 4.46Å; I579-I641 WeakPolarHBondContact O-CA 3.31Å; F587-I641 HydrophobicContact CE1-CG2 3.83Å; F587-I641 HydrophobicContact CZ-CG2 3.58Å; T589-I641 HydrophobicContact CG2-CD1 4.09Å; I641-F649 HydrophobicContact CG2-CE2 3.9Å; I641-F649 HydrophobicContact CG2-CZ 3.92Å; I641-T651 HydrophobicContact CD1-CG2 3.6Å; I641-T701 PolarHBondContact N-O 2.88Å; I641-I702 HydrophobicContact CB-CG1 4.44Å; I641-I702 WeakPolarHBondContact O-CA 3.4Å; I641-T703 PolarHBondContact O-N 3.15Å |
| 642 | T | 81.3 | Confident | 72.1 | Confident | 56 Ų | 56 | 29.1 Ų | 29.1 | 34% | 0.344 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 114.9 | 172.1 | -57.8 | 0 | 0 | 0 | 0 | 110.1 | I579 T580 A581 T703 | I579-T642 PolarHBondContact O-N 2.89Å; T580-T642 WeakPolarHBondContact CA-O 3.33Å; A581-T642 PolarHBondContact N-O 2.96Å; T642-T703 WeakPolarHBondContact CA-O 3.32Å |
| 643 | A | 73 | Confident | 71.2 | Confident | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.008 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 127.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | A581 F587 T646 F649 T703 A704 S705 | A581-A643 WeakPolarHBondContact O-CA 3.05Å; F587-A643 HydrophobicContact CD2-CB 4.4Å; F587-A643 HydrophobicContact CE2-CB 4.48Å; A643-T646 HydrophobicContact CB-CG2 4.22Å; A643-F649 HydrophobicContact CB-CD2 4.17Å; A643-F649 HydrophobicContact CB-CE2 4.02Å; A643-T703 PolarHBondContact N-O 3.38Å; A643-A704 WeakPolarHBondContact O-CA 3.15Å; A643-S705 PolarHBondContact O-N 3.08Å |
| 644 | S | 67.3 | Low | 70.5 | Confident | 49 Ų | 49 | 31.4 Ų | 31.4 | 34% | 0.343 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 125.1 | 179 | 41 | 0 | 0 | 0 | 0 | 111.1 | A581 A583 | A581-S644 PolarHBondContact O-N 2.97Å; A581-S644 PolarHBondContact O-OG 2.86Å; A583-S644 PolarHBondContact N-O 2.92Å |
| 645 | A | 59.1 | Low | 69.5 | Low | 54 Ų | 54 | 29 Ų | 29 | 45% | 0.446 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 59.1 | 85.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | T584 S705 | T584-A645 PolarHBondContact N-O 3.04Å; A645-S705 WeakPolarHBondContact CA-O 3.49Å; A645-S705 PolarHBondContact N-O 3.29Å |
| 646 | T | 58.9 | Low | 68.5 | Low | 6 Ų | 6 | 29 Ų | 29 | 4% | 0.037 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 149.4 | -178.1 | 32 | 0 | 0 | 0 | 0 | 110.9 | T584 F587 A643 A706 T707 | T584-T646 VanDerWaalsContact O-CA 3.23Å; T584-T646 WeakPolarHBondContact O-CA 3.38Å; T584-T646 WeakPolarHBondContact OG1-CG2 3.46Å; F587-T646 HydrophobicContact CB-CG2 3.79Å; A643-T646 HydrophobicContact CB-CG2 4.22Å; T646-A706 PolarHBondContact N-O 3.39Å; T646-T707 WeakPolarHBondContact O-CA 3.27Å; T646-T707 VanDerWaalsContact OG1-CG2 3.32Å; T646-T707 WeakPolarHBondContact OG1-CG2 3.5Å; T646-T707 PolarHBondContact OG1-OG1 2.94Å |
| 647 | T | 59.5 | Low | 67.1 | Low | 58 Ų | 58 | 30.6 Ų | 30.6 | 36% | 0.356 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | -38.8 | 170.1 | 57.6 | 0 | 0 | 0 | 0 | 112.1 | T585 T708 N709 | T585-T647 WeakPolarHBondContact O-CA 3.39Å; T585-T647 WeakPolarHBondContact O-CB 3.32Å; T585-T647 PolarHBondContact O-N 2.91Å; T585-T647 PolarHBondContact O-OG1 3.38Å; T647-T708 WeakPolarHBondContact CA-OG1 3.21Å; T647-T708 WeakPolarHBondContact CB-OG1 3.14Å; T647-T708 PolarHBondContact O-N 3.07Å; T647-T708 PolarHBondContact O-OG1 3.47Å; T647-N709 PolarHBondContact O-N 3.19Å |
| 648 | N | 64.7 | Low | 65.9 | Low | 57 Ų | 57 | 30.9 Ų | 30.9 | 31% | 0.305 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 128.6 | 177 | -56.5 | -55.2 | 0 | 0 | 0 | 110.1 | T585 N586 F587 N709 | T585-N648 PolarHBondContact O-N 3.43Å; N586-N648 PolarHBondContact OD1-ND2 2.88Å; F587-N648 PolarHBondContact N-O 3.28Å; N648-N709 WeakPolarHBondContact CA-O 3.36Å; N648-N709 PolarHBondContact OD1-ND2 3.03Å |
| 649 | F | 66.1 | Low | 64.8 | Low | 1 Ų | 1 | 29.7 Ų | 29.7 | 0% | 0.004 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 124.4 | 178.1 | -176.8 | -84.4 | 0 | 0 | 0 | 110.1 | F587 I641 A643 T651 I702 T707 N709 F710 T711 T712 | F587-F649 HydrophobicContact CB-CD2 4.32Å; F587-F649 AromaticContact CD1-CD2 3.38Å; F587-F649 HydrophobicContact CD1-CD2 3.38Å; F587-F649 AromaticContact CD1-CE2 3.37Å; F587-F649 HydrophobicContact CD1-CE2 3.37Å; F587-F649 HydrophobicContact CD1-CG 4.23Å; F587-F649 HydrophobicContact CD1-CZ 4.21Å; F587-F649 AromaticContact CE1-CD2 3.92Å; F587-F649 HydrophobicContact CE1-CD2 3.92Å; F587-F649 AromaticContact CE1-CE2 3.37Å; F587-F649 HydrophobicContact CE1-CE2 3.37Å; F587-F649 AromaticContact CE1-CZ 3.97Å; F587-F649 HydrophobicContact CE1-CZ 3.97Å; F587-F649 HydrophobicContact CG-CD2 4.01Å; F587-F649 HydrophobicContact CG-CE2 4.24Å; F587-F649 HydrophobicContact CZ-CE2 4.24Å; F587-F649 WeakPolarHBondContact O-CA 3.38Å; I641-F649 HydrophobicContact CG2-CE2 3.9Å; I641-F649 HydrophobicContact CG2-CZ 3.92Å; A643-F649 HydrophobicContact CB-CD2 4.17Å; A643-F649 HydrophobicContact CB-CE2 4.02Å; F649-T651 HydrophobicContact CD1-CG2 4.38Å; F649-T651 HydrophobicContact CE1-CG2 3.42Å; F649-T651 VanDerWaalsContact CE1-CG2 3.42Å; F649-T651 HydrophobicContact CZ-CG2 3.54Å; F649-I702 HydrophobicContact CE1-CD1 4.32Å; F649-I702 HydrophobicContact CE1-CG2 3.73Å; F649-I702 HydrophobicContact CE2-CG2 4.26Å; F649-I702 HydrophobicContact CZ-CG2 3.41Å; F649-I702 VanDerWaalsContact CZ-CG2 3.41Å; F649-T707 HydrophobicContact CB-CG2 4.04Å; F649-N709 PolarHBondContact N-O 2.93Å; F649-F710 HydrophobicContact CB-CD2 3.95Å; F649-F710 HydrophobicContact CB-CE2 4.45Å; F649-F710 AromaticContact CD1-CD2 3.63Å; F649-F710 HydrophobicContact CD1-CD2 3.63Å; F649-F710 AromaticContact CD1-CE2 3.34Å; F649-F710 HydrophobicContact CD1-CE2 3.34Å; F649-F710 HydrophobicContact CD1-CG 4.4Å; F649-F710 AromaticContact CD1-CZ 3.93Å; F649-F710 HydrophobicContact CD1-CZ 3.93Å; F649-F710 HydrophobicContact CE1-CD2 4.35Å; F649-F710 AromaticContact CE1-CE2 3.6Å; F649-F710 HydrophobicContact CE1-CE2 3.6Å; F649-F710 AromaticContact CE1-CZ 3.9Å; F649-F710 HydrophobicContact CE1-CZ 3.9Å; F649-F710 AromaticContact CG-CD2 3.87Å; F649-F710 HydrophobicContact CG-CD2 3.87Å; F649-F710 AromaticContact CG-CE2 3.87Å; F649-F710 HydrophobicContact CG-CE2 3.87Å; F649-F710 HydrophobicContact CZ-CE2 4.3Å; F649-T711 WeakPolarHBondContact O-CA 3.5Å; F649-T711 PolarHBondContact O-N 2.93Å; F649-T712 HydrophobicContact CD1-CG2 4.3Å; F649-T712 HydrophobicContact CE1-CG2 3.99Å |
| 650 | T | 66.2 | Low | 64.1 | Low | 52 Ų | 52 | 29.4 Ų | 29.4 | 32% | 0.319 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 129.8 | 177.5 | -53.1 | 0 | 0 | 0 | 0 | 111.2 | F587 T588 T589 T711 | F587-T650 PolarHBondContact O-N 2.96Å; T588-T650 WeakPolarHBondContact CA-O 3.47Å; T589-T650 PolarHBondContact N-O 3.13Å; T650-T711 VanDerWaalsContact CA-O 3.29Å; T650-T711 WeakPolarHBondContact CA-O 3.06Å |
| 651 | T | 53.7 | Low | 63.2 | Low | 8 Ų | 8 | 29.2 Ų | 29.2 | 5% | 0.049 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 139.3 | 173.4 | 50.5 | 0 | 0 | 0 | 0 | 110.9 | T589 I641 F649 I702 T711 T712 T713 | T589-T651 VanDerWaalsContact O-CA 3.32Å; T589-T651 WeakPolarHBondContact O-CA 3.28Å; I641-T651 HydrophobicContact CD1-CG2 3.6Å; F649-T651 HydrophobicContact CD1-CG2 4.38Å; F649-T651 HydrophobicContact CE1-CG2 3.42Å; F649-T651 VanDerWaalsContact CE1-CG2 3.42Å; F649-T651 HydrophobicContact CZ-CG2 3.54Å; T651-I702 HydrophobicContact CG2-CD1 4.36Å; T651-T711 PolarHBondContact N-O 3.49Å; T651-T712 WeakPolarHBondContact OG1-CB 3.05Å; T651-T712 VanDerWaalsContact OG1-CG2 3.3Å; T651-T712 WeakPolarHBondContact OG1-CG2 3.39Å; T651-T713 PolarHBondContact O-N 3.06Å |
| 652 | T | 60.1 | Low | 62.6 | Low | 45 Ų | 45 | 29 Ų | 29 | 28% | 0.276 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 128.8 | 175.7 | -53.1 | 0 | 0 | 0 | 0 | 110.6 | T589 T591 T713 | T589-T652 PolarHBondContact O-N 3.15Å; T591-T652 PolarHBondContact N-O 3.29Å; T652-T713 VanDerWaalsContact CA-O 3.23Å; T652-T713 WeakPolarHBondContact CA-O 3.46Å |
| 653 | T | 56.5 | Low | 61.7 | Low | 8 Ų | 8 | 28.2 Ų | 28.2 | 5% | 0.049 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 136.5 | 171.4 | -45.2 | 0 | 0 | 0 | 0 | 110.4 | T591 T637 T698 T713 T715 | T591-T653 VanDerWaalsContact O-CA 3.26Å; T591-T653 WeakPolarHBondContact O-CA 3.26Å; T637-T653 HydrophobicContact CG2-CG2 3.83Å; T653-T698 HydrophobicContact CG2-CG2 3.83Å; T653-T713 PolarHBondContact N-O 3.3Å; T653-T715 CarbonylContact C-O 3.56Å; T653-T715 CarbonylContact O-C 3.6Å; T653-T715 WeakPolarHBondContact O-CA 3.35Å; T653-T715 PolarHBondContact O-N 2.81Å |
| 654 | T | 58.7 | Low | 61 | Low | 43 Ų | 43 | 28.3 Ų | 28.3 | 26% | 0.264 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 138.4 | -179.2 | 40.8 | 0 | 0 | 0 | 0 | 110.8 | T592 T593 T715 | T592-T654 WeakPolarHBondContact CG2-OG1 3.47Å; T592-T654 PolarHBondContact OG1-OG1 2.9Å; T593-T654 PolarHBondContact N-O 3.49Å; T654-T715 WeakPolarHBondContact CA-O 2.95Å; T654-T715 HydrophobicContact CG2-CG2 4.37Å |
| 655 | T | 58.9 | Low | 60.3 | Low | 14 Ų | 14 | 28 Ų | 28 | 9% | 0.086 | 18% | 0.181 | C | C | . | . | trans | 158.4 | 171.5 | 145.8 | 47.5 | 0 | 0 | 0 | 0 | 116.2 | T592 T593 T594 T717 | T592-T655 HydrophobicContact CG2-CG2 4.37Å; T593-T655 VanDerWaalsContact C-CB 3.48Å; T593-T655 VanDerWaalsContact C-OG1 3.25Å; T593-T655 WeakPolarHBondContact O-CB 3.48Å; T593-T655 WeakPolarHBondContact O-CG2 3.38Å; T593-T655 PolarHBondContact O-OG1 3.49Å; T594-T655 HydrophobicContact CG2-CG2 3.27Å; T594-T655 VanDerWaalsContact N-CG2 3.26Å; T655-T717 CarbonylContact C-O 3.57Å; T655-T717 PolarHBondContact O-N 2.9Å | ||
| 656 | T | 58 | Low | 60.6 | Low | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.012 | 17% | 0.166 | C | C | . | . | cis | -141.3 | -178.8 | 29.4 | 55.5 | 0 | 0 | 0 | 0 | 114.1 | T595 V635 V696 T717 | T595-T656 HydrophobicContact CG2-CG2 4.32Å; T595-T656 VanDerWaalsContact OG1-CB 3.29Å; T595-T656 WeakPolarHBondContact OG1-CB 3.35Å; T595-T656 WeakPolarHBondContact OG1-CG2 3.41Å; V635-T656 HydrophobicContact CB-CG2 3.8Å; V635-T656 HydrophobicContact CG1-CG2 3.81Å; V635-T656 HydrophobicContact CG2-CG2 3.55Å; T656-V696 HydrophobicContact CG2-CG2 4.41Å; T656-T717 CarbonylContact C-O 3.53Å; T656-T717 PolarHBondContact N-O 3.41Å | ||
| 657 | T | 55.8 | Low | 61.3 | Low | 67 Ų | 67 | 26.2 Ų | 26.2 | 41% | 0.411 | 17% | 0.165 | S | C | . | . | B | Isolated β-bridge | trans | -149.5 | 127.6 | 174.6 | -42.2 | 0 | 0 | 0 | 0 | 110.2 | T595 T596 T719 | T595-T657 PolarHBondContact O-N 3.47Å; T595-T657 VanDerWaalsContact O-N 3.13Å; T596-T657 VanDerWaalsContact CA-O 3.29Å; T596-T657 WeakPolarHBondContact CA-O 3.29Å; T657-T719 HydrophobicContact CG2-CG2 4.39Å |
| 658 | D | 57.4 | Low | 62.3 | Low | 7 Ų | 7 | 25.8 Ų | 25.8 | 4% | 0.037 | 16% | 0.161 | C | C | . | . | trans | -127.8 | 157.7 | 178.8 | 179.8 | 29.3 | 0 | 0 | 0 | 110 | A632 P694 T719 | A632-D658 WeakPolarHBondContact CB-OD2 3.48Å; D658-P694 HydrophobicContact CB-CG 4.29Å; D658-T719 PolarHBondContact N-O 2.93Å; D658-T719 VanDerWaalsContact O-O 3.06Å | ||
| 659 | G | 59.2 | Low | 63.1 | Low | 24 Ų | 24 | 23.3 Ų | 23.3 | 25% | 0.247 | 15% | 0.147 | C | C | . | . | trans | -167.7 | 109.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | D597 | D597-G659 PolarHBondContact O-N 2.82Š| ||
| 660 | F | 66.9 | Low | 63.9 | Low | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -74.8 | 125.3 | 169.5 | 177.8 | -87.4 | 0 | 0 | 0 | 113.4 | F599 V628 D630 Q662 V689 D691 G721 F722 N723 | F599-F660 HydrophobicContact CB-CD2 4.04Å; F599-F660 AromaticContact CD1-CD2 3.62Å; F599-F660 HydrophobicContact CD1-CD2 3.62Å; F599-F660 AromaticContact CD1-CE2 3.45Å; F599-F660 HydrophobicContact CD1-CE2 3.45Å; F599-F660 VanDerWaalsContact CD1-CE2 3.45Å; F599-F660 HydrophobicContact CD1-CG 4.38Å; F599-F660 HydrophobicContact CD1-CZ 4.09Å; F599-F660 HydrophobicContact CE1-CD2 4.33Å; F599-F660 AromaticContact CE1-CE2 3.69Å; F599-F660 HydrophobicContact CE1-CE2 3.69Å; F599-F660 HydrophobicContact CE1-CZ 4.07Å; F599-F660 AromaticContact CG-CD2 3.96Å; F599-F660 HydrophobicContact CG-CD2 3.96Å; F599-F660 HydrophobicContact CG-CE2 4.06Å; F599-F660 HydrophobicContact CZ-CE2 4.45Å; V628-F660 HydrophobicContact CG1-CE2 4.4Å; D630-F660 HydrophobicContact CB-CD2 3.47Å; D630-F660 VanDerWaalsContact CB-CD2 3.47Å; D630-F660 HydrophobicContact CB-CE2 3.83Å; D630-F660 VanDerWaalsContact OD2-CD2 3.31Å; D630-F660 WeakPolarHBondContact OD2-CD2 3.44Å; F660-Q662 HydrophobicContact CE1-CB 3.61Å; F660-Q662 HydrophobicContact CZ-CB 3.77Å; F660-V689 HydrophobicContact CE1-CG1 4.32Å; F660-V689 HydrophobicContact CE2-CG1 4.35Å; F660-V689 HydrophobicContact CZ-CG1 3.65Å; F660-D691 WeakPolarHBondContact CB-OD2 3.44Å; F660-D691 HydrophobicContact CD2-CB 4.31Å; F660-D691 HydrophobicContact CG-CB 4.35Å; F660-D691 WeakPolarHBondContact CG-OD2 3.35Å; F660-G721 PolarHBondContact N-O 3.04Å; F660-F722 HydrophobicContact CB-CD2 4.48Å; F660-F722 AromaticContact CD1-CD2 3.39Å; F660-F722 HydrophobicContact CD1-CD2 3.39Å; F660-F722 AromaticContact CD1-CE2 3.57Å; F660-F722 HydrophobicContact CD1-CE2 3.57Å; F660-F722 HydrophobicContact CD1-CG 4.1Å; F660-F722 HydrophobicContact CD1-CZ 4.39Å; F660-F722 AromaticContact CE1-CD2 3.71Å; F660-F722 HydrophobicContact CE1-CD2 3.71Å; F660-F722 AromaticContact CE1-CE2 3.34Å; F660-F722 HydrophobicContact CE1-CE2 3.34Å; F660-F722 AromaticContact CE1-CZ 3.95Å; F660-F722 HydrophobicContact CE1-CZ 3.95Å; F660-F722 AromaticContact CG-CD2 4Å; F660-F722 HydrophobicContact CG-CD2 4Å; F660-F722 HydrophobicContact CG-CE2 4.37Å; F660-F722 AromaticContact CZ-CE2 3.97Å; F660-F722 HydrophobicContact CZ-CE2 3.97Å; F660-N723 PolarHBondContact O-N 3.07Å | ||
| 661 | N | 65.1 | Low | 64.8 | Low | 57 Ų | 57 | 23.1 Ų | 23.1 | 31% | 0.305 | 15% | 0.151 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 101.4 | 175 | -161.2 | -33 | 0 | 0 | 0 | 113.9 | F599 N600 Q601 N723 | F599-N661 CarbonylContact O-C 3.08Å; F599-N661 VanDerWaalsContact O-CA 3.29Å; F599-N661 WeakPolarHBondContact O-CA 3.48Å; F599-N661 PolarHBondContact O-N 3.25Å; F599-N661 VanDerWaalsContact O-O 3.09Å; N600-N661 WeakPolarHBondContact CA-O 3.13Å; Q601-N661 PolarHBondContact N-O 2.72Å; Q601-N661 VanDerWaalsContact N-O 3.07Å; N661-N723 WeakPolarHBondContact CA-O 3.14Å |
| 662 | Q | 69.3 | Low | 66.4 | Low | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 95.7 | 168.9 | -173.2 | 178.5 | 107.2 | 0 | 0 | 111.6 | F660 K664 N723 S725 | F660-Q662 HydrophobicContact CE1-CB 3.61Å; F660-Q662 HydrophobicContact CZ-CB 3.77Å; Q662-K664 HydrophobicContact CG-CD 4.33Å; Q662-K664 HydrophobicContact CG-CG 4.3Å; Q662-N723 PolarHBondContact N-O 3.49Å; Q662-S725 PolarHBondContact O-N 3.44Å; Q662-S725 VanDerWaalsContact O-N 3.11Å |
| 663 | S | 61.4 | Low | 67.5 | Low | 40 Ų | 40 | 23 Ų | 23 | 28% | 0.28 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 106.8 | 175.1 | 61.2 | 0 | 0 | 0 | 0 | 112.4 | Q601 S602 K603 S725 | Q601-S663 PolarHBondContact O-N 3.36Å; Q601-S663 VanDerWaalsContact O-O 3.12Å; S602-S663 VanDerWaalsContact CA-O 3.31Å; S602-S663 WeakPolarHBondContact CA-O 3.46Å; K603-S663 PolarHBondContact N-O 3.03Å; S663-S725 WeakPolarHBondContact CA-O 3.07Å |
| 664 | K | 58.2 | Low | 68.8 | Low | 3 Ų | 3 | 24.4 Ų | 24.4 | 1% | 0.013 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 129.8 | 178.3 | -64.2 | 178.2 | 179.3 | 148.9 | 0 | 112.2 | K603 Y626 Q662 S666 S725 K726 S727 | K603-K664 HydrophobicContact CB-CG 4.3Å; Y626-K664 PolarHBondContact OH-NZ 3.43Å; Q662-K664 HydrophobicContact CG-CD 4.33Å; Q662-K664 HydrophobicContact CG-CG 4.3Å; K664-S666 PolarHBondContact O-N 2.86Å; K664-S725 PolarHBondContact N-O 3.12Å; K664-K726 HydrophobicContact CB-CG 4.31Å; K664-K726 WeakPolarHBondContact O-CA 2.83Å; K664-S727 PolarHBondContact O-N 2.73Å; K664-S727 PolarHBondContact O-OG 3.12Å |
| 665 | S | 51.7 | Low | 69.9 | Low | 42 Ų | 42 | 22.4 Ų | 22.4 | 29% | 0.294 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -60.7 | -38 | 169.9 | 58.4 | 0 | 0 | 0 | 0 | 114.2 | K603 S604 S605 S727 | K603-S665 PolarHBondContact O-N 2.89Å; K603-S665 PolarHBondContact O-OG 2.8Å; S604-S665 WeakPolarHBondContact CA-OG 2.94Å; S604-S665 PolarHBondContact O-OG 3.06Å; S605-S665 PolarHBondContact N-OG 2.82Å; S665-S727 WeakPolarHBondContact CA-OG 3.19Å; S665-S727 WeakPolarHBondContact O-CB 3.4Å; S665-S727 PolarHBondContact O-OG 2.92Å |
| 666 | S | 67.1 | Low | 70.7 | Confident | 21 Ų | 21 | 23.6 Ų | 23.6 | 15% | 0.147 | 16% | 0.158 | C | C | . | . | trans | -170.9 | 137.8 | 176.3 | 52.7 | 0 | 0 | 0 | 0 | 111.5 | S605 L606 K664 S728 | S605-S666 WeakPolarHBondContact CB-OG 3.33Å; L606-S666 PolarHBondContact N-O 3.23Å; K664-S666 PolarHBondContact O-N 2.86Å; S666-S728 WeakPolarHBondContact CA-O 3.5Å; S666-S728 WeakPolarHBondContact CB-OG 3.03Å | ||
| 667 | L | 73.7 | Confident | 71.4 | Confident | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 109.4 | 166.4 | 171.4 | 54.5 | 0 | 0 | 0 | 108.1 | L606 V669 Y687 S728 L729 N730 | L606-L667 HydrophobicContact CB-CD1 3.83Å; L606-L667 HydrophobicContact CD2-CD1 3.54Å; L606-L667 HydrophobicContact CG-CD1 3.49Å; L606-L667 VanDerWaalsContact CG-CD1 3.49Å; L667-V669 HydrophobicContact CD1-CG2 3.46Å; L667-V669 VanDerWaalsContact CD1-CG2 3.46Å; L667-V669 HydrophobicContact CD2-CG2 4.46Å; L667-V669 HydrophobicContact CG-CG2 3.87Å; L667-Y687 HydrophobicContact CD2-CD2 4.33Å; L667-Y687 HydrophobicContact CD2-CE2 3.57Å; L667-S728 PolarHBondContact N-O 3.12Å; L667-L729 HydrophobicContact CB-CD1 3.81Å; L667-L729 HydrophobicContact CD2-CD1 3.56Å; L667-L729 HydrophobicContact CG-CD1 3.55Å; L667-N730 PolarHBondContact O-N 2.94Å |
| 668 | N | 79.4 | Confident | 71.9 | Confident | 50 Ų | 50 | 24.6 Ų | 24.6 | 27% | 0.267 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 111.2 | 177.1 | -59 | -52.1 | 0 | 0 | 0 | 109.1 | L606 N607 V608 N730 | L606-N668 PolarHBondContact O-N 2.84Å; N607-N668 WeakPolarHBondContact CA-O 2.91Å; N607-N668 WeakPolarHBondContact OD1-CB 3.45Å; N607-N668 PolarHBondContact OD1-ND2 3.01Å; V608-N668 PolarHBondContact N-O 3.13Å; N668-N730 CarbonylContact C-O 3.59Å; N668-N730 WeakPolarHBondContact CA-O 3.24Å; N668-N730 WeakPolarHBondContact OD1-CB 3.48Å; N668-N730 PolarHBondContact OD1-ND2 2.84Å |
| 669 | V | 81.5 | Confident | 72.9 | Confident | 4 Ų | 4 | 26.5 Ų | 26.5 | 2% | 0.024 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 118.4 | 179 | -173.3 | 0 | 0 | 0 | 0 | 108.8 | V608 F624 L667 V671 F685 N730 V731 A732 | V608-V669 HydrophobicContact CB-CG1 4.44Å; V608-V669 WeakPolarHBondContact O-CA 3.38Å; F624-V669 HydrophobicContact CE1-CG1 3.91Å; F624-V669 HydrophobicContact CE2-CG1 3.84Å; F624-V669 HydrophobicContact CZ-CG1 3.46Å; F624-V669 VanDerWaalsContact CZ-CG1 3.46Å; F624-V669 HydrophobicContact CZ-CG2 4.44Å; L667-V669 HydrophobicContact CD1-CG2 3.46Å; L667-V669 VanDerWaalsContact CD1-CG2 3.46Å; L667-V669 HydrophobicContact CD2-CG2 4.46Å; L667-V669 HydrophobicContact CG-CG2 3.87Å; V669-V671 HydrophobicContact CG1-CG2 3.9Å; V669-F685 HydrophobicContact CB-CE2 4.5Å; V669-F685 HydrophobicContact CG1-CE2 3.69Å; V669-F685 HydrophobicContact CG1-CZ 4.17Å; V669-N730 PolarHBondContact N-O 2.8Å; V669-V731 HydrophobicContact CB-CG1 4.46Å; V669-V731 HydrophobicContact CB-CG2 4.48Å; V669-V731 CarbonylContact O-C 3.59Å; V669-V731 WeakPolarHBondContact O-CA 3.4Å; V669-A732 PolarHBondContact O-N 3.08Å |
| 670 | A | 82.5 | Confident | 73.9 | Confident | 48 Ų | 48 | 27.4 Ų | 27.4 | 40% | 0.397 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 110.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | V608 A609 V610 A732 | V608-A670 PolarHBondContact O-N 3.39Å; A609-A670 CarbonylContact C-O 3.56Å; A609-A670 WeakPolarHBondContact CA-O 3.42Å; V610-A670 PolarHBondContact N-O 2.96Å; A670-A732 CarbonylContact C-O 3.6Å; A670-A732 WeakPolarHBondContact CA-O 3.37Å |
| 671 | V | 86 | Confident | 74.8 | Confident | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.012 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 122.3 | 176.3 | -173.7 | 0 | 0 | 0 | 0 | 108.3 | V610 F624 V669 F685 A732 V733 S734 | V610-V671 WeakPolarHBondContact O-CA 3.42Å; F624-V671 HydrophobicContact CB-CG2 4.33Å; F624-V671 HydrophobicContact CD2-CG2 3.75Å; F624-V671 HydrophobicContact CE2-CG2 4.22Å; F624-V671 HydrophobicContact CG-CG2 3.99Å; V669-V671 HydrophobicContact CG1-CG2 3.9Å; V671-F685 HydrophobicContact CG2-CD2 3.94Å; V671-F685 HydrophobicContact CG2-CE2 3.98Å; V671-A732 PolarHBondContact N-O 3.27Å; V671-V733 WeakPolarHBondContact O-CA 3.31Å; V671-S734 PolarHBondContact O-N 3.46Å; V671-S734 PolarHBondContact O-OG 2.98Å |
| 672 | S | 86.6 | Confident | 75.8 | Confident | 46 Ų | 46 | 27 Ų | 27 | 32% | 0.322 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 134.5 | 179.2 | 60 | 0 | 0 | 0 | 0 | 110.9 | V610 S611 A612 Q622 S734 | V610-S672 PolarHBondContact O-N 3.29Å; V610-S672 PolarHBondContact O-OG 2.84Å; S611-S672 WeakPolarHBondContact CA-O 3.4Å; S611-S672 WeakPolarHBondContact CB-OG 3.37Å; A612-S672 PolarHBondContact N-O 2.89Å; Q622-S672 PolarHBondContact NE2-O 2.84Å; Q622-S672 VanDerWaalsContact NE2-O 3.15Å; S672-S734 WeakPolarHBondContact CA-O 3.44Å; S672-S734 WeakPolarHBondContact CB-OG 3.35Å |
| 673 | A | 84.8 | Confident | 76.5 | Confident | 4 Ų | 4 | 27.3 Ų | 27.3 | 3% | 0.033 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 138 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | A612 F620 Q622 F681 S734 A735 S736 | A612-A673 WeakPolarHBondContact O-CA 3.48Å; F620-A673 HydrophobicContact CE1-CB 3.38Å; F620-A673 HydrophobicContact CZ-CB 3.39Å; Q622-A673 VanDerWaalsContact OE1-CB 3.3Å; A673-F681 HydrophobicContact CB-CE2 3.8Å; A673-F681 HydrophobicContact CB-CZ 3.51Å; A673-S734 PolarHBondContact N-O 3Å; A673-A735 WeakPolarHBondContact O-CA 3.44Å; A673-S736 PolarHBondContact O-N 2.72Å; A673-S736 VanDerWaalsContact O-N 3.1Å |
| 674 | S | 82.4 | Confident | 77.4 | Confident | 38 Ų | 38 | 26.9 Ų | 26.9 | 27% | 0.266 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 120.9 | -179.7 | -172.9 | 0 | 0 | 0 | 0 | 110.6 | A612 S613 N614 P676 | A612-S674 PolarHBondContact O-N 3.01Å; A612-S674 VanDerWaalsContact O-N 3.09Å; S613-S674 WeakPolarHBondContact CA-O 3.49Å; N614-S674 PolarHBondContact N-O 2.91Å; S674-P676 VanDerWaalsContact C-CD 3.49Å; S674-P676 VanDerWaalsContact OG-CD 3.26Å; S674-P676 WeakPolarHBondContact OG-CD 3.23Å |
| 675 | N | 81.9 | Confident | 78.8 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -132.1 | 76 | 170.4 | -173.7 | -3.7 | 0 | 0 | 0 | 110.7 | N614 G617 F620 V677 G678 F681 S736 N737 | N614-N675 WeakPolarHBondContact O-CA 3.47Å; N614-N675 VanDerWaalsContact O-CG 3.23Å; N614-N675 PolarHBondContact O-OD1 2.98Å; G617-N675 PolarHBondContact O-ND2 3.17Å; G617-N675 PolarHBondContact O-OD1 2.74Å; F620-N675 HydrophobicContact CB-CB 4.12Å; F620-N675 WeakPolarHBondContact CB-ND2 3.49Å; F620-N675 HydrophobicContact CD2-CB 4.36Å; F620-N675 HydrophobicContact CG-CB 4.26Å; N675-V677 VanDerWaalsContact C-N 3.27Å; N675-V677 PolarHBondContact O-N 2.93Å; N675-V677 VanDerWaalsContact O-N 3.14Å; N675-G678 WeakPolarHBondContact ND2-CA 3.49Å; N675-G678 WeakPolarHBondContact OD1-CA 3.18Å; N675-G678 PolarHBondContact OD1-N 2.84Å; N675-F681 HydrophobicContact CB-CD2 3.66Å; N675-F681 HydrophobicContact CB-CE2 4.19Å; N675-S736 PolarHBondContact N-O 2.85Å; N675-N737 WeakPolarHBondContact O-CA 3.36Å; N675-N737 VanDerWaalsContact O-CG 3.28Å; N675-N737 PolarHBondContact O-OD1 2.96Å | ||
| 676 | P | 75.4 | Confident | 80.4 | Confident | 39 Ų | 39 | 27.7 Ų | 27.7 | 25% | 0.253 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -31.7 | -170 | -14.7 | -1.2 | 0 | 0 | 0 | 117.4 | P615 S674 P738 V739 | P615-P676 HydrophobicContact CB-CG 4.2Å; S674-P676 VanDerWaalsContact C-CD 3.49Å; S674-P676 VanDerWaalsContact OG-CD 3.26Å; S674-P676 WeakPolarHBondContact OG-CD 3.23Å; P676-P738 WeakPolarHBondContact O-CD 3.36Å; P676-V739 WeakPolarHBondContact O-CB 3.37Å; P676-V739 VanDerWaalsContact O-CG2 3.28Å; P676-V739 WeakPolarHBondContact O-CG2 3.41Å; P676-V739 PolarHBondContact O-N 2.77Å |
| 677 | V | 72.2 | Confident | 81.1 | Confident | 89 Ų | 89 | 26.8 Ų | 26.8 | 54% | 0.539 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.9 | 5.1 | -170.2 | -161.2 | 0 | 0 | 0 | 0 | 112.6 | P615 N675 | P615-V677 WeakPolarHBondContact O-CB 3.33Å; P615-V677 VanDerWaalsContact O-CG2 3.26Å; P615-V677 WeakPolarHBondContact O-CG2 3.45Å; P615-V677 PolarHBondContact O-N 3.06Å; N675-V677 VanDerWaalsContact C-N 3.27Å; N675-V677 PolarHBondContact O-N 2.93Å; N675-V677 VanDerWaalsContact O-N 3.14Å |
| 678 | G | 68.2 | Low | 81.5 | Confident | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | trans | -86.6 | 142.9 | -170.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | G617 N675 N737 G740 | G617-G678 WeakPolarHBondContact O-CA 3.39Å; N675-G678 WeakPolarHBondContact ND2-CA 3.49Å; N675-G678 WeakPolarHBondContact OD1-CA 3.18Å; N675-G678 PolarHBondContact OD1-N 2.84Å; G678-N737 PolarHBondContact O-ND2 2.9Å; G678-N737 PolarHBondContact O-OD1 3.35Å; G678-G740 WeakPolarHBondContact O-CA 3.38Å | ||
| 679 | S | 78.2 | Confident | 81.6 | Confident | 48 Ų | 48 | 25.4 Ų | 25.4 | 34% | 0.336 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -63.4 | -42.1 | -178.8 | 37.3 | 0 | 0 | 0 | 0 | 114.1 | S618 S741 T742 | S618-S679 WeakPolarHBondContact CA-OG 3.2Å; S618-S679 PolarHBondContact O-N 3.27Å; S618-S679 PolarHBondContact O-OG 2.8Å; S679-S741 PolarHBondContact O-N 3.1Å; S679-S741 PolarHBondContact O-OG 3.27Å; S679-T742 PolarHBondContact O-N 3.29Å |
| 680 | T | 80.1 | Confident | 81.8 | Confident | 42 Ų | 42 | 27.4 Ų | 27.4 | 26% | 0.258 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 124.2 | -173.6 | -49.6 | 0 | 0 | 0 | 0 | 110.6 | S618 F620 | S618-T680 PolarHBondContact O-N 2.83Å; F620-T680 PolarHBondContact N-O 2.93Å |
| 681 | F | 85.7 | Confident | 81.8 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 121.4 | 178.4 | -178.6 | -81.1 | 0 | 0 | 0 | 110.7 | F620 A673 N675 Q683 A735 N737 T742 F743 N744 | F620-F681 HydrophobicContact CB-CD2 4.1Å; F620-F681 AromaticContact CD1-CD2 3.48Å; F620-F681 HydrophobicContact CD1-CD2 3.48Å; F620-F681 VanDerWaalsContact CD1-CD2 3.48Å; F620-F681 AromaticContact CD1-CE2 3.4Å; F620-F681 HydrophobicContact CD1-CE2 3.4Å; F620-F681 VanDerWaalsContact CD1-CE2 3.4Å; F620-F681 HydrophobicContact CD1-CG 4.29Å; F620-F681 HydrophobicContact CD1-CZ 4.11Å; F620-F681 HydrophobicContact CE1-CD2 4.13Å; F620-F681 AromaticContact CE1-CE2 3.54Å; F620-F681 HydrophobicContact CE1-CE2 3.54Å; F620-F681 AromaticContact CE1-CZ 4Å; F620-F681 HydrophobicContact CE1-CZ 4Å; F620-F681 AromaticContact CG-CD2 3.92Å; F620-F681 HydrophobicContact CG-CD2 3.92Å; F620-F681 HydrophobicContact CG-CE2 4.1Å; F620-F681 HydrophobicContact CZ-CE2 4.29Å; A673-F681 HydrophobicContact CB-CE2 3.8Å; A673-F681 HydrophobicContact CB-CZ 3.51Å; N675-F681 HydrophobicContact CB-CD2 3.66Å; N675-F681 HydrophobicContact CB-CE2 4.19Å; F681-Q683 HydrophobicContact CE1-CB 3.66Å; F681-Q683 HydrophobicContact CZ-CB 4.12Å; F681-A735 HydrophobicContact CE1-CB 3.37Å; F681-A735 HydrophobicContact CZ-CB 3.41Å; F681-A735 VanDerWaalsContact CZ-CB 3.41Å; F681-N737 HydrophobicContact CB-CB 4.19Å; F681-N737 WeakPolarHBondContact CB-ND2 3.33Å; F681-N737 HydrophobicContact CD2-CB 4.41Å; F681-N737 HydrophobicContact CG-CB 4.29Å; F681-T742 PolarHBondContact N-O 3.03Å; F681-F743 HydrophobicContact CB-CD2 4.19Å; F681-F743 AromaticContact CD1-CD2 3.52Å; F681-F743 HydrophobicContact CD1-CD2 3.52Å; F681-F743 AromaticContact CD1-CE2 3.48Å; F681-F743 HydrophobicContact CD1-CE2 3.48Å; F681-F743 VanDerWaalsContact CD1-CE2 3.48Å; F681-F743 HydrophobicContact CD1-CG 4.38Å; F681-F743 HydrophobicContact CD1-CZ 4.26Å; F681-F743 HydrophobicContact CE1-CD2 4.15Å; F681-F743 AromaticContact CE1-CE2 3.61Å; F681-F743 HydrophobicContact CE1-CE2 3.61Å; F681-F743 HydrophobicContact CE1-CZ 4.15Å; F681-F743 HydrophobicContact CG-CD2 4.01Å; F681-F743 HydrophobicContact CG-CE2 4.22Å; F681-F743 HydrophobicContact CZ-CE2 4.39Å; F681-N744 PolarHBondContact O-N 2.8Å |
| 682 | N | 85.5 | Confident | 81.6 | Confident | 49 Ų | 49 | 26.7 Ų | 26.7 | 26% | 0.262 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 122.9 | 174.1 | -57 | -55.5 | 0 | 0 | 0 | 110.1 | F620 N621 Q622 N744 | F620-N682 PolarHBondContact O-N 3.37Å; N621-N682 WeakPolarHBondContact CA-O 3.26Å; N621-N682 PolarHBondContact OD1-ND2 3.16Å; Q622-N682 PolarHBondContact N-O 2.92Å; N682-N744 WeakPolarHBondContact CA-O 3.42Å; N682-N744 PolarHBondContact OD1-ND2 2.85Å |
| 683 | Q | 84.8 | Confident | 81 | Confident | 6 Ų | 6 | 25 Ų | 25 | 3% | 0.028 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 121.7 | 170.7 | -178.6 | -175.4 | 63 | 0 | 0 | 109.4 | Q622 F681 S734 N744 Q745 G746 | Q622-Q683 CarbonylContact O-C 3.59Å; Q622-Q683 WeakPolarHBondContact O-CA 3.22Å; F681-Q683 HydrophobicContact CE1-CB 3.66Å; F681-Q683 HydrophobicContact CZ-CB 4.12Å; Q683-S734 PolarHBondContact NE2-O 3.4Å; Q683-S734 VanDerWaalsContact NE2-O 3.14Å; Q683-N744 PolarHBondContact N-O 3.44Å; Q683-Q745 CarbonylContact O-C 3.42Å; Q683-Q745 WeakPolarHBondContact O-CA 3.26Å; Q683-G746 PolarHBondContact O-N 3.32Å |
| 684 | G | 80.7 | Confident | 80.5 | Confident | 31 Ų | 31 | 24.8 Ų | 24.8 | 32% | 0.32 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 133 | 175 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q622 F624 | Q622-G684 PolarHBondContact O-N 2.9Å; F624-G684 PolarHBondContact N-O 2.85Å |
| 685 | F | 86 | Confident | 80.3 | Confident | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.009 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 120.2 | 172 | -176 | -81.6 | 0 | 0 | 0 | 109.4 | F624 V669 V671 V731 V733 G746 F747 T748 | F624-F685 HydrophobicContact CB-CD2 3.99Å; F624-F685 AromaticContact CD1-CD2 3.44Å; F624-F685 HydrophobicContact CD1-CD2 3.44Å; F624-F685 VanDerWaalsContact CD1-CD2 3.44Å; F624-F685 AromaticContact CD1-CE2 3.22Å; F624-F685 HydrophobicContact CD1-CE2 3.22Å; F624-F685 HydrophobicContact CD1-CG 4.25Å; F624-F685 AromaticContact CD1-CZ 3.88Å; F624-F685 HydrophobicContact CD1-CZ 3.88Å; F624-F685 HydrophobicContact CE1-CD2 4.15Å; F624-F685 AromaticContact CE1-CE2 3.44Å; F624-F685 HydrophobicContact CE1-CE2 3.44Å; F624-F685 VanDerWaalsContact CE1-CE2 3.44Å; F624-F685 AromaticContact CE1-CZ 3.81Å; F624-F685 HydrophobicContact CE1-CZ 3.81Å; F624-F685 AromaticContact CG-CD2 3.84Å; F624-F685 HydrophobicContact CG-CD2 3.84Å; F624-F685 AromaticContact CG-CE2 3.91Å; F624-F685 HydrophobicContact CG-CE2 3.91Å; F624-F685 HydrophobicContact CZ-CE2 4.27Å; F624-F685 CarbonylContact O-C 3.59Å; F624-F685 WeakPolarHBondContact O-CA 3.39Å; V669-F685 HydrophobicContact CB-CE2 4.5Å; V669-F685 HydrophobicContact CG1-CE2 3.69Å; V669-F685 HydrophobicContact CG1-CZ 4.17Å; V671-F685 HydrophobicContact CG2-CD2 3.94Å; V671-F685 HydrophobicContact CG2-CE2 3.98Å; F685-V731 HydrophobicContact CE1-CG1 3.89Å; F685-V731 HydrophobicContact CE2-CG1 3.84Å; F685-V731 HydrophobicContact CZ-CG1 3.45Å; F685-V731 VanDerWaalsContact CZ-CG1 3.45Å; F685-V731 HydrophobicContact CZ-CG2 4.42Å; F685-V733 HydrophobicContact CB-CG2 4.33Å; F685-V733 HydrophobicContact CD2-CG2 3.75Å; F685-V733 HydrophobicContact CE2-CG2 4.22Å; F685-V733 HydrophobicContact CG-CG2 3.99Å; F685-G746 PolarHBondContact N-O 3.25Å; F685-F747 HydrophobicContact CB-CD2 4.03Å; F685-F747 AromaticContact CD1-CD2 3.45Å; F685-F747 HydrophobicContact CD1-CD2 3.45Å; F685-F747 VanDerWaalsContact CD1-CD2 3.45Å; F685-F747 AromaticContact CD1-CE2 3.26Å; F685-F747 HydrophobicContact CD1-CE2 3.26Å; F685-F747 HydrophobicContact CD1-CG 4.32Å; F685-F747 HydrophobicContact CD1-CZ 4Å; F685-F747 HydrophobicContact CE1-CD2 4.16Å; F685-F747 AromaticContact CE1-CE2 3.48Å; F685-F747 HydrophobicContact CE1-CE2 3.48Å; F685-F747 VanDerWaalsContact CE1-CE2 3.48Å; F685-F747 AromaticContact CE1-CZ 3.95Å; F685-F747 HydrophobicContact CE1-CZ 3.95Å; F685-F747 AromaticContact CG-CD2 3.88Å; F685-F747 HydrophobicContact CG-CD2 3.88Å; F685-F747 AromaticContact CG-CE2 3.99Å; F685-F747 HydrophobicContact CG-CE2 3.99Å; F685-F747 HydrophobicContact CZ-CE2 4.34Å; F685-F747 CarbonylContact O-C 3.57Å; F685-F747 WeakPolarHBondContact O-CA 3.28Å; F685-T748 PolarHBondContact O-N 2.86Å |
| 686 | T | 85.5 | Confident | 80.1 | Confident | 60 Ų | 60 | 26.9 Ų | 26.9 | 37% | 0.368 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 124.3 | 177.5 | -57.4 | 0 | 0 | 0 | 0 | 109.7 | F624 T625 Y626 T748 | F624-T686 PolarHBondContact O-N 2.85Å; T625-T686 WeakPolarHBondContact CA-O 3.41Å; Y626-T686 PolarHBondContact N-O 3.46Å; T686-T748 WeakPolarHBondContact CA-O 3.44Å |
| 687 | Y | 83.1 | Confident | 80.5 | Confident | 3 Ų | 3 | 26.4 Ų | 26.4 | 1% | 0.012 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 118.6 | 169.2 | -179.7 | -79.5 | 0 | 0 | 0 | 108.1 | Y626 L667 V689 K726 T748 Y749 G750 | Y626-Y687 AromaticContact CD1-CD2 3.45Å; Y626-Y687 HydrophobicContact CD1-CD2 3.45Å; Y626-Y687 VanDerWaalsContact CD1-CD2 3.45Å; Y626-Y687 AromaticContact CD1-CE2 3.22Å; Y626-Y687 HydrophobicContact CD1-CE2 3.22Å; Y626-Y687 HydrophobicContact CD1-CG 4.29Å; Y626-Y687 AromaticContact CD1-CZ 3.88Å; Y626-Y687 HydrophobicContact CE1-CD2 4.19Å; Y626-Y687 AromaticContact CE1-CE2 3.47Å; Y626-Y687 HydrophobicContact CE1-CE2 3.47Å; Y626-Y687 VanDerWaalsContact CE1-CE2 3.47Å; Y626-Y687 AromaticContact CE1-CZ 3.85Å; Y626-Y687 AromaticContact CG-CD2 3.9Å; Y626-Y687 HydrophobicContact CG-CD2 3.9Å; Y626-Y687 AromaticContact CG-CE2 3.95Å; Y626-Y687 HydrophobicContact CG-CE2 3.95Å; L667-Y687 HydrophobicContact CD2-CD2 4.33Å; L667-Y687 HydrophobicContact CD2-CE2 3.57Å; Y687-V689 HydrophobicContact CE1-CG2 3.69Å; Y687-V689 WeakPolarHBondContact OH-CG2 3.4Å; Y687-K726 PolarHBondContact OH-NZ 3.38Å; Y687-T748 PolarHBondContact N-O 3.46Å; Y687-Y749 AromaticContact CD1-CD2 3.44Å; Y687-Y749 HydrophobicContact CD1-CD2 3.44Å; Y687-Y749 VanDerWaalsContact CD1-CD2 3.44Å; Y687-Y749 AromaticContact CD1-CE2 3.25Å; Y687-Y749 HydrophobicContact CD1-CE2 3.25Å; Y687-Y749 HydrophobicContact CD1-CG 4.27Å; Y687-Y749 AromaticContact CD1-CZ 3.92Å; Y687-Y749 HydrophobicContact CE1-CD2 4.19Å; Y687-Y749 AromaticContact CE1-CE2 3.51Å; Y687-Y749 HydrophobicContact CE1-CE2 3.51Å; Y687-Y749 AromaticContact CE1-CZ 3.9Å; Y687-Y749 AromaticContact CG-CD2 3.88Å; Y687-Y749 HydrophobicContact CG-CD2 3.88Å; Y687-Y749 AromaticContact CG-CE2 3.96Å; Y687-Y749 HydrophobicContact CG-CE2 3.96Å; Y687-G750 PolarHBondContact O-N 2.84Å |
| 688 | G | 81.7 | Confident | 80.8 | Confident | 22 Ų | 22 | 22.5 Ų | 22.5 | 23% | 0.227 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 134.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111 | Y626 G627 V628 G750 | Y626-G688 PolarHBondContact O-N 3.15Å; G627-G688 WeakPolarHBondContact CA-O 3.38Å; V628-G688 PolarHBondContact N-O 3.38Å; V628-G688 VanDerWaalsContact N-O 3.13Å; G688-G750 WeakPolarHBondContact CA-O 3.42Å |
| 689 | V | 82.1 | Confident | 81.4 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 127.7 | 159.8 | 178.8 | 0 | 0 | 0 | 0 | 106.5 | V628 F660 Y687 F722 G750 V751 T752 | V628-V689 HydrophobicContact CB-CG1 4.49Å; V628-V689 HydrophobicContact CB-CG2 4.35Å; V628-V689 CarbonylContact O-C 3.5Å; V628-V689 VanDerWaalsContact O-CA 3.29Å; V628-V689 WeakPolarHBondContact O-CA 3.48Å; F660-V689 HydrophobicContact CE1-CG1 4.32Å; F660-V689 HydrophobicContact CE2-CG1 4.35Å; F660-V689 HydrophobicContact CZ-CG1 3.65Å; Y687-V689 HydrophobicContact CE1-CG2 3.69Å; Y687-V689 WeakPolarHBondContact OH-CG2 3.4Å; V689-F722 HydrophobicContact CG1-CE2 4.01Å; V689-F722 HydrophobicContact CG1-CZ 4.3Å; V689-G750 PolarHBondContact N-O 3.01Å; V689-G750 VanDerWaalsContact N-O 3.11Å; V689-V751 HydrophobicContact CB-CG2 4.38Å; V689-V751 CarbonylContact O-C 3.44Å; V689-V751 VanDerWaalsContact O-CA 3.3Å; V689-V751 WeakPolarHBondContact O-CA 3.34Å; V689-T752 PolarHBondContact O-N 2.9Å |
| 690 | T | 84.2 | Confident | 81.4 | Confident | 45 Ų | 45 | 22.9 Ų | 22.9 | 28% | 0.276 | 15% | 0.146 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 129.3 | 176.6 | -61.5 | 0 | 0 | 0 | 0 | 107.2 | V628 T629 D630 T692 T752 | V628-T690 PolarHBondContact O-N 3.48Å; T629-T690 WeakPolarHBondContact CA-O 3.32Å; D630-T690 PolarHBondContact N-O 3.28Å; T690-T692 HydrophobicContact CG2-CG2 3.85Å; T690-T752 WeakPolarHBondContact CA-O 3.33Å |
| 691 | D | 82.3 | Confident | 81.6 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 133.4 | 166.3 | -171.3 | 14.1 | 0 | 0 | 0 | 106.2 | F660 F722 T752 T754 | F660-D691 WeakPolarHBondContact CB-OD2 3.44Å; F660-D691 HydrophobicContact CD2-CB 4.31Å; F660-D691 HydrophobicContact CG-CB 4.35Å; F660-D691 WeakPolarHBondContact CG-OD2 3.35Å; D691-F722 HydrophobicContact CB-CD2 3.54Å; D691-F722 HydrophobicContact CB-CE2 4.02Å; D691-F722 WeakPolarHBondContact OD2-CD2 3.26Å; D691-T752 PolarHBondContact N-O 2.71Å; D691-T754 PolarHBondContact O-N 2.88Å |
| 692 | T | 82 | Confident | 81.2 | Confident | 36 Ų | 36 | 24.1 Ų | 24.1 | 22% | 0.221 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 109.2 | 176.6 | 58.4 | 0 | 0 | 0 | 0 | 109.8 | D630 T631 A632 T690 T754 | D630-T692 PolarHBondContact O-N 2.81Å; D630-T692 VanDerWaalsContact O-N 3.14Å; D630-T692 PolarHBondContact O-OG1 2.83Å; T631-T692 VanDerWaalsContact CA-OG1 3.25Å; T631-T692 WeakPolarHBondContact CA-OG1 3.48Å; T631-T692 WeakPolarHBondContact CG2-OG1 3.41Å; T631-T692 PolarHBondContact OG1-OG1 3.08Å; A632-T692 WeakPolarHBondContact CB-O 3.41Å; A632-T692 PolarHBondContact N-O 3.01Å; T690-T692 HydrophobicContact CG2-CG2 3.85Å; T692-T754 WeakPolarHBondContact CA-OG1 3.29Å; T692-T754 HydrophobicContact CG2-CG2 4.46Å |
| 693 | A | 73.8 | Confident | 80.9 | Confident | 9 Ų | 9 | 24.1 Ų | 24.1 | 7% | 0.074 | 16% | 0.155 | C | C | . | . | P | Polyproline II helix | trans | -57.9 | 162.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | D720 T754 P756 | A693-D720 HydrophobicContact CB-CB 4.27Å; A693-D720 WeakPolarHBondContact CB-OD2 3.5Å; A693-T754 WeakPolarHBondContact CB-O 3.42Å; A693-T754 PolarHBondContact N-O 3.4Å; A693-T754 VanDerWaalsContact N-O 3.1Å; A693-T754 PolarHBondContact N-OG1 2.9Å; A693-P756 HydrophobicContact CB-CB 4.23Å; A693-P756 HydrophobicContact CB-CG 3.79Å |
| 694 | P | 74.9 | Confident | 80.3 | Confident | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.006 | 15% | 0.154 | C | C | . | . | P | Polyproline II helix | trans | -79.4 | 139.9 | -175.8 | 29.9 | -35.1 | 0 | 0 | 0 | 113.1 | A632 P633 D658 V696 P756 | A632-P694 HydrophobicContact CB-CB 3.94Å; A632-P694 VanDerWaalsContact CB-CD 3.49Å; A632-P694 HydrophobicContact CB-CG 4.22Å; P633-P694 WeakPolarHBondContact O-CB 3.46Å; D658-P694 HydrophobicContact CB-CG 4.29Å; P694-V696 HydrophobicContact CB-CG2 4.28Å; P694-V696 HydrophobicContact CG-CG2 4.49Å; P694-P756 WeakPolarHBondContact O-CA 3.25Å |
| 695 | D | 78.6 | Confident | 79.7 | Confident | 77 Ų | 77 | 24.6 Ų | 24.6 | 41% | 0.412 | 15% | 0.154 | S | C | . | . | P | Polyproline II helix | trans | -85.3 | 119.8 | 165.5 | -72 | -12.7 | 0 | 0 | 0 | 110 | D634 V635 D757 | D634-D695 CarbonylContact C-O 3.57Å; D634-D695 WeakPolarHBondContact CA-O 3.43Å; D634-D695 WeakPolarHBondContact OD1-CB 3.39Å; D634-D695 PolarHBondContact OD1-N 2.83Å; V635-D695 PolarHBondContact N-O 2.64Å; D695-D757 WeakPolarHBondContact CA-O 3.28Å; D695-D757 VanDerWaalsContact OD1-CB 3.31Å; D695-D757 WeakPolarHBondContact OD1-CB 3.2Å |
| 696 | V | 78.1 | Confident | 78.6 | Confident | 4 Ų | 4 | 27.2 Ų | 27.2 | 2% | 0.024 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 115.7 | -175.8 | -176.9 | 0 | 0 | 0 | 0 | 111.4 | V635 T656 P694 T716 T718 D757 V758 S759 | V635-V696 HydrophobicContact CB-CG2 4.34Å; V635-V696 CarbonylContact O-C 3.59Å; V635-V696 WeakPolarHBondContact O-CA 3.5Å; T656-V696 HydrophobicContact CG2-CG2 4.41Å; P694-V696 HydrophobicContact CB-CG2 4.28Å; P694-V696 HydrophobicContact CG-CG2 4.49Å; V696-T716 HydrophobicContact CG1-CG2 3.81Å; V696-T718 HydrophobicContact CB-CG2 3.78Å; V696-T718 HydrophobicContact CG1-CG2 4.11Å; V696-T718 HydrophobicContact CG2-CG2 3.49Å; V696-T718 VanDerWaalsContact CG2-CG2 3.49Å; V696-D757 PolarHBondContact N-O 3.42Å; V696-V758 HydrophobicContact CB-CG2 4.37Å; V696-V758 WeakPolarHBondContact O-CA 3.45Å; V696-S759 PolarHBondContact O-N 3.21Å |
| 697 | S | 82.2 | Confident | 77.4 | Confident | 30 Ų | 30 | 24.4 Ų | 24.4 | 21% | 0.21 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 123.8 | 176 | 67.4 | 0 | 0 | 0 | 0 | 111.9 | V635 S636 T637 S759 | V635-S697 PolarHBondContact O-N 3.44Å; S636-S697 WeakPolarHBondContact CA-O 3.22Å; S636-S697 WeakPolarHBondContact CB-OG 3.17Å; T637-S697 PolarHBondContact N-O 2.87Å; S697-S759 WeakPolarHBondContact CA-O 3.46Å; S697-S759 WeakPolarHBondContact CB-OG 3.26Å |
| 698 | T | 79.6 | Confident | 76.6 | Confident | 6 Ų | 6 | 27.2 Ų | 27.2 | 4% | 0.037 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 108.5 | 174.1 | -55.7 | 0 | 0 | 0 | 0 | 109.3 | T653 T714 T716 S759 T760 N761 | T653-T698 HydrophobicContact CG2-CG2 3.83Å; T698-T714 HydrophobicContact CG2-CG2 3.91Å; T698-T716 PolarHBondContact OG1-OG1 3.18Å; T698-S759 PolarHBondContact N-O 2.92Å; T698-T760 WeakPolarHBondContact O-CA 3.4Å; T698-N761 PolarHBondContact O-N 3.26Å |
| 699 | N | 81.4 | Confident | 76.2 | Confident | 49 Ų | 49 | 28.8 Ų | 28.8 | 26% | 0.262 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 124 | -178.9 | -55.3 | -59.4 | 0 | 0 | 0 | 111.2 | T637 N638 S639 N761 | T637-N699 PolarHBondContact O-N 2.8Å; N638-N699 WeakPolarHBondContact CA-O 3.37Å; N638-N699 WeakPolarHBondContact OD1-CB 3.49Å; N638-N699 PolarHBondContact OD1-ND2 2.8Å; S639-N699 PolarHBondContact N-O 2.82Å; N699-N761 CarbonylContact C-O 3.51Å; N699-N761 WeakPolarHBondContact CA-O 3.49Å; N699-N761 WeakPolarHBondContact OD1-CB 3.34Å; N699-N761 PolarHBondContact OD1-ND2 2.93Å |
| 700 | S | 77.7 | Confident | 75.9 | Confident | 8 Ų | 8 | 28.9 Ų | 28.9 | 6% | 0.056 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 125.4 | 178.1 | -69.5 | 0 | 0 | 0 | 0 | 111.5 | S639 N761 S762 T763 | S639-S700 CarbonylContact O-C 3.57Å; S639-S700 WeakPolarHBondContact O-CA 3.45Å; S700-N761 PolarHBondContact N-O 2.85Å; S700-S762 CarbonylContact O-C 3.51Å; S700-S762 WeakPolarHBondContact O-CA 3.48Å; S700-T763 PolarHBondContact O-N 3.34Å |
| 701 | T | 82.9 | Confident | 75.6 | Confident | 62 Ų | 62 | 29 Ų | 29 | 38% | 0.38 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 110.2 | 169.7 | -59.3 | 0 | 0 | 0 | 0 | 109 | S639 T640 I641 T763 | S639-T701 PolarHBondContact O-N 2.89Å; T640-T701 WeakPolarHBondContact CA-O 3.34Å; I641-T701 PolarHBondContact N-O 2.88Å; T701-T763 WeakPolarHBondContact CA-O 3.2Å |
| 702 | I | 78.7 | Confident | 75.2 | Confident | 6 Ų | 6 | 29.2 Ų | 29.2 | 3% | 0.031 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 122.5 | -174.9 | -57.1 | 174.5 | 0 | 0 | 0 | 109.6 | I641 F649 T651 F710 T712 T763 I764 T765 | I641-I702 HydrophobicContact CB-CG1 4.44Å; I641-I702 WeakPolarHBondContact O-CA 3.4Å; F649-I702 HydrophobicContact CE1-CD1 4.32Å; F649-I702 HydrophobicContact CE1-CG2 3.73Å; F649-I702 HydrophobicContact CE2-CG2 4.26Å; F649-I702 HydrophobicContact CZ-CG2 3.41Å; F649-I702 VanDerWaalsContact CZ-CG2 3.41Å; T651-I702 HydrophobicContact CG2-CD1 4.36Å; I702-F710 HydrophobicContact CG2-CE2 4.02Å; I702-F710 HydrophobicContact CG2-CZ 3.91Å; I702-T712 HydrophobicContact CD1-CG2 3.94Å; I702-T763 PolarHBondContact N-O 2.71Å; I702-I764 HydrophobicContact CB-CG1 4.44Å; I702-I764 WeakPolarHBondContact O-CA 3.29Å; I702-T765 PolarHBondContact O-N 3.37Å |
| 703 | T | 79.1 | Confident | 75 | Confident | 49 Ų | 49 | 29.5 Ų | 29.5 | 30% | 0.301 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 114.8 | 172 | -57.7 | 0 | 0 | 0 | 0 | 110 | I641 T642 A643 T765 | I641-T703 PolarHBondContact O-N 3.15Å; T642-T703 WeakPolarHBondContact CA-O 3.32Å; A643-T703 PolarHBondContact N-O 3.38Å; T703-T765 WeakPolarHBondContact CA-O 3.45Å |
| 704 | A | 71.3 | Confident | 74.9 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 127.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.3 | A643 F710 T765 A766 S767 | A643-A704 WeakPolarHBondContact O-CA 3.15Å; A704-F710 HydrophobicContact CB-CD2 3.94Å; A704-F710 HydrophobicContact CB-CE2 3.69Å; A704-T765 PolarHBondContact N-O 2.94Å; A704-A766 WeakPolarHBondContact O-CA 3.5Å; A704-S767 PolarHBondContact O-N 2.76Å |
| 705 | S | 68.2 | Low | 74.9 | Confident | 48 Ų | 48 | 31 Ų | 31 | 34% | 0.336 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 127.5 | 179.8 | -48.7 | 0 | 0 | 0 | 0 | 110.8 | A643 A645 | A643-S705 PolarHBondContact O-N 3.08Å; A645-S705 WeakPolarHBondContact CA-O 3.49Å; A645-S705 PolarHBondContact N-O 3.29Å |
| 706 | A | 63 | Low | 74.6 | Confident | 56 Ų | 56 | 27.3 Ų | 27.3 | 46% | 0.463 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 60 | 76.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | T646 S767 | T646-A706 PolarHBondContact N-O 3.39Å; A706-S767 WeakPolarHBondContact CA-O 3.45Å; A706-S767 PolarHBondContact N-O 2.99Å |
| 707 | T | 61.3 | Low | 74.4 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 116.8 | -171.7 | -34.3 | 0 | 0 | 0 | 0 | 114.5 | T646 F649 A768 T769 | T646-T707 WeakPolarHBondContact O-CA 3.27Å; T646-T707 VanDerWaalsContact OG1-CG2 3.32Å; T646-T707 WeakPolarHBondContact OG1-CG2 3.5Å; T646-T707 PolarHBondContact OG1-OG1 2.94Å; F649-T707 HydrophobicContact CB-CG2 4.04Å; T707-A768 PolarHBondContact N-O 3.36Å; T707-T769 WeakPolarHBondContact O-CA 3.36Å; T707-T769 WeakPolarHBondContact O-CB 3.29Å; T707-T769 WeakPolarHBondContact O-CG2 3.48Å |
| 708 | T | 66.6 | Low | 74.1 | Confident | 62 Ų | 62 | 28.2 Ų | 28.2 | 38% | 0.38 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | -46.6 | -179.1 | 41.9 | 0 | 0 | 0 | 0 | 113.7 | T647 T770 N771 | T647-T708 WeakPolarHBondContact CA-OG1 3.21Å; T647-T708 WeakPolarHBondContact CB-OG1 3.14Å; T647-T708 PolarHBondContact O-N 3.07Å; T647-T708 PolarHBondContact O-OG1 3.47Å; T708-T770 PolarHBondContact O-N 3.31Å; T708-T770 VanDerWaalsContact O-N 3.07Å; T708-T770 PolarHBondContact O-OG1 3.02Å; T708-N771 PolarHBondContact O-N 2.92Å |
| 709 | N | 72.7 | Confident | 73.8 | Confident | 56 Ų | 56 | 30.4 Ų | 30.4 | 30% | 0.299 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 121.7 | 177.9 | -56.3 | -54.9 | 0 | 0 | 0 | 110.3 | T647 N648 F649 N771 | T647-N709 PolarHBondContact O-N 3.19Å; N648-N709 WeakPolarHBondContact CA-O 3.36Å; N648-N709 PolarHBondContact OD1-ND2 3.03Å; F649-N709 PolarHBondContact N-O 2.93Å; N709-N771 WeakPolarHBondContact CA-O 3.42Å; N709-N771 PolarHBondContact OD1-ND2 3.1Å |
| 710 | F | 74.7 | Confident | 73.5 | Confident | 1 Ų | 1 | 28.2 Ų | 28.2 | 0% | 0.004 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 119.6 | 179 | -175.8 | -86.8 | 0 | 0 | 0 | 109.7 | F649 I702 A704 T712 I764 A766 T769 N771 F772 T773 T774 | F649-F710 HydrophobicContact CB-CD2 3.95Å; F649-F710 HydrophobicContact CB-CE2 4.45Å; F649-F710 AromaticContact CD1-CD2 3.63Å; F649-F710 HydrophobicContact CD1-CD2 3.63Å; F649-F710 AromaticContact CD1-CE2 3.34Å; F649-F710 HydrophobicContact CD1-CE2 3.34Å; F649-F710 HydrophobicContact CD1-CG 4.4Å; F649-F710 AromaticContact CD1-CZ 3.93Å; F649-F710 HydrophobicContact CD1-CZ 3.93Å; F649-F710 HydrophobicContact CE1-CD2 4.35Å; F649-F710 AromaticContact CE1-CE2 3.6Å; F649-F710 HydrophobicContact CE1-CE2 3.6Å; F649-F710 AromaticContact CE1-CZ 3.9Å; F649-F710 HydrophobicContact CE1-CZ 3.9Å; F649-F710 AromaticContact CG-CD2 3.87Å; F649-F710 HydrophobicContact CG-CD2 3.87Å; F649-F710 AromaticContact CG-CE2 3.87Å; F649-F710 HydrophobicContact CG-CE2 3.87Å; F649-F710 HydrophobicContact CZ-CE2 4.3Å; I702-F710 HydrophobicContact CG2-CE2 4.02Å; I702-F710 HydrophobicContact CG2-CZ 3.91Å; A704-F710 HydrophobicContact CB-CD2 3.94Å; A704-F710 HydrophobicContact CB-CE2 3.69Å; F710-T712 HydrophobicContact CD1-CG2 4.13Å; F710-T712 HydrophobicContact CE1-CG2 3.27Å; F710-T712 HydrophobicContact CE2-CG2 4.4Å; F710-T712 HydrophobicContact CZ-CG2 3.42Å; F710-T712 VanDerWaalsContact CZ-CG2 3.42Å; F710-I764 HydrophobicContact CE1-CG2 3.64Å; F710-I764 HydrophobicContact CZ-CG2 3.47Å; F710-I764 VanDerWaalsContact CZ-CG2 3.47Å; F710-A766 HydrophobicContact CD2-CB 4.5Å; F710-T769 HydrophobicContact CB-CG2 3.67Å; F710-N771 PolarHBondContact N-O 3.33Å; F710-F772 HydrophobicContact CB-CD2 4.04Å; F710-F772 AromaticContact CD1-CD2 3.41Å; F710-F772 HydrophobicContact CD1-CD2 3.41Å; F710-F772 VanDerWaalsContact CD1-CD2 3.41Å; F710-F772 AromaticContact CD1-CE2 3.24Å; F710-F772 HydrophobicContact CD1-CE2 3.24Å; F710-F772 HydrophobicContact CD1-CG 4.24Å; F710-F772 AromaticContact CD1-CZ 3.97Å; F710-F772 HydrophobicContact CD1-CZ 3.97Å; F710-F772 HydrophobicContact CE1-CD2 4.08Å; F710-F772 AromaticContact CE1-CE2 3.4Å; F710-F772 HydrophobicContact CE1-CE2 3.4Å; F710-F772 VanDerWaalsContact CE1-CE2 3.4Å; F710-F772 AromaticContact CE1-CZ 3.87Å; F710-F772 HydrophobicContact CE1-CZ 3.87Å; F710-F772 AromaticContact CG-CD2 3.91Å; F710-F772 HydrophobicContact CG-CD2 3.91Å; F710-F772 HydrophobicContact CG-CE2 4.02Å; F710-F772 HydrophobicContact CZ-CE2 4.31Å; F710-T773 PolarHBondContact O-N 3.09Å; F710-T774 HydrophobicContact CE1-CG2 4.3Å |
| 711 | T | 78 | Confident | 73.3 | Confident | 49 Ų | 49 | 28.9 Ų | 28.9 | 30% | 0.301 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 129.7 | 179.2 | -55.8 | 0 | 0 | 0 | 0 | 109.9 | F649 T650 T651 T773 | F649-T711 WeakPolarHBondContact O-CA 3.5Å; F649-T711 PolarHBondContact O-N 2.93Å; T650-T711 VanDerWaalsContact CA-O 3.29Å; T650-T711 WeakPolarHBondContact CA-O 3.06Å; T651-T711 PolarHBondContact N-O 3.49Å; T711-T773 CarbonylContact C-O 3.49Å; T711-T773 VanDerWaalsContact CA-O 3.27Å; T711-T773 WeakPolarHBondContact CA-O 3.45Å |
| 712 | T | 74 | Confident | 73 | Confident | 4 Ų | 4 | 25.9 Ų | 25.9 | 3% | 0.025 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 138.1 | 171.7 | 62.9 | 0 | 0 | 0 | 0 | 109.5 | F649 T651 I702 F710 I764 T773 T774 T775 | F649-T712 HydrophobicContact CD1-CG2 4.3Å; F649-T712 HydrophobicContact CE1-CG2 3.99Å; T651-T712 WeakPolarHBondContact OG1-CB 3.05Å; T651-T712 VanDerWaalsContact OG1-CG2 3.3Å; T651-T712 WeakPolarHBondContact OG1-CG2 3.39Å; I702-T712 HydrophobicContact CD1-CG2 3.94Å; F710-T712 HydrophobicContact CD1-CG2 4.13Å; F710-T712 HydrophobicContact CE1-CG2 3.27Å; F710-T712 HydrophobicContact CE2-CG2 4.4Å; F710-T712 HydrophobicContact CZ-CG2 3.42Å; F710-T712 VanDerWaalsContact CZ-CG2 3.42Å; T712-I764 HydrophobicContact CG2-CD1 4.4Å; T712-T773 PolarHBondContact N-O 3.03Å; T712-T774 WeakPolarHBondContact O-CA 3.34Å; T712-T774 WeakPolarHBondContact OG1-CB 3.49Å; T712-T774 VanDerWaalsContact OG1-CG2 3.29Å; T712-T774 WeakPolarHBondContact OG1-CG2 3.19Å; T712-T775 PolarHBondContact O-N 3.2Å |
| 713 | T | 77.4 | Confident | 72.8 | Confident | 41 Ų | 41 | 27.9 Ų | 27.9 | 25% | 0.252 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 114.6 | 177 | -56.6 | 0 | 0 | 0 | 0 | 108.4 | T651 T652 T653 T775 | T651-T713 PolarHBondContact O-N 3.06Å; T652-T713 VanDerWaalsContact CA-O 3.23Å; T652-T713 WeakPolarHBondContact CA-O 3.46Å; T653-T713 PolarHBondContact N-O 3.3Å; T713-T775 CarbonylContact C-O 3.58Å; T713-T775 VanDerWaalsContact CA-O 3.3Å; T713-T775 WeakPolarHBondContact CA-O 3.38Å |
| 714 | T | 71.9 | Confident | 72.5 | Confident | 6 Ų | 6 | 25.6 Ų | 25.6 | 4% | 0.037 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 121.2 | 171.4 | -55 | 0 | 0 | 0 | 0 | 107.5 | T698 T760 T775 T776 T777 | T698-T714 HydrophobicContact CG2-CG2 3.91Å; T714-T760 HydrophobicContact CG2-CG2 3.82Å; T714-T775 PolarHBondContact N-O 3.25Å; T714-T776 CarbonylContact O-C 3.57Å; T714-T776 VanDerWaalsContact O-CA 3.3Å; T714-T776 WeakPolarHBondContact O-CA 3.16Å; T714-T777 PolarHBondContact O-N 2.83Å |
| 715 | T | 75 | Confident | 72.2 | Confident | 35 Ų | 35 | 27.4 Ų | 27.4 | 22% | 0.215 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 119.5 | 175.3 | -59 | 0 | 0 | 0 | 0 | 107.6 | T653 T654 T717 T777 | T653-T715 CarbonylContact C-O 3.56Å; T653-T715 CarbonylContact O-C 3.6Å; T653-T715 WeakPolarHBondContact O-CA 3.35Å; T653-T715 PolarHBondContact O-N 2.81Å; T654-T715 WeakPolarHBondContact CA-O 2.95Å; T654-T715 HydrophobicContact CG2-CG2 4.37Å; T715-T717 HydrophobicContact CG2-CG2 3.94Å; T715-T777 CarbonylContact C-O 3.52Å; T715-T777 VanDerWaalsContact CA-O 3.27Å; T715-T777 WeakPolarHBondContact CA-O 3.29Å |
| 716 | T | 72.1 | Confident | 71.9 | Confident | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.006 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 121.9 | 171.1 | -54.9 | 0 | 0 | 0 | 0 | 106.1 | V696 T698 T718 V758 T777 T778 T779 | V696-T716 HydrophobicContact CG1-CG2 3.81Å; T698-T716 PolarHBondContact OG1-OG1 3.18Å; T716-T718 HydrophobicContact CG2-CG2 4.5Å; T716-V758 HydrophobicContact CG2-CG1 3.74Å; T716-T777 PolarHBondContact N-O 3.45Å; T716-T778 CarbonylContact O-C 3.57Å; T716-T778 VanDerWaalsContact O-CA 3.28Å; T716-T778 WeakPolarHBondContact O-CA 3.45Å; T716-T779 PolarHBondContact O-N 2.92Å |
| 717 | T | 74.9 | Confident | 71.4 | Confident | 52 Ų | 52 | 25.5 Ų | 25.5 | 32% | 0.319 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 113.6 | -179.9 | 48 | 0 | 0 | 0 | 0 | 106.5 | T655 T656 T715 T779 | T655-T717 CarbonylContact C-O 3.57Å; T655-T717 PolarHBondContact O-N 2.9Å; T656-T717 CarbonylContact C-O 3.53Å; T656-T717 PolarHBondContact N-O 3.41Å; T715-T717 HydrophobicContact CG2-CG2 3.94Å; T717-T779 CarbonylContact C-O 3.56Å; T717-T779 VanDerWaalsContact CA-O 3.22Å; T717-T779 WeakPolarHBondContact CA-O 3.45Å |
| 718 | T | 74.5 | Confident | 71.6 | Confident | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.006 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 136.5 | 170.3 | 63.6 | 0 | 0 | 0 | 0 | 108.1 | V696 T716 V758 T779 T780 T781 | V696-T718 HydrophobicContact CB-CG2 3.78Å; V696-T718 HydrophobicContact CG1-CG2 4.11Å; V696-T718 HydrophobicContact CG2-CG2 3.49Å; V696-T718 VanDerWaalsContact CG2-CG2 3.49Å; T716-T718 HydrophobicContact CG2-CG2 4.5Å; T718-V758 HydrophobicContact CG2-CG1 4.46Å; T718-V758 HydrophobicContact CG2-CG2 3.59Å; T718-V758 WeakPolarHBondContact OG1-CG2 3.43Å; T718-T779 PolarHBondContact N-O 3.09Å; T718-T780 WeakPolarHBondContact O-CA 3.46Å; T718-T780 WeakPolarHBondContact OG1-CB 3.41Å; T718-T780 VanDerWaalsContact OG1-CG2 3.29Å; T718-T780 WeakPolarHBondContact OG1-CG2 3.36Å; T718-T781 PolarHBondContact O-N 3.05Å |
| 719 | T | 75.2 | Confident | 71.7 | Confident | 52 Ų | 52 | 23.5 Ų | 23.5 | 32% | 0.319 | 15% | 0.149 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 126.3 | 169.4 | -53.5 | 0 | 0 | 0 | 0 | 105.7 | T657 D658 T781 | T657-T719 HydrophobicContact CG2-CG2 4.39Å; D658-T719 PolarHBondContact N-O 2.93Å; D658-T719 VanDerWaalsContact O-O 3.06Å; T719-T781 CarbonylContact C-O 3.59Å; T719-T781 VanDerWaalsContact CA-O 3.25Å; T719-T781 WeakPolarHBondContact CA-O 3.2Å |
| 720 | D | 74.8 | Confident | 71.7 | Confident | 2 Ų | 2 | 23.3 Ų | 23.3 | 1% | 0.011 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 148.9 | 165.2 | 177.1 | 28.2 | 0 | 0 | 0 | 107.5 | A693 P756 T781 D782 G783 | A693-D720 HydrophobicContact CB-CB 4.27Å; A693-D720 WeakPolarHBondContact CB-OD2 3.5Å; D720-P756 HydrophobicContact CB-CG 3.82Å; D720-T781 PolarHBondContact N-O 2.79Å; D720-D782 WeakPolarHBondContact O-CA 3.46Å; D720-G783 PolarHBondContact O-N 2.89Å; D720-G783 VanDerWaalsContact O-N 3.14Å |
| 721 | G | 72 | Confident | 71.5 | Confident | 22 Ų | 22 | 23.5 Ų | 23.5 | 23% | 0.227 | 15% | 0.149 | C | C | . | . | trans | -152.3 | 91.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F660 N723 | F660-G721 PolarHBondContact N-O 3.04Å; G721-N723 PolarHBondContact O-N 3.48Å; G721-N723 VanDerWaalsContact O-N 3.12Å | ||
| 722 | F | 77.6 | Confident | 71.4 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | -67.3 | 106.3 | 166.9 | -177.9 | -90.8 | 0 | 0 | 0 | 112 | F660 V689 D691 Q724 V751 D753 G783 F784 N785 | F660-F722 HydrophobicContact CB-CD2 4.48Å; F660-F722 AromaticContact CD1-CD2 3.39Å; F660-F722 HydrophobicContact CD1-CD2 3.39Å; F660-F722 AromaticContact CD1-CE2 3.57Å; F660-F722 HydrophobicContact CD1-CE2 3.57Å; F660-F722 HydrophobicContact CD1-CG 4.1Å; F660-F722 HydrophobicContact CD1-CZ 4.39Å; F660-F722 AromaticContact CE1-CD2 3.71Å; F660-F722 HydrophobicContact CE1-CD2 3.71Å; F660-F722 AromaticContact CE1-CE2 3.34Å; F660-F722 HydrophobicContact CE1-CE2 3.34Å; F660-F722 AromaticContact CE1-CZ 3.95Å; F660-F722 HydrophobicContact CE1-CZ 3.95Å; F660-F722 AromaticContact CG-CD2 4Å; F660-F722 HydrophobicContact CG-CD2 4Å; F660-F722 HydrophobicContact CG-CE2 4.37Å; F660-F722 AromaticContact CZ-CE2 3.97Å; F660-F722 HydrophobicContact CZ-CE2 3.97Å; V689-F722 HydrophobicContact CG1-CE2 4.01Å; V689-F722 HydrophobicContact CG1-CZ 4.3Å; D691-F722 HydrophobicContact CB-CD2 3.54Å; D691-F722 HydrophobicContact CB-CE2 4.02Å; D691-F722 WeakPolarHBondContact OD2-CD2 3.26Å; F722-Q724 HydrophobicContact CD1-CB 4.42Å; F722-Q724 HydrophobicContact CE1-CB 3.49Å; F722-Q724 VanDerWaalsContact CE1-CB 3.49Å; F722-Q724 HydrophobicContact CZ-CB 3.68Å; F722-V751 HydrophobicContact CE1-CG1 3.97Å; F722-V751 HydrophobicContact CE2-CG1 4.12Å; F722-V751 HydrophobicContact CZ-CG1 3.44Å; F722-V751 VanDerWaalsContact CZ-CG1 3.44Å; F722-D753 HydrophobicContact CB-CB 4.43Å; F722-D753 WeakPolarHBondContact CB-OD2 3.3Å; F722-D753 HydrophobicContact CG-CB 4.44Å; F722-G783 PolarHBondContact N-O 3.25Å; F722-G783 VanDerWaalsContact O-O 3.14Å; F722-F784 HydrophobicContact CB-CD2 4.1Å; F722-F784 AromaticContact CD1-CD2 3.4Å; F722-F784 HydrophobicContact CD1-CD2 3.4Å; F722-F784 VanDerWaalsContact CD1-CD2 3.4Å; F722-F784 AromaticContact CD1-CE2 3.35Å; F722-F784 HydrophobicContact CD1-CE2 3.35Å; F722-F784 HydrophobicContact CD1-CG 4.22Å; F722-F784 HydrophobicContact CD1-CZ 4.11Å; F722-F784 HydrophobicContact CE1-CD2 4.04Å; F722-F784 AromaticContact CE1-CE2 3.47Å; F722-F784 HydrophobicContact CE1-CE2 3.47Å; F722-F784 VanDerWaalsContact CE1-CE2 3.47Å; F722-F784 AromaticContact CE1-CZ 3.96Å; F722-F784 HydrophobicContact CE1-CZ 3.96Å; F722-F784 AromaticContact CG-CD2 3.89Å; F722-F784 HydrophobicContact CG-CD2 3.89Å; F722-F784 HydrophobicContact CG-CE2 4.08Å; F722-F784 HydrophobicContact CZ-CE2 4.28Å; F722-N785 WeakPolarHBondContact O-CA 2.92Å; F722-N785 PolarHBondContact O-N 3.37Å | ||
| 723 | N | 74.5 | Confident | 71.5 | Confident | 48 Ų | 48 | 23.3 Ų | 23.3 | 26% | 0.257 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 103.9 | 171.1 | -162.7 | -33.1 | 0 | 0 | 0 | 112.3 | F660 N661 Q662 G721 S725 N785 | F660-N723 PolarHBondContact O-N 3.07Å; N661-N723 WeakPolarHBondContact CA-O 3.14Å; Q662-N723 PolarHBondContact N-O 3.49Å; G721-N723 PolarHBondContact O-N 3.48Å; G721-N723 VanDerWaalsContact O-N 3.12Å; N723-S725 PolarHBondContact OD1-N 3.24Å; N723-N785 WeakPolarHBondContact CA-O 3.26Å |
| 724 | Q | 73.6 | Confident | 71.7 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 94.1 | 167.7 | -173.1 | -179.7 | 103.9 | 0 | 0 | 110.7 | F722 K726 N785 S787 | F722-Q724 HydrophobicContact CD1-CB 4.42Å; F722-Q724 HydrophobicContact CE1-CB 3.49Å; F722-Q724 VanDerWaalsContact CE1-CB 3.49Å; F722-Q724 HydrophobicContact CZ-CB 3.68Å; Q724-K726 HydrophobicContact CG-CD 4.25Å; Q724-K726 HydrophobicContact CG-CG 4.24Å; Q724-N785 PolarHBondContact N-O 3.13Å; Q724-S787 PolarHBondContact O-N 2.9Å |
| 725 | S | 64.3 | Low | 72.1 | Confident | 39 Ų | 39 | 23.5 Ų | 23.5 | 27% | 0.273 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 112 | 174.3 | 59.4 | 0 | 0 | 0 | 0 | 111.1 | Q662 S663 K664 N723 S787 | Q662-S725 PolarHBondContact O-N 3.44Å; Q662-S725 VanDerWaalsContact O-N 3.11Å; S663-S725 WeakPolarHBondContact CA-O 3.07Å; K664-S725 PolarHBondContact N-O 3.12Å; N723-S725 PolarHBondContact OD1-N 3.24Å; S725-S787 WeakPolarHBondContact CA-O 3.02Å |
| 726 | K | 61.3 | Low | 72.3 | Confident | 4 Ų | 4 | 23.7 Ų | 23.7 | 2% | 0.017 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 128.2 | 179.4 | -69.4 | 178.6 | -179.2 | 151.5 | 0 | 111.2 | K664 Y687 Q724 S787 S789 | K664-K726 HydrophobicContact CB-CG 4.31Å; K664-K726 WeakPolarHBondContact O-CA 2.83Å; Y687-K726 PolarHBondContact OH-NZ 3.38Å; Q724-K726 HydrophobicContact CG-CD 4.25Å; Q724-K726 HydrophobicContact CG-CG 4.24Å; K726-S787 PolarHBondContact N-O 3.33Å; K726-S789 PolarHBondContact O-N 3.41Å; K726-S789 PolarHBondContact O-OG 3.49Å |
| 727 | S | 53.7 | Low | 72.6 | Confident | 60 Ų | 60 | 23.6 Ų | 23.6 | 42% | 0.42 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -74.8 | -27.9 | 175.4 | 3 | 0 | 0 | 0 | 0 | 113 | K664 S665 S789 | K664-S727 PolarHBondContact O-N 2.73Å; K664-S727 PolarHBondContact O-OG 3.12Å; S665-S727 WeakPolarHBondContact CA-OG 3.19Å; S665-S727 WeakPolarHBondContact O-CB 3.4Å; S665-S727 PolarHBondContact O-OG 2.92Å; S727-S789 WeakPolarHBondContact CA-OG 3.24Å; S727-S789 PolarHBondContact O-OG 3.3Å |
| 728 | S | 64 | Low | 72.4 | Confident | 21 Ų | 21 | 22.9 Ų | 22.9 | 15% | 0.147 | 16% | 0.155 | C | C | . | . | trans | -163.1 | 137.2 | 167.1 | 53.6 | 0 | 0 | 0 | 0 | 112.1 | S666 L667 S790 | S666-S728 WeakPolarHBondContact CA-O 3.5Å; S666-S728 WeakPolarHBondContact CB-OG 3.03Å; L667-S728 PolarHBondContact N-O 3.12Å; S728-S790 WeakPolarHBondContact CB-OG 3.33Å | ||
| 729 | L | 69.4 | Low | 72.1 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 104.3 | 165.5 | 173.8 | 54.6 | 0 | 0 | 0 | 108.3 | L667 V731 Y749 S790 L791 N792 | L667-L729 HydrophobicContact CB-CD1 3.81Å; L667-L729 HydrophobicContact CD2-CD1 3.56Å; L667-L729 HydrophobicContact CG-CD1 3.55Å; L729-V731 HydrophobicContact CD1-CG2 3.5Å; L729-V731 HydrophobicContact CG-CG2 3.92Å; L729-Y749 HydrophobicContact CD2-CD2 4.41Å; L729-Y749 HydrophobicContact CD2-CE2 3.61Å; L729-S790 PolarHBondContact N-O 2.9Å; L729-L791 HydrophobicContact CB-CD1 3.92Å; L729-L791 HydrophobicContact CD2-CD1 3.5Å; L729-L791 VanDerWaalsContact CD2-CD1 3.5Å; L729-L791 HydrophobicContact CG-CD1 3.7Å; L729-N792 PolarHBondContact O-N 2.92Å |
| 730 | N | 72.1 | Confident | 71.6 | Confident | 51 Ų | 51 | 24.7 Ų | 24.7 | 27% | 0.273 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 109.2 | 176.9 | -59.2 | -58.7 | 0 | 0 | 0 | 109.1 | L667 N668 V669 N792 | L667-N730 PolarHBondContact O-N 2.94Å; N668-N730 CarbonylContact C-O 3.59Å; N668-N730 WeakPolarHBondContact CA-O 3.24Å; N668-N730 WeakPolarHBondContact OD1-CB 3.48Å; N668-N730 PolarHBondContact OD1-ND2 2.84Å; V669-N730 PolarHBondContact N-O 2.8Å; N730-N792 CarbonylContact C-O 3.55Å; N730-N792 WeakPolarHBondContact CA-O 3.31Å; N730-N792 WeakPolarHBondContact OD1-CB 3.39Å |
| 731 | V | 72 | Confident | 71.5 | Confident | 5 Ų | 5 | 27 Ų | 27 | 3% | 0.03 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 113.5 | 178 | -175.2 | 0 | 0 | 0 | 0 | 108.6 | V669 F685 L729 V733 F747 N792 V793 A794 | V669-V731 HydrophobicContact CB-CG1 4.46Å; V669-V731 HydrophobicContact CB-CG2 4.48Å; V669-V731 CarbonylContact O-C 3.59Å; V669-V731 WeakPolarHBondContact O-CA 3.4Å; F685-V731 HydrophobicContact CE1-CG1 3.89Å; F685-V731 HydrophobicContact CE2-CG1 3.84Å; F685-V731 HydrophobicContact CZ-CG1 3.45Å; F685-V731 VanDerWaalsContact CZ-CG1 3.45Å; F685-V731 HydrophobicContact CZ-CG2 4.42Å; L729-V731 HydrophobicContact CD1-CG2 3.5Å; L729-V731 HydrophobicContact CG-CG2 3.92Å; V731-V733 HydrophobicContact CG1-CG2 3.86Å; V731-F747 HydrophobicContact CG1-CE2 3.74Å; V731-F747 HydrophobicContact CG1-CZ 4.3Å; V731-N792 PolarHBondContact N-O 2.91Å; V731-V793 HydrophobicContact CB-CG2 4.39Å; V731-V793 CarbonylContact O-C 3.58Å; V731-V793 WeakPolarHBondContact O-CA 3.45Å; V731-A794 PolarHBondContact O-N 2.85Å |
| 732 | A | 74.5 | Confident | 71.6 | Confident | 48 Ų | 48 | 28 Ų | 28 | 40% | 0.397 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 108.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | V669 A670 V671 A794 | V669-A732 PolarHBondContact O-N 3.08Å; A670-A732 CarbonylContact C-O 3.6Å; A670-A732 WeakPolarHBondContact CA-O 3.37Å; V671-A732 PolarHBondContact N-O 3.27Å; A732-A794 WeakPolarHBondContact CA-O 3.31Å |
| 733 | V | 77.5 | Confident | 71.8 | Confident | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.012 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 121.7 | 175.5 | -173.9 | 0 | 0 | 0 | 0 | 108.1 | V671 F685 V731 F747 A794 V795 S796 | V671-V733 WeakPolarHBondContact O-CA 3.31Å; F685-V733 HydrophobicContact CB-CG2 4.33Å; F685-V733 HydrophobicContact CD2-CG2 3.75Å; F685-V733 HydrophobicContact CE2-CG2 4.22Å; F685-V733 HydrophobicContact CG-CG2 3.99Å; V731-V733 HydrophobicContact CG1-CG2 3.86Å; V733-F747 HydrophobicContact CG2-CD2 4.03Å; V733-F747 HydrophobicContact CG2-CE2 4.11Å; V733-A794 PolarHBondContact N-O 2.84Å; V733-V795 HydrophobicContact CB-CG2 4.45Å; V733-V795 CarbonylContact O-C 3.59Å; V733-V795 WeakPolarHBondContact O-CA 3.48Å; V733-S796 PolarHBondContact O-N 2.95Å; V733-S796 PolarHBondContact O-OG 3.32Å |
| 734 | S | 81.3 | Confident | 72.1 | Confident | 46 Ų | 46 | 28.2 Ų | 28.2 | 32% | 0.322 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 132.5 | 178.6 | 59.1 | 0 | 0 | 0 | 0 | 110.9 | V671 S672 A673 Q683 S796 | V671-S734 PolarHBondContact O-N 3.46Å; V671-S734 PolarHBondContact O-OG 2.98Å; S672-S734 WeakPolarHBondContact CA-O 3.44Å; S672-S734 WeakPolarHBondContact CB-OG 3.35Å; A673-S734 PolarHBondContact N-O 3Å; Q683-S734 PolarHBondContact NE2-O 3.4Å; Q683-S734 VanDerWaalsContact NE2-O 3.14Å; S734-S796 WeakPolarHBondContact CA-O 3.23Å; S734-S796 WeakPolarHBondContact CB-OG 3.35Å |
| 735 | A | 79.9 | Confident | 72.4 | Confident | 4 Ų | 4 | 28.4 Ų | 28.4 | 3% | 0.033 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 135.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | A673 F681 F743 S796 A797 S798 | A673-A735 WeakPolarHBondContact O-CA 3.44Å; F681-A735 HydrophobicContact CE1-CB 3.37Å; F681-A735 HydrophobicContact CZ-CB 3.41Å; F681-A735 VanDerWaalsContact CZ-CB 3.41Å; A735-F743 HydrophobicContact CB-CE2 3.76Å; A735-F743 HydrophobicContact CB-CZ 3.54Å; A735-S796 PolarHBondContact N-O 2.91Å; A735-A797 WeakPolarHBondContact O-CA 3.45Å; A735-S798 PolarHBondContact O-N 2.96Å |
| 736 | S | 79 | Confident | 72.8 | Confident | 39 Ų | 39 | 28 Ų | 28 | 27% | 0.273 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 120.8 | 177.9 | -178.5 | 0 | 0 | 0 | 0 | 110.6 | A673 N675 | A673-S736 PolarHBondContact O-N 2.72Å; A673-S736 VanDerWaalsContact O-N 3.1Å; N675-S736 PolarHBondContact N-O 2.85Å |
| 737 | N | 78 | Confident | 73.6 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -139.5 | 79.4 | 170.6 | -173.7 | 0.1 | 0 | 0 | 0 | 109.2 | N675 G678 F681 V739 G740 F743 S798 N799 | N675-N737 WeakPolarHBondContact O-CA 3.36Å; N675-N737 VanDerWaalsContact O-CG 3.28Å; N675-N737 PolarHBondContact O-OD1 2.96Å; G678-N737 PolarHBondContact O-ND2 2.9Å; G678-N737 PolarHBondContact O-OD1 3.35Å; F681-N737 HydrophobicContact CB-CB 4.19Å; F681-N737 WeakPolarHBondContact CB-ND2 3.33Å; F681-N737 HydrophobicContact CD2-CB 4.41Å; F681-N737 HydrophobicContact CG-CB 4.29Å; N737-V739 VanDerWaalsContact C-N 3.27Å; N737-V739 PolarHBondContact O-N 3.28Å; N737-G740 WeakPolarHBondContact ND2-CA 3.35Å; N737-G740 VanDerWaalsContact OD1-CA 3.27Å; N737-G740 WeakPolarHBondContact OD1-CA 3.42Å; N737-G740 PolarHBondContact OD1-N 3.29Å; N737-F743 HydrophobicContact CB-CD2 3.72Å; N737-F743 HydrophobicContact CB-CE2 4.21Å; N737-S798 CarbonylContact C-O 3.55Å; N737-S798 PolarHBondContact N-O 3.18Å; N737-N799 WeakPolarHBondContact O-CA 3.36Å; N737-N799 VanDerWaalsContact O-CG 3.31Å; N737-N799 PolarHBondContact O-OD1 2.89Å | ||
| 738 | P | 70.7 | Confident | 74.7 | Confident | 37 Ų | 37 | 27.8 Ų | 27.8 | 24% | 0.24 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -65.3 | -24.2 | -171.6 | -21.3 | 35.5 | 0 | 0 | 0 | 115.2 | P676 P800 V801 | P676-P738 WeakPolarHBondContact O-CD 3.36Å; P738-P800 HydrophobicContact CB-CG 3.9Å; P738-V801 VanDerWaalsContact O-CB 3.3Å; P738-V801 WeakPolarHBondContact O-CB 2.94Å; P738-V801 WeakPolarHBondContact O-CG2 3.34Å; P738-V801 PolarHBondContact O-N 2.89Å |
| 739 | V | 69.1 | Low | 75.4 | Confident | 90 Ų | 90 | 26.9 Ų | 26.9 | 55% | 0.545 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -122.3 | 0.3 | -170.1 | -160 | 0 | 0 | 0 | 0 | 112.8 | P676 N737 | P676-V739 WeakPolarHBondContact O-CB 3.37Å; P676-V739 VanDerWaalsContact O-CG2 3.28Å; P676-V739 WeakPolarHBondContact O-CG2 3.41Å; P676-V739 PolarHBondContact O-N 2.77Å; N737-V739 VanDerWaalsContact C-N 3.27Å; N737-V739 PolarHBondContact O-N 3.28Å |
| 740 | G | 64.5 | Low | 75.8 | Confident | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | trans | -84.1 | 144.9 | -172 | 0 | 0 | 0 | 0 | 0 | 116.4 | G678 N737 N799 G802 | G678-G740 WeakPolarHBondContact O-CA 3.38Å; N737-G740 WeakPolarHBondContact ND2-CA 3.35Å; N737-G740 VanDerWaalsContact OD1-CA 3.27Å; N737-G740 WeakPolarHBondContact OD1-CA 3.42Å; N737-G740 PolarHBondContact OD1-N 3.29Å; G740-N799 PolarHBondContact O-ND2 3.11Å; G740-N799 PolarHBondContact O-OD1 3.07Å; G740-G802 WeakPolarHBondContact O-CA 3.42Å | ||
| 741 | S | 71.7 | Confident | 76.1 | Confident | 49 Ų | 49 | 25.5 Ų | 25.5 | 34% | 0.343 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -65.9 | -39.9 | -179.2 | 41.1 | 0 | 0 | 0 | 0 | 113.8 | S679 S803 T804 | S679-S741 PolarHBondContact O-N 3.1Å; S679-S741 PolarHBondContact O-OG 3.27Å; S741-S803 PolarHBondContact O-N 3.25Å; S741-S803 PolarHBondContact O-OG 3.15Å; S741-T804 PolarHBondContact O-N 3.15Å; S741-T804 PolarHBondContact O-OG1 3.1Å |
| 742 | T | 75.6 | Confident | 76.5 | Confident | 45 Ų | 45 | 27.4 Ų | 27.4 | 28% | 0.276 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 117.8 | -172 | -31.2 | 0 | 0 | 0 | 0 | 110.2 | S679 F681 | S679-T742 PolarHBondContact O-N 3.29Å; F681-T742 PolarHBondContact N-O 3.03Å |
| 743 | F | 81.9 | Confident | 76.8 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 118.6 | 179.2 | -179.8 | -83.7 | 0 | 0 | 0 | 110.4 | F681 A735 N737 Q745 A797 N799 T804 F805 N806 | F681-F743 HydrophobicContact CB-CD2 4.19Å; F681-F743 AromaticContact CD1-CD2 3.52Å; F681-F743 HydrophobicContact CD1-CD2 3.52Å; F681-F743 AromaticContact CD1-CE2 3.48Å; F681-F743 HydrophobicContact CD1-CE2 3.48Å; F681-F743 VanDerWaalsContact CD1-CE2 3.48Å; F681-F743 HydrophobicContact CD1-CG 4.38Å; F681-F743 HydrophobicContact CD1-CZ 4.26Å; F681-F743 HydrophobicContact CE1-CD2 4.15Å; F681-F743 AromaticContact CE1-CE2 3.61Å; F681-F743 HydrophobicContact CE1-CE2 3.61Å; F681-F743 HydrophobicContact CE1-CZ 4.15Å; F681-F743 HydrophobicContact CG-CD2 4.01Å; F681-F743 HydrophobicContact CG-CE2 4.22Å; F681-F743 HydrophobicContact CZ-CE2 4.39Å; A735-F743 HydrophobicContact CB-CE2 3.76Å; A735-F743 HydrophobicContact CB-CZ 3.54Å; N737-F743 HydrophobicContact CB-CD2 3.72Å; N737-F743 HydrophobicContact CB-CE2 4.21Å; F743-Q745 HydrophobicContact CE1-CB 3.68Å; F743-Q745 HydrophobicContact CZ-CB 4.04Å; F743-A797 HydrophobicContact CE1-CB 3.42Å; F743-A797 VanDerWaalsContact CE1-CB 3.42Å; F743-A797 HydrophobicContact CZ-CB 3.42Å; F743-A797 VanDerWaalsContact CZ-CB 3.42Å; F743-N799 HydrophobicContact CB-CB 4.24Å; F743-N799 WeakPolarHBondContact CB-ND2 3.38Å; F743-N799 HydrophobicContact CD2-CB 4.46Å; F743-N799 HydrophobicContact CG-CB 4.26Å; F743-T804 PolarHBondContact N-O 3.42Å; F743-F805 HydrophobicContact CB-CD2 4.31Å; F743-F805 AromaticContact CD1-CD2 3.41Å; F743-F805 HydrophobicContact CD1-CD2 3.41Å; F743-F805 VanDerWaalsContact CD1-CD2 3.41Å; F743-F805 AromaticContact CD1-CE2 3.51Å; F743-F805 HydrophobicContact CD1-CE2 3.51Å; F743-F805 HydrophobicContact CD1-CG 4.39Å; F743-F805 AromaticContact CE1-CD2 3.98Å; F743-F805 HydrophobicContact CE1-CD2 3.98Å; F743-F805 AromaticContact CE1-CE2 3.54Å; F743-F805 HydrophobicContact CE1-CE2 3.54Å; F743-F805 HydrophobicContact CE1-CZ 4.32Å; F743-F805 HydrophobicContact CG-CD2 4.04Å; F743-F805 HydrophobicContact CG-CE2 4.36Å; F743-F805 HydrophobicContact CZ-CE2 4.38Å; F743-N806 PolarHBondContact O-N 3.1Å |
| 744 | N | 80.2 | Confident | 77 | Confident | 52 Ų | 52 | 27 Ų | 27 | 28% | 0.278 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 121.4 | 173 | -57.7 | -54.2 | 0 | 0 | 0 | 109.8 | F681 N682 Q683 N806 | F681-N744 PolarHBondContact O-N 2.8Å; N682-N744 WeakPolarHBondContact CA-O 3.42Å; N682-N744 PolarHBondContact OD1-ND2 2.85Å; Q683-N744 PolarHBondContact N-O 3.44Å; N744-N806 WeakPolarHBondContact CA-O 3.33Å; N744-N806 WeakPolarHBondContact OD1-CB 3.39Å; N744-N806 PolarHBondContact OD1-ND2 3.13Å |
| 745 | Q | 80 | Confident | 76.6 | Confident | 4 Ų | 4 | 25.5 Ų | 25.5 | 2% | 0.019 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 117 | 169.7 | -178 | -174.7 | 62 | 0 | 0 | 109 | Q683 F743 V795 S796 N806 Q807 G808 | Q683-Q745 CarbonylContact O-C 3.42Å; Q683-Q745 WeakPolarHBondContact O-CA 3.26Å; F743-Q745 HydrophobicContact CE1-CB 3.68Å; F743-Q745 HydrophobicContact CZ-CB 4.04Å; Q745-V795 HydrophobicContact CG-CG1 4.48Å; Q745-S796 PolarHBondContact NE2-O 2.92Å; Q745-S796 VanDerWaalsContact NE2-O 3.1Å; Q745-N806 PolarHBondContact N-O 3.33Å; Q745-Q807 CarbonylContact O-C 3.59Å; Q745-Q807 WeakPolarHBondContact O-CA 3.4Å; Q745-G808 PolarHBondContact O-N 3.09Å |
| 746 | G | 72.1 | Confident | 76.4 | Confident | 30 Ų | 30 | 25.3 Ų | 25.3 | 31% | 0.309 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 130.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q683 F685 | Q683-G746 PolarHBondContact O-N 3.32Å; F685-G746 PolarHBondContact N-O 3.25Å |
| 747 | F | 78.5 | Confident | 76.4 | Confident | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.009 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 119.8 | 171.3 | -176.5 | -83.7 | 0 | 0 | 0 | 109.2 | F685 V731 V733 V793 V795 G808 F809 T810 | F685-F747 HydrophobicContact CB-CD2 4.03Å; F685-F747 AromaticContact CD1-CD2 3.45Å; F685-F747 HydrophobicContact CD1-CD2 3.45Å; F685-F747 VanDerWaalsContact CD1-CD2 3.45Å; F685-F747 AromaticContact CD1-CE2 3.26Å; F685-F747 HydrophobicContact CD1-CE2 3.26Å; F685-F747 HydrophobicContact CD1-CG 4.32Å; F685-F747 HydrophobicContact CD1-CZ 4Å; F685-F747 HydrophobicContact CE1-CD2 4.16Å; F685-F747 AromaticContact CE1-CE2 3.48Å; F685-F747 HydrophobicContact CE1-CE2 3.48Å; F685-F747 VanDerWaalsContact CE1-CE2 3.48Å; F685-F747 AromaticContact CE1-CZ 3.95Å; F685-F747 HydrophobicContact CE1-CZ 3.95Å; F685-F747 AromaticContact CG-CD2 3.88Å; F685-F747 HydrophobicContact CG-CD2 3.88Å; F685-F747 AromaticContact CG-CE2 3.99Å; F685-F747 HydrophobicContact CG-CE2 3.99Å; F685-F747 HydrophobicContact CZ-CE2 4.34Å; F685-F747 CarbonylContact O-C 3.57Å; F685-F747 WeakPolarHBondContact O-CA 3.28Å; V731-F747 HydrophobicContact CG1-CE2 3.74Å; V731-F747 HydrophobicContact CG1-CZ 4.3Å; V733-F747 HydrophobicContact CG2-CD2 4.03Å; V733-F747 HydrophobicContact CG2-CE2 4.11Å; F747-V793 HydrophobicContact CE1-CG1 3.9Å; F747-V793 HydrophobicContact CE2-CG1 3.86Å; F747-V793 HydrophobicContact CZ-CG1 3.48Å; F747-V793 VanDerWaalsContact CZ-CG1 3.48Å; F747-V793 HydrophobicContact CZ-CG2 4.26Å; F747-V795 HydrophobicContact CB-CG2 4.28Å; F747-V795 HydrophobicContact CD2-CG2 3.73Å; F747-V795 HydrophobicContact CE2-CG2 4.21Å; F747-V795 HydrophobicContact CG-CG2 3.96Å; F747-G808 PolarHBondContact N-O 2.57Å; F747-F809 HydrophobicContact CB-CD2 4.04Å; F747-F809 AromaticContact CD1-CD2 3.43Å; F747-F809 HydrophobicContact CD1-CD2 3.43Å; F747-F809 VanDerWaalsContact CD1-CD2 3.43Å; F747-F809 AromaticContact CD1-CE2 3.26Å; F747-F809 HydrophobicContact CD1-CE2 3.26Å; F747-F809 HydrophobicContact CD1-CG 4.35Å; F747-F809 HydrophobicContact CD1-CZ 4.07Å; F747-F809 HydrophobicContact CE1-CD2 4.16Å; F747-F809 AromaticContact CE1-CE2 3.5Å; F747-F809 HydrophobicContact CE1-CE2 3.5Å; F747-F809 HydrophobicContact CE1-CZ 4.04Å; F747-F809 AromaticContact CG-CD2 3.94Å; F747-F809 HydrophobicContact CG-CD2 3.94Å; F747-F809 HydrophobicContact CG-CE2 4.06Å; F747-F809 HydrophobicContact CZ-CE2 4.45Å; F747-F809 CarbonylContact O-C 3.59Å; F747-F809 WeakPolarHBondContact O-CA 3.17Å; F747-T810 PolarHBondContact O-N 3.01Å |
| 748 | T | 77.7 | Confident | 76.4 | Confident | 57 Ų | 57 | 26.7 Ų | 26.7 | 35% | 0.35 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 123.4 | 177.1 | -55.5 | 0 | 0 | 0 | 0 | 109.3 | F685 T686 Y687 T810 | F685-T748 PolarHBondContact O-N 2.86Å; T686-T748 WeakPolarHBondContact CA-O 3.44Å; Y687-T748 PolarHBondContact N-O 3.46Å; T748-T810 WeakPolarHBondContact CA-O 3.36Å |
| 749 | Y | 78.4 | Confident | 76.9 | Confident | 3 Ų | 3 | 26.2 Ų | 26.2 | 1% | 0.012 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 119.3 | 169.6 | -179.4 | -80.2 | 0 | 0 | 0 | 108.2 | Y687 L729 V751 K788 T810 Y811 G812 | Y687-Y749 AromaticContact CD1-CD2 3.44Å; Y687-Y749 HydrophobicContact CD1-CD2 3.44Å; Y687-Y749 VanDerWaalsContact CD1-CD2 3.44Å; Y687-Y749 AromaticContact CD1-CE2 3.25Å; Y687-Y749 HydrophobicContact CD1-CE2 3.25Å; Y687-Y749 HydrophobicContact CD1-CG 4.27Å; Y687-Y749 AromaticContact CD1-CZ 3.92Å; Y687-Y749 HydrophobicContact CE1-CD2 4.19Å; Y687-Y749 AromaticContact CE1-CE2 3.51Å; Y687-Y749 HydrophobicContact CE1-CE2 3.51Å; Y687-Y749 AromaticContact CE1-CZ 3.9Å; Y687-Y749 AromaticContact CG-CD2 3.88Å; Y687-Y749 HydrophobicContact CG-CD2 3.88Å; Y687-Y749 AromaticContact CG-CE2 3.96Å; Y687-Y749 HydrophobicContact CG-CE2 3.96Å; L729-Y749 HydrophobicContact CD2-CD2 4.41Å; L729-Y749 HydrophobicContact CD2-CE2 3.61Å; Y749-V751 HydrophobicContact CE1-CG2 3.73Å; Y749-V751 VanDerWaalsContact OH-CG2 3.31Å; Y749-V751 WeakPolarHBondContact OH-CG2 3.39Å; Y749-K788 WeakPolarHBondContact OH-CE 3.48Å; Y749-K788 PolarHBondContact OH-NZ 2.86Å; Y749-T810 PolarHBondContact N-O 3.26Å; Y749-Y811 AromaticContact CD1-CD2 3.43Å; Y749-Y811 HydrophobicContact CD1-CD2 3.43Å; Y749-Y811 VanDerWaalsContact CD1-CD2 3.43Å; Y749-Y811 AromaticContact CD1-CE2 3.29Å; Y749-Y811 HydrophobicContact CD1-CE2 3.29Å; Y749-Y811 HydrophobicContact CD1-CG 4.33Å; Y749-Y811 HydrophobicContact CE1-CD2 4.21Å; Y749-Y811 AromaticContact CE1-CE2 3.58Å; Y749-Y811 HydrophobicContact CE1-CE2 3.58Å; Y749-Y811 AromaticContact CG-CD2 3.88Å; Y749-Y811 HydrophobicContact CG-CD2 3.88Å; Y749-Y811 HydrophobicContact CG-CE2 4Å; Y749-Y811 WeakPolarHBondContact O-CA 3.45Å; Y749-G812 PolarHBondContact O-N 2.9Å |
| 750 | G | 76.7 | Confident | 77.3 | Confident | 21 Ų | 21 | 22 Ų | 22 | 22% | 0.216 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 133.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y687 G688 V689 G812 | Y687-G750 PolarHBondContact O-N 2.84Å; G688-G750 WeakPolarHBondContact CA-O 3.42Å; V689-G750 PolarHBondContact N-O 3.01Å; V689-G750 VanDerWaalsContact N-O 3.11Å; G750-G812 WeakPolarHBondContact CA-O 3.39Å |
| 751 | V | 78.3 | Confident | 78 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 127 | 158.9 | 177.7 | 0 | 0 | 0 | 0 | 106.5 | V689 F722 Y749 F784 G812 V813 T814 | V689-V751 HydrophobicContact CB-CG2 4.38Å; V689-V751 CarbonylContact O-C 3.44Å; V689-V751 VanDerWaalsContact O-CA 3.3Å; V689-V751 WeakPolarHBondContact O-CA 3.34Å; F722-V751 HydrophobicContact CE1-CG1 3.97Å; F722-V751 HydrophobicContact CE2-CG1 4.12Å; F722-V751 HydrophobicContact CZ-CG1 3.44Å; F722-V751 VanDerWaalsContact CZ-CG1 3.44Å; Y749-V751 HydrophobicContact CE1-CG2 3.73Å; Y749-V751 VanDerWaalsContact OH-CG2 3.31Å; Y749-V751 WeakPolarHBondContact OH-CG2 3.39Å; V751-F784 HydrophobicContact CG1-CE2 4.13Å; V751-F784 HydrophobicContact CG1-CZ 4.38Å; V751-G812 PolarHBondContact N-O 3.2Å; V751-G812 VanDerWaalsContact N-O 3.07Å; V751-V813 HydrophobicContact CB-CG2 4.45Å; V751-V813 CarbonylContact O-C 3.53Å; V751-V813 VanDerWaalsContact O-CA 3.29Å; V751-V813 WeakPolarHBondContact O-CA 3.41Å; V751-T814 PolarHBondContact O-N 2.87Å |
| 752 | T | 81.3 | Confident | 78.1 | Confident | 45 Ų | 45 | 22.1 Ų | 22.1 | 28% | 0.276 | 14% | 0.142 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 126.7 | 175.9 | -59.3 | 0 | 0 | 0 | 0 | 107.2 | V689 T690 D691 T754 T814 | V689-T752 PolarHBondContact O-N 2.9Å; T690-T752 WeakPolarHBondContact CA-O 3.33Å; D691-T752 PolarHBondContact N-O 2.71Å; T752-T754 HydrophobicContact CG2-CG2 4.04Å; T752-T814 WeakPolarHBondContact CA-O 3.07Å |
| 753 | D | 80.4 | Confident | 78.4 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 129.8 | 164.9 | -171 | 15.4 | 0 | 0 | 0 | 106.4 | F722 F784 T814 | F722-D753 HydrophobicContact CB-CB 4.43Å; F722-D753 WeakPolarHBondContact CB-OD2 3.3Å; F722-D753 HydrophobicContact CG-CB 4.44Å; D753-F784 HydrophobicContact CB-CD2 3.58Å; D753-F784 HydrophobicContact CB-CE2 3.95Å; D753-F784 VanDerWaalsContact OD2-CD2 3.3Å; D753-F784 WeakPolarHBondContact OD2-CD2 3.44Å; D753-T814 PolarHBondContact N-O 3.35Å |
| 754 | T | 81 | Confident | 78 | Confident | 43 Ų | 43 | 23.2 Ų | 23.2 | 26% | 0.264 | 15% | 0.148 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 134.9 | 173.4 | 66.5 | 0 | 0 | 0 | 0 | 108 | D691 T692 A693 T752 T816 | D691-T754 PolarHBondContact O-N 2.88Å; T692-T754 WeakPolarHBondContact CA-OG1 3.29Å; T692-T754 HydrophobicContact CG2-CG2 4.46Å; A693-T754 WeakPolarHBondContact CB-O 3.42Å; A693-T754 PolarHBondContact N-O 3.4Å; A693-T754 VanDerWaalsContact N-O 3.1Å; A693-T754 PolarHBondContact N-OG1 2.9Å; T752-T754 HydrophobicContact CG2-CG2 4.04Å; T754-T816 VanDerWaalsContact CA-OG1 3.3Å; T754-T816 WeakPolarHBondContact CA-OG1 3.33Å |
| 755 | A | 73.1 | Confident | 77.8 | Confident | 14 Ų | 14 | 23.3 Ų | 23.3 | 12% | 0.116 | 15% | 0.151 | C | C | . | . | P | Polyproline II helix | trans | -85.4 | 161.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | D782 T816 A817 P818 | A755-D782 VanDerWaalsContact CB-OD2 3.31Å; A755-D782 WeakPolarHBondContact CB-OD2 3.12Å; A755-T816 WeakPolarHBondContact CB-O 3.09Å; A755-T816 PolarHBondContact N-OG1 3.22Å; A755-A817 VanDerWaalsContact CB-C 3.5Å; A755-P818 HydrophobicContact CB-CB 4.16Å; A755-P818 HydrophobicContact CB-CG 3.84Å; A755-P818 VanDerWaalsContact CB-N 3.33Å |
| 756 | P | 75.2 | Confident | 77.3 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | P | Polyproline II helix | trans | -61.8 | 135.2 | 179.8 | -19 | 27.2 | 0 | 0 | 0 | 112.7 | A693 P694 D720 V758 D819 | A693-P756 HydrophobicContact CB-CB 4.23Å; A693-P756 HydrophobicContact CB-CG 3.79Å; P694-P756 WeakPolarHBondContact O-CA 3.25Å; D720-P756 HydrophobicContact CB-CG 3.82Å; P756-V758 HydrophobicContact CB-CG2 4.11Å; P756-D819 PolarHBondContact O-N 2.96Å |
| 757 | D | 79.7 | Confident | 77.1 | Confident | 68 Ų | 68 | 23.7 Ų | 23.7 | 36% | 0.364 | 15% | 0.149 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 119.6 | 161.6 | -171.3 | -10.8 | 0 | 0 | 0 | 109.3 | D695 V696 | D695-D757 WeakPolarHBondContact CA-O 3.28Å; D695-D757 VanDerWaalsContact OD1-CB 3.31Å; D695-D757 WeakPolarHBondContact OD1-CB 3.2Å; V696-D757 PolarHBondContact N-O 3.42Å |
| 758 | V | 77.5 | Confident | 76.3 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 118 | -176.4 | -174.3 | 0 | 0 | 0 | 0 | 111.4 | V696 T716 T718 P756 T778 T780 D819 V820 S821 | V696-V758 HydrophobicContact CB-CG2 4.37Å; V696-V758 WeakPolarHBondContact O-CA 3.45Å; T716-V758 HydrophobicContact CG2-CG1 3.74Å; T718-V758 HydrophobicContact CG2-CG1 4.46Å; T718-V758 HydrophobicContact CG2-CG2 3.59Å; T718-V758 WeakPolarHBondContact OG1-CG2 3.43Å; P756-V758 HydrophobicContact CB-CG2 4.11Å; V758-T778 HydrophobicContact CG1-CG2 3.78Å; V758-T780 HydrophobicContact CB-CG2 3.91Å; V758-T780 HydrophobicContact CG1-CG2 4.27Å; V758-T780 HydrophobicContact CG2-CG2 3.53Å; V758-D819 PolarHBondContact N-O 3.3Å; V758-V820 HydrophobicContact CB-CG1 4.44Å; V758-V820 HydrophobicContact CB-CG2 4.44Å; V758-V820 CarbonylContact O-C 3.53Å; V758-V820 WeakPolarHBondContact O-CA 3.38Å; V758-S821 PolarHBondContact O-N 3.3Å |
| 759 | S | 82.1 | Confident | 75.5 | Confident | 26 Ų | 26 | 23.8 Ų | 23.8 | 18% | 0.182 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 126.2 | 173.9 | 66.8 | 0 | 0 | 0 | 0 | 112 | V696 S697 T698 S821 | V696-S759 PolarHBondContact O-N 3.21Å; S697-S759 WeakPolarHBondContact CA-O 3.46Å; S697-S759 WeakPolarHBondContact CB-OG 3.26Å; T698-S759 PolarHBondContact N-O 2.92Å; S759-S821 WeakPolarHBondContact CA-O 3.25Å; S759-S821 WeakPolarHBondContact CB-OG 3.1Å |
| 760 | T | 77 | Confident | 74.9 | Confident | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 106.7 | 174.3 | -49.6 | 0 | 0 | 0 | 0 | 109.3 | T698 T714 T776 T778 S821 T822 N823 | T698-T760 WeakPolarHBondContact O-CA 3.4Å; T714-T760 HydrophobicContact CG2-CG2 3.82Å; T760-T776 HydrophobicContact CG2-CG2 3.86Å; T760-T778 PolarHBondContact OG1-OG1 2.68Å; T760-S821 PolarHBondContact N-O 3.35Å; T760-T822 CarbonylContact O-C 3.54Å; T760-T822 WeakPolarHBondContact O-CA 3.44Å; T760-N823 PolarHBondContact O-N 3.21Å |
| 761 | N | 79.6 | Confident | 74.6 | Confident | 49 Ų | 49 | 28 Ų | 28 | 26% | 0.262 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 127.8 | -178.9 | -55.3 | -59.1 | 0 | 0 | 0 | 111.3 | T698 N699 S700 N823 | T698-N761 PolarHBondContact O-N 3.26Å; N699-N761 CarbonylContact C-O 3.51Å; N699-N761 WeakPolarHBondContact CA-O 3.49Å; N699-N761 WeakPolarHBondContact OD1-CB 3.34Å; N699-N761 PolarHBondContact OD1-ND2 2.93Å; S700-N761 PolarHBondContact N-O 2.85Å; N761-N823 CarbonylContact C-O 3.55Å; N761-N823 VanDerWaalsContact CA-O 3.3Å; N761-N823 WeakPolarHBondContact CA-O 3.12Å; N761-N823 WeakPolarHBondContact OD1-CB 3.4Å; N761-N823 PolarHBondContact OD1-ND2 3.36Å |
| 762 | S | 74.7 | Confident | 74.5 | Confident | 5 Ų | 5 | 28.1 Ų | 28.1 | 4% | 0.035 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 124.7 | 178.1 | -70 | 0 | 0 | 0 | 0 | 111.5 | S700 N823 S824 T825 | S700-S762 CarbonylContact O-C 3.51Å; S700-S762 WeakPolarHBondContact O-CA 3.48Å; S762-N823 PolarHBondContact N-O 2.88Å; S762-S824 CarbonylContact O-C 3.56Å; S762-S824 WeakPolarHBondContact O-CA 3.2Å; S762-T825 PolarHBondContact O-N 2.93Å |
| 763 | T | 80.3 | Confident | 74.3 | Confident | 62 Ų | 62 | 28.3 Ų | 28.3 | 38% | 0.38 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 108.9 | 169.7 | -58.9 | 0 | 0 | 0 | 0 | 108.8 | S700 T701 I702 T825 | S700-T763 PolarHBondContact O-N 3.34Å; T701-T763 WeakPolarHBondContact CA-O 3.2Å; I702-T763 PolarHBondContact N-O 2.71Å; T763-T825 WeakPolarHBondContact CA-O 3.32Å |
| 764 | I | 75 | Confident | 74 | Confident | 6 Ų | 6 | 28.4 Ų | 28.4 | 3% | 0.031 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 121.8 | -175.5 | -57.2 | 175.4 | 0 | 0 | 0 | 109.5 | I702 F710 T712 F772 T774 T825 I826 T827 | I702-I764 HydrophobicContact CB-CG1 4.44Å; I702-I764 WeakPolarHBondContact O-CA 3.29Å; F710-I764 HydrophobicContact CE1-CG2 3.64Å; F710-I764 HydrophobicContact CZ-CG2 3.47Å; F710-I764 VanDerWaalsContact CZ-CG2 3.47Å; T712-I764 HydrophobicContact CG2-CD1 4.4Å; I764-F772 HydrophobicContact CG2-CE2 4.02Å; I764-F772 HydrophobicContact CG2-CZ 3.94Å; I764-T774 HydrophobicContact CD1-CG2 3.84Å; I764-T825 PolarHBondContact N-O 3.23Å; I764-I826 HydrophobicContact CB-CG1 4.45Å; I764-I826 CarbonylContact O-C 3.53Å; I764-I826 WeakPolarHBondContact O-CA 3.49Å; I764-T827 PolarHBondContact O-N 3.11Å |
| 765 | T | 76 | Confident | 74 | Confident | 54 Ų | 54 | 28.2 Ų | 28.2 | 33% | 0.331 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 113.9 | 171.6 | -57.5 | 0 | 0 | 0 | 0 | 109.7 | I702 T703 A704 T827 | I702-T765 PolarHBondContact O-N 3.37Å; T703-T765 WeakPolarHBondContact CA-O 3.45Å; A704-T765 PolarHBondContact N-O 2.94Å; T765-T827 WeakPolarHBondContact CA-O 3.32Å |
| 766 | A | 69 | Low | 74 | Confident | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.008 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 130.6 | 178 | 0 | 0 | 0 | 0 | 0 | 110.9 | A704 F710 F772 T827 A828 S829 | A704-A766 WeakPolarHBondContact O-CA 3.5Å; F710-A766 HydrophobicContact CD2-CB 4.5Å; A766-F772 HydrophobicContact CB-CD2 3.96Å; A766-F772 HydrophobicContact CB-CE2 3.7Å; A766-T827 PolarHBondContact N-O 2.84Å; A766-A828 VanDerWaalsContact O-CA 3.3Å; A766-A828 WeakPolarHBondContact O-CA 3.46Å; A766-S829 PolarHBondContact O-N 2.74Å |
| 767 | S | 66.9 | Low | 74.1 | Confident | 40 Ų | 40 | 29.6 Ų | 29.6 | 28% | 0.28 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 136.8 | 179.6 | 48.6 | 0 | 0 | 0 | 0 | 112.3 | A704 A706 S829 | A704-S767 PolarHBondContact O-N 2.76Å; A706-S767 WeakPolarHBondContact CA-O 3.45Å; A706-S767 PolarHBondContact N-O 2.99Å; S767-S829 WeakPolarHBondContact CA-OG 2.94Å; S767-S829 WeakPolarHBondContact CB-OG 3.47Å |
| 768 | A | 62.6 | Low | 73.8 | Confident | 61 Ų | 61 | 26.3 Ų | 26.3 | 50% | 0.504 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 59.1 | 57.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | T707 S829 | T707-A768 PolarHBondContact N-O 3.36Å; A768-S829 PolarHBondContact N-O 2.92Å |
| 769 | T | 60.5 | Low | 73.8 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 137.1 | -174.6 | -40 | 0 | 0 | 0 | 0 | 112.8 | T707 F710 F772 A830 T831 | T707-T769 WeakPolarHBondContact O-CA 3.36Å; T707-T769 WeakPolarHBondContact O-CB 3.29Å; T707-T769 WeakPolarHBondContact O-CG2 3.48Å; F710-T769 HydrophobicContact CB-CG2 3.67Å; T769-F772 HydrophobicContact CG2-CB 4.45Å; T769-A830 CarbonylContact O-C 3.51Å; T769-T831 WeakPolarHBondContact O-CA 3.4Å; T769-T831 VanDerWaalsContact O-CG2 3.3Å; T769-T831 WeakPolarHBondContact O-CG2 3.05Å |
| 770 | T | 65.2 | Low | 73.5 | Confident | 59 Ų | 59 | 27 Ų | 27 | 36% | 0.362 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | -46.2 | 176.7 | 47.1 | 0 | 0 | 0 | 0 | 113.2 | T708 T832 N833 | T708-T770 PolarHBondContact O-N 3.31Å; T708-T770 VanDerWaalsContact O-N 3.07Å; T708-T770 PolarHBondContact O-OG1 3.02Å; T770-T832 PolarHBondContact O-N 2.73Å; T770-T832 VanDerWaalsContact O-N 3.11Å; T770-T832 PolarHBondContact O-OG1 2.91Å; T770-N833 PolarHBondContact O-N 3.4Å |
| 771 | N | 71.6 | Confident | 73.4 | Confident | 55 Ų | 55 | 29.4 Ų | 29.4 | 29% | 0.294 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 120.5 | 177.6 | -59.3 | -52.3 | 0 | 0 | 0 | 109.7 | T708 N709 F710 N833 | T708-N771 PolarHBondContact O-N 2.92Å; N709-N771 WeakPolarHBondContact CA-O 3.42Å; N709-N771 PolarHBondContact OD1-ND2 3.1Å; F710-N771 PolarHBondContact N-O 3.33Å; N771-N833 WeakPolarHBondContact OD1-CB 3.35Å; N771-N833 PolarHBondContact OD1-ND2 2.82Å |
| 772 | F | 75.9 | Confident | 73.2 | Confident | 1 Ų | 1 | 27.1 Ų | 27.1 | 0% | 0.004 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 119 | -179.4 | -176.3 | -84.5 | 0 | 0 | 0 | 109.7 | F710 I764 A766 T769 T774 I826 A828 T831 N833 F834 T835 | F710-F772 HydrophobicContact CB-CD2 4.04Å; F710-F772 AromaticContact CD1-CD2 3.41Å; F710-F772 HydrophobicContact CD1-CD2 3.41Å; F710-F772 VanDerWaalsContact CD1-CD2 3.41Å; F710-F772 AromaticContact CD1-CE2 3.24Å; F710-F772 HydrophobicContact CD1-CE2 3.24Å; F710-F772 HydrophobicContact CD1-CG 4.24Å; F710-F772 AromaticContact CD1-CZ 3.97Å; F710-F772 HydrophobicContact CD1-CZ 3.97Å; F710-F772 HydrophobicContact CE1-CD2 4.08Å; F710-F772 AromaticContact CE1-CE2 3.4Å; F710-F772 HydrophobicContact CE1-CE2 3.4Å; F710-F772 VanDerWaalsContact CE1-CE2 3.4Å; F710-F772 AromaticContact CE1-CZ 3.87Å; F710-F772 HydrophobicContact CE1-CZ 3.87Å; F710-F772 AromaticContact CG-CD2 3.91Å; F710-F772 HydrophobicContact CG-CD2 3.91Å; F710-F772 HydrophobicContact CG-CE2 4.02Å; F710-F772 HydrophobicContact CZ-CE2 4.31Å; I764-F772 HydrophobicContact CG2-CE2 4.02Å; I764-F772 HydrophobicContact CG2-CZ 3.94Å; A766-F772 HydrophobicContact CB-CD2 3.96Å; A766-F772 HydrophobicContact CB-CE2 3.7Å; T769-F772 HydrophobicContact CG2-CB 4.45Å; F772-T774 HydrophobicContact CD1-CG2 4.08Å; F772-T774 HydrophobicContact CE1-CG2 3.2Å; F772-T774 HydrophobicContact CE2-CG2 4.37Å; F772-T774 HydrophobicContact CZ-CG2 3.36Å; F772-I826 HydrophobicContact CE1-CD1 4.38Å; F772-I826 HydrophobicContact CE1-CG2 3.65Å; F772-I826 HydrophobicContact CE2-CG2 4.37Å; F772-I826 HydrophobicContact CZ-CG2 3.41Å; F772-I826 VanDerWaalsContact CZ-CG2 3.41Å; F772-A828 HydrophobicContact CD2-CB 4.38Å; F772-A828 HydrophobicContact CE2-CB 4.48Å; F772-T831 HydrophobicContact CB-CG2 3.91Å; F772-N833 PolarHBondContact N-O 3.32Å; F772-F834 HydrophobicContact CB-CD2 4.07Å; F772-F834 AromaticContact CD1-CD2 3.4Å; F772-F834 HydrophobicContact CD1-CD2 3.4Å; F772-F834 VanDerWaalsContact CD1-CD2 3.4Å; F772-F834 AromaticContact CD1-CE2 3.28Å; F772-F834 HydrophobicContact CD1-CE2 3.28Å; F772-F834 HydrophobicContact CD1-CG 4.24Å; F772-F834 HydrophobicContact CD1-CZ 4.04Å; F772-F834 HydrophobicContact CE1-CD2 4.04Å; F772-F834 AromaticContact CE1-CE2 3.4Å; F772-F834 HydrophobicContact CE1-CE2 3.4Å; F772-F834 AromaticContact CE1-CZ 3.89Å; F772-F834 HydrophobicContact CE1-CZ 3.89Å; F772-F834 AromaticContact CG-CD2 3.9Å; F772-F834 HydrophobicContact CG-CD2 3.9Å; F772-F834 HydrophobicContact CG-CE2 4.04Å; F772-F834 HydrophobicContact CZ-CE2 4.27Å; F772-F834 WeakPolarHBondContact O-CA 3.34Å; F772-T835 PolarHBondContact O-N 3.34Å |
| 773 | T | 78 | Confident | 73.1 | Confident | 49 Ų | 49 | 28 Ų | 28 | 30% | 0.301 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 125.5 | 179.5 | -54.5 | 0 | 0 | 0 | 0 | 110.1 | F710 T711 T712 T835 | F710-T773 PolarHBondContact O-N 3.09Å; T711-T773 CarbonylContact C-O 3.49Å; T711-T773 VanDerWaalsContact CA-O 3.27Å; T711-T773 WeakPolarHBondContact CA-O 3.45Å; T712-T773 PolarHBondContact N-O 3.03Å; T773-T835 CarbonylContact C-O 3.56Å; T773-T835 VanDerWaalsContact CA-O 3.3Å; T773-T835 WeakPolarHBondContact CA-O 3.31Å |
| 774 | T | 74 | Confident | 72.8 | Confident | 3 Ų | 3 | 25.1 Ų | 25.1 | 2% | 0.018 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 132.3 | 173.5 | 59.4 | 0 | 0 | 0 | 0 | 109.1 | F710 T712 I764 F772 I826 T835 T836 T837 | F710-T774 HydrophobicContact CE1-CG2 4.3Å; T712-T774 WeakPolarHBondContact O-CA 3.34Å; T712-T774 WeakPolarHBondContact OG1-CB 3.49Å; T712-T774 VanDerWaalsContact OG1-CG2 3.29Å; T712-T774 WeakPolarHBondContact OG1-CG2 3.19Å; I764-T774 HydrophobicContact CD1-CG2 3.84Å; F772-T774 HydrophobicContact CD1-CG2 4.08Å; F772-T774 HydrophobicContact CE1-CG2 3.2Å; F772-T774 HydrophobicContact CE2-CG2 4.37Å; F772-T774 HydrophobicContact CZ-CG2 3.36Å; T774-I826 HydrophobicContact CG2-CD1 4.32Å; T774-T835 PolarHBondContact N-O 3.28Å; T774-T836 CarbonylContact O-C 3.58Å; T774-T836 WeakPolarHBondContact O-CA 3.43Å; T774-T836 WeakPolarHBondContact OG1-CA 3.26Å; T774-T836 WeakPolarHBondContact OG1-CB 3.46Å; T774-T836 WeakPolarHBondContact OG1-CG2 3.46Å; T774-T836 PolarHBondContact OG1-OG1 3.21Å; T774-T837 PolarHBondContact O-N 2.83Å |
| 775 | T | 79.2 | Confident | 72.6 | Confident | 39 Ų | 39 | 27.5 Ų | 27.5 | 24% | 0.239 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 118.4 | 176.8 | -56.1 | 0 | 0 | 0 | 0 | 108.6 | T712 T713 T714 T837 | T712-T775 PolarHBondContact O-N 3.2Å; T713-T775 CarbonylContact C-O 3.58Å; T713-T775 VanDerWaalsContact CA-O 3.3Å; T713-T775 WeakPolarHBondContact CA-O 3.38Å; T714-T775 PolarHBondContact N-O 3.25Å; T775-T837 CarbonylContact C-O 3.59Å; T775-T837 WeakPolarHBondContact CA-O 3.46Å |
| 776 | T | 73.7 | Confident | 72.3 | Confident | 6 Ų | 6 | 25 Ų | 25 | 4% | 0.037 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 121.4 | 171.7 | -52.7 | 0 | 0 | 0 | 0 | 108 | T714 T760 T837 T838 T839 | T714-T776 CarbonylContact O-C 3.57Å; T714-T776 VanDerWaalsContact O-CA 3.3Å; T714-T776 WeakPolarHBondContact O-CA 3.16Å; T760-T776 HydrophobicContact CG2-CG2 3.86Å; T776-T837 PolarHBondContact N-O 3.14Å; T776-T838 CarbonylContact O-C 3.54Å; T776-T838 VanDerWaalsContact O-CA 3.31Å; T776-T838 WeakPolarHBondContact O-CA 3.5Å; T776-T839 PolarHBondContact O-N 3.15Å |
| 777 | T | 78.4 | Confident | 71.9 | Confident | 36 Ų | 36 | 26.9 Ų | 26.9 | 22% | 0.221 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 115.4 | 174.7 | -55.7 | 0 | 0 | 0 | 0 | 108.6 | T714 T715 T716 T839 | T714-T777 PolarHBondContact O-N 2.83Å; T715-T777 CarbonylContact C-O 3.52Å; T715-T777 VanDerWaalsContact CA-O 3.27Å; T715-T777 WeakPolarHBondContact CA-O 3.29Å; T716-T777 PolarHBondContact N-O 3.45Å; T777-T839 CarbonylContact C-O 3.6Å; T777-T839 WeakPolarHBondContact CA-O 3.45Å |
| 778 | T | 73 | Confident | 71.5 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 117.2 | 173.7 | -53 | 0 | 0 | 0 | 0 | 107.8 | T716 V758 T760 T780 V820 T822 T839 T840 T841 | T716-T778 CarbonylContact O-C 3.57Å; T716-T778 VanDerWaalsContact O-CA 3.28Å; T716-T778 WeakPolarHBondContact O-CA 3.45Å; V758-T778 HydrophobicContact CG1-CG2 3.78Å; T760-T778 PolarHBondContact OG1-OG1 2.68Å; T778-T780 HydrophobicContact CG2-CG2 4.32Å; T778-V820 HydrophobicContact CG2-CG1 3.71Å; T778-T822 HydrophobicContact CG2-CG2 4.45Å; T778-T822 WeakPolarHBondContact OG1-CG2 3.12Å; T778-T839 PolarHBondContact N-O 2.83Å; T778-T840 CarbonylContact O-C 3.58Å; T778-T840 VanDerWaalsContact O-CA 3.26Å; T778-T840 WeakPolarHBondContact O-CA 3.28Å; T778-T841 PolarHBondContact O-N 2.92Å |
| 779 | T | 77.4 | Confident | 70.8 | Confident | 40 Ų | 40 | 26.6 Ų | 26.6 | 25% | 0.245 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 118.1 | 176.7 | -54.2 | 0 | 0 | 0 | 0 | 108.1 | T716 T717 T718 T841 | T716-T779 PolarHBondContact O-N 2.92Å; T717-T779 CarbonylContact C-O 3.56Å; T717-T779 VanDerWaalsContact CA-O 3.22Å; T717-T779 WeakPolarHBondContact CA-O 3.45Å; T718-T779 PolarHBondContact N-O 3.09Å; T779-T841 CarbonylContact C-O 3.59Å; T779-T841 VanDerWaalsContact CA-O 3.31Å; T779-T841 WeakPolarHBondContact CA-O 3.15Å |
| 780 | T | 75 | Confident | 70.6 | Confident | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 129.7 | 172.8 | 66.7 | 0 | 0 | 0 | 0 | 108.6 | T718 V758 T778 V820 T841 T842 T843 | T718-T780 WeakPolarHBondContact O-CA 3.46Å; T718-T780 WeakPolarHBondContact OG1-CB 3.41Å; T718-T780 VanDerWaalsContact OG1-CG2 3.29Å; T718-T780 WeakPolarHBondContact OG1-CG2 3.36Å; V758-T780 HydrophobicContact CB-CG2 3.91Å; V758-T780 HydrophobicContact CG1-CG2 4.27Å; V758-T780 HydrophobicContact CG2-CG2 3.53Å; T778-T780 HydrophobicContact CG2-CG2 4.32Å; T780-V820 HydrophobicContact CG2-CG1 4.39Å; T780-V820 HydrophobicContact CG2-CG2 3.53Å; T780-V820 WeakPolarHBondContact OG1-CG2 3.44Å; T780-T841 PolarHBondContact N-O 3.36Å; T780-T842 CarbonylContact O-C 3.55Å; T780-T842 WeakPolarHBondContact O-CA 3.47Å; T780-T842 WeakPolarHBondContact OG1-CG2 3.46Å; T780-T843 PolarHBondContact O-N 3.45Å |
| 781 | T | 75.4 | Confident | 70.5 | Confident | 50 Ų | 50 | 27.2 Ų | 27.2 | 31% | 0.307 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 121.9 | 174.8 | -53.8 | 0 | 0 | 0 | 0 | 107.6 | T718 T719 D720 T843 | T718-T781 PolarHBondContact O-N 3.05Å; T719-T781 CarbonylContact C-O 3.59Å; T719-T781 VanDerWaalsContact CA-O 3.25Å; T719-T781 WeakPolarHBondContact CA-O 3.2Å; D720-T781 PolarHBondContact N-O 2.79Å; T781-T843 CarbonylContact C-O 3.6Å; T781-T843 WeakPolarHBondContact CA-O 3.47Å |
| 782 | D | 76.2 | Confident | 70.1 | Confident | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 135.6 | 174.2 | 173.3 | 20.8 | 0 | 0 | 0 | 108.3 | D720 A755 P818 T843 D844 G845 | D720-D782 WeakPolarHBondContact O-CA 3.46Å; A755-D782 VanDerWaalsContact CB-OD2 3.31Å; A755-D782 WeakPolarHBondContact CB-OD2 3.12Å; D782-P818 HydrophobicContact CB-CG 3.67Å; D782-T843 PolarHBondContact N-O 3.44Å; D782-D844 WeakPolarHBondContact O-CA 3.39Å; D782-G845 PolarHBondContact O-N 2.9Å |
| 783 | G | 71.4 | Confident | 69.7 | Low | 25 Ų | 25 | 28.4 Ų | 28.4 | 26% | 0.258 | 18% | 0.178 | S | C | . | . | trans | -136.7 | 79.2 | -168.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | D720 F722 N785 | D720-G783 PolarHBondContact O-N 2.89Å; D720-G783 VanDerWaalsContact O-N 3.14Å; F722-G783 PolarHBondContact N-O 3.25Å; F722-G783 VanDerWaalsContact O-O 3.14Å; G783-N785 PolarHBondContact O-N 3.4Å; G783-N785 VanDerWaalsContact O-N 3.16Å | ||
| 784 | F | 73.9 | Confident | 69 | Low | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -72 | 106.5 | 168.6 | -174.5 | -89.6 | 0 | 0 | 0 | 112.6 | F722 V751 D753 Q786 V813 G845 F846 N847 | F722-F784 HydrophobicContact CB-CD2 4.1Å; F722-F784 AromaticContact CD1-CD2 3.4Å; F722-F784 HydrophobicContact CD1-CD2 3.4Å; F722-F784 VanDerWaalsContact CD1-CD2 3.4Å; F722-F784 AromaticContact CD1-CE2 3.35Å; F722-F784 HydrophobicContact CD1-CE2 3.35Å; F722-F784 HydrophobicContact CD1-CG 4.22Å; F722-F784 HydrophobicContact CD1-CZ 4.11Å; F722-F784 HydrophobicContact CE1-CD2 4.04Å; F722-F784 AromaticContact CE1-CE2 3.47Å; F722-F784 HydrophobicContact CE1-CE2 3.47Å; F722-F784 VanDerWaalsContact CE1-CE2 3.47Å; F722-F784 AromaticContact CE1-CZ 3.96Å; F722-F784 HydrophobicContact CE1-CZ 3.96Å; F722-F784 AromaticContact CG-CD2 3.89Å; F722-F784 HydrophobicContact CG-CD2 3.89Å; F722-F784 HydrophobicContact CG-CE2 4.08Å; F722-F784 HydrophobicContact CZ-CE2 4.28Å; V751-F784 HydrophobicContact CG1-CE2 4.13Å; V751-F784 HydrophobicContact CG1-CZ 4.38Å; D753-F784 HydrophobicContact CB-CD2 3.58Å; D753-F784 HydrophobicContact CB-CE2 3.95Å; D753-F784 VanDerWaalsContact OD2-CD2 3.3Å; D753-F784 WeakPolarHBondContact OD2-CD2 3.44Å; F784-Q786 HydrophobicContact CD1-CB 4.5Å; F784-Q786 HydrophobicContact CE1-CB 3.57Å; F784-Q786 HydrophobicContact CZ-CB 3.77Å; F784-V813 HydrophobicContact CE1-CG1 4.06Å; F784-V813 HydrophobicContact CE2-CG1 4.17Å; F784-V813 HydrophobicContact CZ-CG1 3.47Å; F784-V813 VanDerWaalsContact CZ-CG1 3.47Å; F784-G845 VanDerWaalsContact O-O 3.12Å; F784-F846 HydrophobicContact CB-CD2 4.06Å; F784-F846 AromaticContact CD1-CD2 3.35Å; F784-F846 HydrophobicContact CD1-CD2 3.35Å; F784-F846 AromaticContact CD1-CE2 3.39Å; F784-F846 HydrophobicContact CD1-CE2 3.39Å; F784-F846 HydrophobicContact CD1-CG 4.39Å; F784-F846 HydrophobicContact CD1-CZ 4.44Å; F784-F846 HydrophobicContact CE1-CD2 4.03Å; F784-F846 AromaticContact CE1-CE2 3.56Å; F784-F846 HydrophobicContact CE1-CE2 3.56Å; F784-F846 HydrophobicContact CE1-CZ 4.36Å; F784-F846 AromaticContact CG-CD2 3.9Å; F784-F846 HydrophobicContact CG-CD2 3.9Å; F784-F846 HydrophobicContact CG-CE2 4.17Å; F784-F846 HydrophobicContact CZ-CE2 4.44Å; F784-N847 PolarHBondContact O-N 3.48Å | ||
| 785 | N | 71.8 | Confident | 68.7 | Low | 57 Ų | 57 | 30.7 Ų | 30.7 | 31% | 0.305 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 103.4 | 171.7 | -168.7 | -20.5 | 0 | 0 | 0 | 112 | F722 N723 Q724 G783 S787 | F722-N785 WeakPolarHBondContact O-CA 2.92Å; F722-N785 PolarHBondContact O-N 3.37Å; N723-N785 WeakPolarHBondContact CA-O 3.26Å; Q724-N785 PolarHBondContact N-O 3.13Å; G783-N785 PolarHBondContact O-N 3.4Å; G783-N785 VanDerWaalsContact O-N 3.16Å; N785-S787 PolarHBondContact OD1-N 2.9Å |
| 786 | Q | 69.5 | Low | 68.3 | Low | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 97.1 | 166.7 | -172.2 | 179.8 | 98.1 | 0 | 0 | 110 | F784 K788 N847 S849 | F784-Q786 HydrophobicContact CD1-CB 4.5Å; F784-Q786 HydrophobicContact CE1-CB 3.57Å; F784-Q786 HydrophobicContact CZ-CB 3.77Å; Q786-K788 VanDerWaalsContact CD-CE 3.48Å; Q786-K788 HydrophobicContact CG-CD 4.25Å; Q786-K788 HydrophobicContact CG-CG 4.26Å; Q786-N847 PolarHBondContact N-O 3.18Å; Q786-S849 PolarHBondContact O-N 3.14Å; Q786-S849 PolarHBondContact O-OG 3.39Å |
| 787 | S | 60.8 | Low | 68.1 | Low | 41 Ų | 41 | 33 Ų | 33 | 29% | 0.287 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 108.2 | 174.4 | 58.6 | 0 | 0 | 0 | 0 | 110.8 | Q724 S725 K726 N785 | Q724-S787 PolarHBondContact O-N 2.9Å; S725-S787 WeakPolarHBondContact CA-O 3.02Å; K726-S787 PolarHBondContact N-O 3.33Å; N785-S787 PolarHBondContact OD1-N 2.9Å |
| 788 | K | 57.4 | Low | 67.6 | Low | 16 Ų | 16 | 33.9 Ų | 33.9 | 7% | 0.07 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 120.4 | 176.9 | -69 | 170.6 | 179.6 | 159 | 0 | 109 | Y749 Q786 S790 L791 | Y749-K788 WeakPolarHBondContact OH-CE 3.48Å; Y749-K788 PolarHBondContact OH-NZ 2.86Å; Q786-K788 VanDerWaalsContact CD-CE 3.48Å; Q786-K788 HydrophobicContact CG-CD 4.25Å; Q786-K788 HydrophobicContact CG-CG 4.26Å; K788-S790 VanDerWaalsContact C-N 3.31Å; K788-L791 HydrophobicContact CD-CB 4.47Å |
| 789 | S | 48.6 | Very low | 67.6 | Low | 79 Ų | 79 | 34.9 Ų | 34.9 | 55% | 0.552 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -76 | -17.6 | 173.3 | 42.2 | 0 | 0 | 0 | 0 | 113.8 | K726 S727 | K726-S789 PolarHBondContact O-N 3.41Å; K726-S789 PolarHBondContact O-OG 3.49Å; S727-S789 WeakPolarHBondContact CA-OG 3.24Å; S727-S789 PolarHBondContact O-OG 3.3Å |
| 790 | S | 57.1 | Low | 67 | Low | 32 Ų | 32 | 37.4 Ų | 37.4 | 22% | 0.224 | 25% | 0.249 | C | C | . | . | trans | -164.3 | 131.7 | 167.1 | 53.8 | 0 | 0 | 0 | 0 | 112 | S728 L729 K788 | S728-S790 WeakPolarHBondContact CB-OG 3.33Å; L729-S790 PolarHBondContact N-O 2.9Å; K788-S790 VanDerWaalsContact C-N 3.31Å | ||
| 791 | L | 62 | Low | 66.5 | Low | 40 Ų | 40 | 42.5 Ų | 42.5 | 21% | 0.209 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 104.1 | 168.8 | 175.5 | 65.2 | 0 | 0 | 0 | 108.3 | L729 K788 V793 Y811 | L729-L791 HydrophobicContact CB-CD1 3.92Å; L729-L791 HydrophobicContact CD2-CD1 3.5Å; L729-L791 VanDerWaalsContact CD2-CD1 3.5Å; L729-L791 HydrophobicContact CG-CD1 3.7Å; K788-L791 HydrophobicContact CD-CB 4.47Å; L791-V793 HydrophobicContact CD1-CG2 3.72Å; L791-V793 HydrophobicContact CG-CG2 4.02Å; L791-Y811 HydrophobicContact CD2-CE2 3.93Å |
| 792 | N | 64.4 | Low | 65.7 | Low | 37 Ų | 37 | 41.4 Ų | 41.4 | 20% | 0.198 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 93.9 | -179.6 | -82.3 | -33.5 | 0 | 0 | 0 | 109.8 | L729 N730 V731 E944 | L729-N792 PolarHBondContact O-N 2.92Å; N730-N792 CarbonylContact C-O 3.55Å; N730-N792 WeakPolarHBondContact CA-O 3.31Å; N730-N792 WeakPolarHBondContact OD1-CB 3.39Å; V731-N792 PolarHBondContact N-O 2.91Å; N792-E944 PolarHBondContact ND2-OE1 2.87Å; N792-E944 PolarHBondContact OD1-OE1 2.9Å |
| 793 | V | 65.9 | Low | 64.9 | Low | 43 Ų | 43 | 46 Ų | 46 | 26% | 0.261 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 111.2 | 176.5 | -179.9 | 0 | 0 | 0 | 0 | 108.7 | V731 F747 L791 V795 F809 | V731-V793 HydrophobicContact CB-CG2 4.39Å; V731-V793 CarbonylContact O-C 3.58Å; V731-V793 WeakPolarHBondContact O-CA 3.45Å; F747-V793 HydrophobicContact CE1-CG1 3.9Å; F747-V793 HydrophobicContact CE2-CG1 3.86Å; F747-V793 HydrophobicContact CZ-CG1 3.48Å; F747-V793 VanDerWaalsContact CZ-CG1 3.48Å; F747-V793 HydrophobicContact CZ-CG2 4.26Å; L791-V793 HydrophobicContact CD1-CG2 3.72Å; L791-V793 HydrophobicContact CG-CG2 4.02Å; V793-V795 HydrophobicContact CG1-CG2 3.82Å; V793-F809 HydrophobicContact CG1-CE2 3.94Å |
| 794 | A | 64.9 | Low | 64.5 | Low | 60 Ų | 60 | 47.8 Ų | 47.8 | 50% | 0.496 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 99 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109 | V731 A732 V733 | V731-A794 PolarHBondContact O-N 2.85Å; A732-A794 WeakPolarHBondContact CA-O 3.31Å; V733-A794 PolarHBondContact N-O 2.84Å |
| 795 | V | 67.4 | Low | 64.4 | Low | 40 Ų | 40 | 52.2 Ų | 52.2 | 24% | 0.242 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 122.3 | 173.3 | -174.6 | 0 | 0 | 0 | 0 | 108.1 | V733 Q745 F747 V793 F809 | V733-V795 HydrophobicContact CB-CG2 4.45Å; V733-V795 CarbonylContact O-C 3.59Å; V733-V795 WeakPolarHBondContact O-CA 3.48Å; Q745-V795 HydrophobicContact CG-CG1 4.48Å; F747-V795 HydrophobicContact CB-CG2 4.28Å; F747-V795 HydrophobicContact CD2-CG2 3.73Å; F747-V795 HydrophobicContact CE2-CG2 4.21Å; F747-V795 HydrophobicContact CG-CG2 3.96Å; V793-V795 HydrophobicContact CG1-CG2 3.82Å; V795-F809 HydrophobicContact CG2-CD2 4.35Å; V795-F809 HydrophobicContact CG2-CE2 4.41Å |
| 796 | S | 71.3 | Confident | 64.3 | Low | 65 Ų | 65 | 54 Ų | 54 | 46% | 0.455 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 132.8 | 177.5 | 58.1 | 0 | 0 | 0 | 0 | 110.1 | V733 S734 A735 Q745 | V733-S796 PolarHBondContact O-N 2.95Å; V733-S796 PolarHBondContact O-OG 3.32Å; S734-S796 WeakPolarHBondContact CA-O 3.23Å; S734-S796 WeakPolarHBondContact CB-OG 3.35Å; A735-S796 PolarHBondContact N-O 2.91Å; Q745-S796 PolarHBondContact NE2-O 2.92Å; Q745-S796 VanDerWaalsContact NE2-O 3.1Å |
| 797 | A | 68.6 | Low | 64.4 | Low | 30 Ų | 30 | 58.6 Ų | 58.6 | 25% | 0.248 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 137.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | A735 F743 F805 | A735-A797 WeakPolarHBondContact O-CA 3.45Å; F743-A797 HydrophobicContact CE1-CB 3.42Å; F743-A797 VanDerWaalsContact CE1-CB 3.42Å; F743-A797 HydrophobicContact CZ-CB 3.42Å; F743-A797 VanDerWaalsContact CZ-CB 3.42Å; A797-F805 HydrophobicContact CB-CE2 3.75Å; A797-F805 HydrophobicContact CB-CZ 3.71Å |
| 798 | S | 68.8 | Low | 64.6 | Low | 53 Ų | 53 | 58.4 Ų | 58.4 | 37% | 0.371 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 114.4 | 177.8 | 177.9 | 0 | 0 | 0 | 0 | 109.8 | A735 N737 P800 | A735-S798 PolarHBondContact O-N 2.96Å; N737-S798 CarbonylContact C-O 3.55Å; N737-S798 PolarHBondContact N-O 3.18Å; S798-P800 WeakPolarHBondContact OG-CD 3.27Å |
| 799 | N | 71.1 | Confident | 65.2 | Low | 21 Ų | 21 | 63.1 Ų | 63.1 | 11% | 0.112 | 39% | 0.391 | C | S | . | . | trans | -138.1 | 69.8 | 168.8 | -170.6 | 1.3 | 0 | 0 | 0 | 111.4 | N737 G740 F743 V801 G802 F805 | N737-N799 WeakPolarHBondContact O-CA 3.36Å; N737-N799 VanDerWaalsContact O-CG 3.31Å; N737-N799 PolarHBondContact O-OD1 2.89Å; G740-N799 PolarHBondContact O-ND2 3.11Å; G740-N799 PolarHBondContact O-OD1 3.07Å; F743-N799 HydrophobicContact CB-CB 4.24Å; F743-N799 WeakPolarHBondContact CB-ND2 3.38Å; F743-N799 HydrophobicContact CD2-CB 4.46Å; F743-N799 HydrophobicContact CG-CB 4.26Å; N799-V801 PolarHBondContact O-N 2.87Å; N799-V801 VanDerWaalsContact O-N 3.15Å; N799-G802 VanDerWaalsContact OD1-CA 3.28Å; N799-G802 WeakPolarHBondContact OD1-CA 3.43Å; N799-G802 PolarHBondContact OD1-N 2.83Å; N799-F805 HydrophobicContact CB-CD2 3.66Å; N799-F805 HydrophobicContact CB-CE2 4.17Å | ||
| 800 | P | 65.4 | Low | 66.2 | Low | 94 Ų | 94 | 63.3 Ų | 63.3 | 61% | 0.61 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -19.5 | -177.6 | 15.5 | -32.6 | 0 | 0 | 0 | 116.7 | P738 S798 | P738-P800 HydrophobicContact CB-CG 3.9Å; S798-P800 WeakPolarHBondContact OG-CD 3.27Å |
| 801 | V | 64.7 | Low | 66.8 | Low | 108 Ų | 108 | 65.6 Ų | 65.6 | 66% | 0.655 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.6 | 2.8 | -169.9 | -155.6 | 0 | 0 | 0 | 0 | 113.5 | P738 N799 | P738-V801 VanDerWaalsContact O-CB 3.3Å; P738-V801 WeakPolarHBondContact O-CB 2.94Å; P738-V801 WeakPolarHBondContact O-CG2 3.34Å; P738-V801 PolarHBondContact O-N 2.89Å; N799-V801 PolarHBondContact O-N 2.87Å; N799-V801 VanDerWaalsContact O-N 3.15Å |
| 802 | G | 58.5 | Low | 67.1 | Low | 27 Ų | 27 | 65 Ų | 65 | 28% | 0.278 | 40% | 0.397 | S | S | . | . | trans | -84 | 151.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | G740 N799 | G740-G802 WeakPolarHBondContact O-CA 3.42Å; N799-G802 VanDerWaalsContact OD1-CA 3.28Å; N799-G802 WeakPolarHBondContact OD1-CA 3.43Å; N799-G802 PolarHBondContact OD1-N 2.83Å | ||
| 803 | S | 59.1 | Low | 67.4 | Low | 98 Ų | 98 | 64.9 Ų | 64.9 | 69% | 0.685 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -78.4 | -23.9 | -179.2 | 48.8 | 0 | 0 | 0 | 0 | 114.4 | S741 | S741-S803 PolarHBondContact O-N 3.25Å; S741-S803 PolarHBondContact O-OG 3.15Å |
| 804 | T | 62.8 | Low | 68 | Low | 62 Ų | 62 | 66.2 Ų | 66.2 | 38% | 0.38 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 118.4 | -177.2 | 16 | 0 | 0 | 0 | 0 | 110.2 | S741 F743 | S741-T804 PolarHBondContact O-N 3.15Å; S741-T804 PolarHBondContact O-OG1 3.1Å; F743-T804 PolarHBondContact N-O 3.42Å |
| 805 | F | 73.2 | Confident | 68.6 | Low | 93 Ų | 93 | 65.4 Ų | 65.4 | 41% | 0.408 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 110.7 | -179.1 | 177.2 | -93.6 | 0 | 0 | 0 | 109.4 | F743 A797 N799 Q807 | F743-F805 HydrophobicContact CB-CD2 4.31Å; F743-F805 AromaticContact CD1-CD2 3.41Å; F743-F805 HydrophobicContact CD1-CD2 3.41Å; F743-F805 VanDerWaalsContact CD1-CD2 3.41Å; F743-F805 AromaticContact CD1-CE2 3.51Å; F743-F805 HydrophobicContact CD1-CE2 3.51Å; F743-F805 HydrophobicContact CD1-CG 4.39Å; F743-F805 AromaticContact CE1-CD2 3.98Å; F743-F805 HydrophobicContact CE1-CD2 3.98Å; F743-F805 AromaticContact CE1-CE2 3.54Å; F743-F805 HydrophobicContact CE1-CE2 3.54Å; F743-F805 HydrophobicContact CE1-CZ 4.32Å; F743-F805 HydrophobicContact CG-CD2 4.04Å; F743-F805 HydrophobicContact CG-CE2 4.36Å; F743-F805 HydrophobicContact CZ-CE2 4.38Å; A797-F805 HydrophobicContact CB-CE2 3.75Å; A797-F805 HydrophobicContact CB-CZ 3.71Å; N799-F805 HydrophobicContact CB-CD2 3.66Å; N799-F805 HydrophobicContact CB-CE2 4.17Å; F805-Q807 HydrophobicContact CE1-CB 3.97Å; F805-Q807 HydrophobicContact CZ-CB 4.17Å |
| 806 | N | 70.1 | Confident | 68.9 | Low | 94 Ų | 94 | 66.3 Ų | 66.3 | 50% | 0.503 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 117.8 | 174.3 | -61.9 | -47.8 | 0 | 0 | 0 | 109.3 | F743 N744 Q745 | F743-N806 PolarHBondContact O-N 3.1Å; N744-N806 WeakPolarHBondContact CA-O 3.33Å; N744-N806 WeakPolarHBondContact OD1-CB 3.39Å; N744-N806 PolarHBondContact OD1-ND2 3.13Å; Q745-N806 PolarHBondContact N-O 3.33Å |
| 807 | Q | 70.5 | Confident | 68.7 | Low | 98 Ų | 98 | 66.7 Ų | 66.7 | 46% | 0.458 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 114.9 | 168.5 | -175.4 | 178.7 | 57.7 | 0 | 0 | 107.8 | Q745 F805 | Q745-Q807 CarbonylContact O-C 3.59Å; Q745-Q807 WeakPolarHBondContact O-CA 3.4Å; F805-Q807 HydrophobicContact CE1-CB 3.97Å; F805-Q807 HydrophobicContact CZ-CB 4.17Å |
| 808 | G | 65 | Low | 68.9 | Low | 36 Ų | 36 | 66.4 Ų | 66.4 | 37% | 0.371 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 129 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q745 F747 | Q745-G808 PolarHBondContact O-N 3.09Å; F747-G808 PolarHBondContact N-O 2.57Å |
| 809 | F | 69.2 | Low | 69.3 | Low | 115 Ų | 115 | 68.9 Ų | 68.9 | 50% | 0.504 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 117.8 | 171.9 | -176.4 | -85.3 | 0 | 0 | 0 | 108.4 | F747 V793 V795 | F747-F809 HydrophobicContact CB-CD2 4.04Å; F747-F809 AromaticContact CD1-CD2 3.43Å; F747-F809 HydrophobicContact CD1-CD2 3.43Å; F747-F809 VanDerWaalsContact CD1-CD2 3.43Å; F747-F809 AromaticContact CD1-CE2 3.26Å; F747-F809 HydrophobicContact CD1-CE2 3.26Å; F747-F809 HydrophobicContact CD1-CG 4.35Å; F747-F809 HydrophobicContact CD1-CZ 4.07Å; F747-F809 HydrophobicContact CE1-CD2 4.16Å; F747-F809 AromaticContact CE1-CE2 3.5Å; F747-F809 HydrophobicContact CE1-CE2 3.5Å; F747-F809 HydrophobicContact CE1-CZ 4.04Å; F747-F809 AromaticContact CG-CD2 3.94Å; F747-F809 HydrophobicContact CG-CD2 3.94Å; F747-F809 HydrophobicContact CG-CE2 4.06Å; F747-F809 HydrophobicContact CZ-CE2 4.45Å; F747-F809 CarbonylContact O-C 3.59Å; F747-F809 WeakPolarHBondContact O-CA 3.17Å; V793-F809 HydrophobicContact CG1-CE2 3.94Å; V795-F809 HydrophobicContact CG2-CD2 4.35Å; V795-F809 HydrophobicContact CG2-CE2 4.41Å |
| 810 | T | 70.5 | Confident | 69.4 | Low | 83 Ų | 83 | 69.4 Ų | 69.4 | 51% | 0.509 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 123.6 | 177.3 | -54.2 | 0 | 0 | 0 | 0 | 108.2 | F747 T748 Y749 | F747-T810 PolarHBondContact O-N 3.01Å; T748-T810 WeakPolarHBondContact CA-O 3.36Å; Y749-T810 PolarHBondContact N-O 3.26Å |
| 811 | Y | 69.6 | Low | 70.1 | Confident | 80 Ų | 80 | 66.9 Ų | 66.9 | 31% | 0.314 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 120.1 | 172.8 | 179.6 | -85.2 | 0 | 0 | 0 | 107.5 | Y749 L791 V813 I850 | Y749-Y811 AromaticContact CD1-CD2 3.43Å; Y749-Y811 HydrophobicContact CD1-CD2 3.43Å; Y749-Y811 VanDerWaalsContact CD1-CD2 3.43Å; Y749-Y811 AromaticContact CD1-CE2 3.29Å; Y749-Y811 HydrophobicContact CD1-CE2 3.29Å; Y749-Y811 HydrophobicContact CD1-CG 4.33Å; Y749-Y811 HydrophobicContact CE1-CD2 4.21Å; Y749-Y811 AromaticContact CE1-CE2 3.58Å; Y749-Y811 HydrophobicContact CE1-CE2 3.58Å; Y749-Y811 AromaticContact CG-CD2 3.88Å; Y749-Y811 HydrophobicContact CG-CD2 3.88Å; Y749-Y811 HydrophobicContact CG-CE2 4Å; Y749-Y811 WeakPolarHBondContact O-CA 3.45Å; L791-Y811 HydrophobicContact CD2-CE2 3.93Å; Y811-V813 HydrophobicContact CE1-CG2 3.95Å; Y811-I850 HydrophobicContact CE1-CD1 4.31Å; Y811-I850 WeakPolarHBondContact OH-CD1 3.25Å |
| 812 | G | 68.6 | Low | 70.5 | Confident | 27 Ų | 27 | 63.8 Ų | 63.8 | 28% | 0.278 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 133.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y749 G750 V751 | Y749-G812 PolarHBondContact O-N 2.9Å; G750-G812 WeakPolarHBondContact CA-O 3.39Å; V751-G812 PolarHBondContact N-O 3.2Å; V751-G812 VanDerWaalsContact N-O 3.07Å |
| 813 | V | 70.9 | Confident | 71.2 | Confident | 35 Ų | 35 | 67.1 Ų | 67.1 | 21% | 0.212 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 122.2 | 159.5 | 179.4 | 0 | 0 | 0 | 0 | 105 | V751 F784 Y811 | V751-V813 HydrophobicContact CB-CG2 4.45Å; V751-V813 CarbonylContact O-C 3.53Å; V751-V813 VanDerWaalsContact O-CA 3.29Å; V751-V813 WeakPolarHBondContact O-CA 3.41Å; F784-V813 HydrophobicContact CE1-CG1 4.06Å; F784-V813 HydrophobicContact CE2-CG1 4.17Å; F784-V813 HydrophobicContact CZ-CG1 3.47Å; F784-V813 VanDerWaalsContact CZ-CG1 3.47Å; Y811-V813 HydrophobicContact CE1-CG2 3.95Å |
| 814 | T | 77.3 | Confident | 71.8 | Confident | 72 Ų | 72 | 64.8 Ų | 64.8 | 44% | 0.442 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 128.9 | 177.7 | -44.4 | 0 | 0 | 0 | 0 | 106.8 | V751 T752 D753 T816 | V751-T814 PolarHBondContact O-N 2.87Å; T752-T814 WeakPolarHBondContact CA-O 3.07Å; D753-T814 PolarHBondContact N-O 3.35Å; T814-T816 HydrophobicContact CG2-CG2 4.5Å |
| 815 | D | 77.3 | Confident | 72.4 | Confident | 42 Ų | 42 | 66 Ų | 66 | 23% | 0.225 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 131.6 | 172.4 | 173.1 | 24.1 | 0 | 0 | 0 | 105 | F846 | D815-F846 HydrophobicContact CB-CD2 4Å; D815-F846 HydrophobicContact CB-CE2 4.04Å; D815-F846 WeakPolarHBondContact OD2-CD2 3.12Å |
| 816 | T | 74.3 | Confident | 72.3 | Confident | 60 Ų | 60 | 63.7 Ų | 63.7 | 37% | 0.368 | 38% | 0.375 | S | S | . | . | trans | -114.9 | 136.1 | -177.7 | 55.8 | 0 | 0 | 0 | 0 | 107.7 | T754 A755 T814 | T754-T816 VanDerWaalsContact CA-OG1 3.3Å; T754-T816 WeakPolarHBondContact CA-OG1 3.33Å; A755-T816 WeakPolarHBondContact CB-O 3.09Å; A755-T816 PolarHBondContact N-OG1 3.22Å; T814-T816 HydrophobicContact CG2-CG2 4.5Å | ||
| 817 | A | 68.4 | Low | 72.3 | Confident | 72 Ų | 72 | 63.1 Ų | 63.1 | 60% | 0.595 | 37% | 0.374 | S | S | * | . | P | Polyproline II helix | trans | -72 | 150.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A755 | A755-A817 VanDerWaalsContact CB-C 3.5Š|
| 818 | P | 72.7 | Confident | 72 | Confident | 24 Ų | 24 | 60 Ų | 60 | 16% | 0.156 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 136.7 | 176.5 | -20.8 | 28.3 | 0 | 0 | 0 | 112.8 | A755 D782 V820 | A755-P818 HydrophobicContact CB-CB 4.16Å; A755-P818 HydrophobicContact CB-CG 3.84Å; A755-P818 VanDerWaalsContact CB-N 3.33Å; D782-P818 HydrophobicContact CB-CG 3.67Å; P818-V820 HydrophobicContact CB-CG2 4.48Å |
| 819 | D | 75.3 | Confident | 71.9 | Confident | 106 Ų | 106 | 61.1 Ų | 61.1 | 57% | 0.567 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 129.9 | 168.5 | -161.4 | -8.3 | 0 | 0 | 0 | 109.4 | P756 V758 | P756-D819 PolarHBondContact O-N 2.96Å; V758-D819 PolarHBondContact N-O 3.3Å |
| 820 | V | 74.4 | Confident | 71.4 | Confident | 32 Ų | 32 | 59.7 Ų | 59.7 | 19% | 0.194 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 117.7 | -175.3 | -173 | 0 | 0 | 0 | 0 | 110.5 | V758 T778 T780 P818 T840 T842 | V758-V820 HydrophobicContact CB-CG1 4.44Å; V758-V820 HydrophobicContact CB-CG2 4.44Å; V758-V820 CarbonylContact O-C 3.53Å; V758-V820 WeakPolarHBondContact O-CA 3.38Å; T778-V820 HydrophobicContact CG2-CG1 3.71Å; T780-V820 HydrophobicContact CG2-CG1 4.39Å; T780-V820 HydrophobicContact CG2-CG2 3.53Å; T780-V820 WeakPolarHBondContact OG1-CG2 3.44Å; P818-V820 HydrophobicContact CB-CG2 4.48Å; V820-T840 HydrophobicContact CB-CG2 4.4Å; V820-T840 HydrophobicContact CG1-CG2 3.63Å; V820-T842 HydrophobicContact CB-CG2 4.15Å; V820-T842 HydrophobicContact CG2-CG2 3.63Å |
| 821 | S | 79.1 | Confident | 70.8 | Confident | 41 Ų | 41 | 58 Ų | 58 | 29% | 0.287 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 128 | 177.2 | 67.3 | 0 | 0 | 0 | 0 | 111.7 | V758 S759 T760 | V758-S821 PolarHBondContact O-N 3.3Å; S759-S821 WeakPolarHBondContact CA-O 3.25Å; S759-S821 WeakPolarHBondContact CB-OG 3.1Å; T760-S821 PolarHBondContact N-O 3.35Å |
| 822 | T | 73.4 | Confident | 70.3 | Confident | 42 Ų | 42 | 59.1 Ų | 59.1 | 26% | 0.258 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 108.8 | 176.2 | 57.5 | 0 | 0 | 0 | 0 | 109.7 | T760 T778 | T760-T822 CarbonylContact O-C 3.54Å; T760-T822 WeakPolarHBondContact O-CA 3.44Å; T778-T822 HydrophobicContact CG2-CG2 4.45Å; T778-T822 WeakPolarHBondContact OG1-CG2 3.12Å |
| 823 | N | 74.3 | Confident | 70.1 | Confident | 98 Ų | 98 | 62.3 Ų | 62.3 | 52% | 0.524 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 121.4 | 180 | -60.6 | -51.3 | 0 | 0 | 0 | 111.2 | T760 N761 S762 | T760-N823 PolarHBondContact O-N 3.21Å; N761-N823 CarbonylContact C-O 3.55Å; N761-N823 VanDerWaalsContact CA-O 3.3Å; N761-N823 WeakPolarHBondContact CA-O 3.12Å; N761-N823 WeakPolarHBondContact OD1-CB 3.4Å; N761-N823 PolarHBondContact OD1-ND2 3.36Å; S762-N823 PolarHBondContact N-O 2.88Å |
| 824 | S | 70.1 | Confident | 70.1 | Confident | 49 Ų | 49 | 65.6 Ų | 65.6 | 34% | 0.343 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 119.7 | 177.7 | -65.8 | 0 | 0 | 0 | 0 | 110.8 | S762 | S762-S824 CarbonylContact O-C 3.56Å; S762-S824 WeakPolarHBondContact O-CA 3.2Å |
| 825 | T | 75.6 | Confident | 69.8 | Low | 86 Ų | 86 | 65.6 Ų | 65.6 | 53% | 0.528 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 108.5 | 171 | -57.5 | 0 | 0 | 0 | 0 | 108.7 | S762 T763 I764 | S762-T825 PolarHBondContact O-N 2.93Å; T763-T825 WeakPolarHBondContact CA-O 3.32Å; I764-T825 PolarHBondContact N-O 3.23Å |
| 826 | I | 71.1 | Confident | 69.5 | Low | 46 Ų | 46 | 66.3 Ų | 66.3 | 24% | 0.236 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 121.9 | -177 | -58 | 172.3 | 0 | 0 | 0 | 109.5 | I764 F772 T774 F834 T836 | I764-I826 HydrophobicContact CB-CG1 4.45Å; I764-I826 CarbonylContact O-C 3.53Å; I764-I826 WeakPolarHBondContact O-CA 3.49Å; F772-I826 HydrophobicContact CE1-CD1 4.38Å; F772-I826 HydrophobicContact CE1-CG2 3.65Å; F772-I826 HydrophobicContact CE2-CG2 4.37Å; F772-I826 HydrophobicContact CZ-CG2 3.41Å; F772-I826 VanDerWaalsContact CZ-CG2 3.41Å; T774-I826 HydrophobicContact CG2-CD1 4.32Å; I826-F834 HydrophobicContact CG2-CE2 3.91Å; I826-F834 HydrophobicContact CG2-CZ 3.91Å; I826-T836 HydrophobicContact CD1-CG2 3.94Å |
| 827 | T | 69.8 | Low | 69.6 | Low | 81 Ų | 81 | 66.4 Ų | 66.4 | 50% | 0.497 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 104.8 | 170.8 | -57.2 | 0 | 0 | 0 | 0 | 108.8 | I764 T765 A766 | I764-T827 PolarHBondContact O-N 3.11Å; T765-T827 WeakPolarHBondContact CA-O 3.32Å; A766-T827 PolarHBondContact N-O 2.84Å |
| 828 | A | 64.3 | Low | 69.7 | Low | 32 Ų | 32 | 66.2 Ų | 66.2 | 26% | 0.264 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 135.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | A766 F772 T831 F834 | A766-A828 VanDerWaalsContact O-CA 3.3Å; A766-A828 WeakPolarHBondContact O-CA 3.46Å; F772-A828 HydrophobicContact CD2-CB 4.38Å; F772-A828 HydrophobicContact CE2-CB 4.48Å; A828-T831 HydrophobicContact CB-CG2 4.21Å; A828-F834 HydrophobicContact CB-CD2 4.06Å; A828-F834 HydrophobicContact CB-CE2 3.78Å |
| 829 | S | 63.8 | Low | 69.9 | Low | 60 Ų | 60 | 68 Ų | 68 | 42% | 0.42 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 137.5 | 177.3 | 53.6 | 0 | 0 | 0 | 0 | 112.2 | A766 S767 A768 | A766-S829 PolarHBondContact O-N 2.74Å; S767-S829 WeakPolarHBondContact CA-OG 2.94Å; S767-S829 WeakPolarHBondContact CB-OG 3.47Å; A768-S829 PolarHBondContact N-O 2.92Å |
| 830 | A | 59.5 | Low | 69.8 | Low | 85 Ų | 85 | 66 Ų | 66 | 70% | 0.702 | 40% | 0.404 | S | S | * | . | S | Bend | trans | 64.1 | 38.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | T769 | T769-A830 CarbonylContact O-C 3.51Š|
| 831 | T | 57.6 | Low | 69.9 | Low | 48 Ų | 48 | 67.4 Ų | 67.4 | 29% | 0.294 | 41% | 0.413 | S | S | . | . | trans | -87.5 | 135.4 | 177.6 | 43 | 0 | 0 | 0 | 0 | 116.1 | T769 F772 A828 | T769-T831 WeakPolarHBondContact O-CA 3.4Å; T769-T831 VanDerWaalsContact O-CG2 3.3Å; T769-T831 WeakPolarHBondContact O-CG2 3.05Å; F772-T831 HydrophobicContact CB-CG2 3.91Å; A828-T831 HydrophobicContact CB-CG2 4.21Å | ||
| 832 | T | 58.8 | Low | 69.5 | Low | 103 Ų | 103 | 69.4 Ų | 69.4 | 63% | 0.632 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -89.9 | -36.8 | 172.2 | 48.4 | 0 | 0 | 0 | 0 | 113.1 | T770 | T770-T832 PolarHBondContact O-N 2.73Å; T770-T832 VanDerWaalsContact O-N 3.11Å; T770-T832 PolarHBondContact O-OG1 2.91Å |
| 833 | N | 63.6 | Low | 69.3 | Low | 94 Ų | 94 | 70.9 Ų | 70.9 | 50% | 0.503 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 123.8 | 175.5 | -63.3 | -46.4 | 0 | 0 | 0 | 109.2 | T770 N771 F772 | T770-N833 PolarHBondContact O-N 3.4Å; N771-N833 WeakPolarHBondContact OD1-CB 3.35Å; N771-N833 PolarHBondContact OD1-ND2 2.82Å; F772-N833 PolarHBondContact N-O 3.32Å |
| 834 | F | 71.9 | Confident | 69 | Low | 104 Ų | 104 | 69.8 Ų | 69.8 | 46% | 0.456 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 117.1 | -177.9 | -176.8 | -85 | 0 | 0 | 0 | 109.3 | F772 I826 A828 T836 | F772-F834 HydrophobicContact CB-CD2 4.07Å; F772-F834 AromaticContact CD1-CD2 3.4Å; F772-F834 HydrophobicContact CD1-CD2 3.4Å; F772-F834 VanDerWaalsContact CD1-CD2 3.4Å; F772-F834 AromaticContact CD1-CE2 3.28Å; F772-F834 HydrophobicContact CD1-CE2 3.28Å; F772-F834 HydrophobicContact CD1-CG 4.24Å; F772-F834 HydrophobicContact CD1-CZ 4.04Å; F772-F834 HydrophobicContact CE1-CD2 4.04Å; F772-F834 AromaticContact CE1-CE2 3.4Å; F772-F834 HydrophobicContact CE1-CE2 3.4Å; F772-F834 AromaticContact CE1-CZ 3.89Å; F772-F834 HydrophobicContact CE1-CZ 3.89Å; F772-F834 AromaticContact CG-CD2 3.9Å; F772-F834 HydrophobicContact CG-CD2 3.9Å; F772-F834 HydrophobicContact CG-CE2 4.04Å; F772-F834 HydrophobicContact CZ-CE2 4.27Å; F772-F834 WeakPolarHBondContact O-CA 3.34Å; I826-F834 HydrophobicContact CG2-CE2 3.91Å; I826-F834 HydrophobicContact CG2-CZ 3.91Å; A828-F834 HydrophobicContact CB-CD2 4.06Å; A828-F834 HydrophobicContact CB-CE2 3.78Å; F834-T836 VanDerWaalsContact CE1-OG1 3.25Å; F834-T836 WeakPolarHBondContact CE1-OG1 3.43Å; F834-T836 WeakPolarHBondContact CZ-OG1 3.4Å |
| 835 | T | 71.1 | Confident | 68.5 | Low | 72 Ų | 72 | 68.9 Ų | 68.9 | 44% | 0.442 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 124.9 | -179.3 | -53.4 | 0 | 0 | 0 | 0 | 109.3 | F772 T773 T774 | F772-T835 PolarHBondContact O-N 3.34Å; T773-T835 CarbonylContact C-O 3.56Å; T773-T835 VanDerWaalsContact CA-O 3.3Å; T773-T835 WeakPolarHBondContact CA-O 3.31Å; T774-T835 PolarHBondContact N-O 3.28Å |
| 836 | T | 70.1 | Confident | 67.7 | Low | 58 Ų | 58 | 69.3 Ų | 69.3 | 36% | 0.356 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 125.9 | 173.9 | -59.3 | 0 | 0 | 0 | 0 | 107.9 | T774 I826 F834 | T774-T836 CarbonylContact O-C 3.58Å; T774-T836 WeakPolarHBondContact O-CA 3.43Å; T774-T836 WeakPolarHBondContact OG1-CA 3.26Å; T774-T836 WeakPolarHBondContact OG1-CB 3.46Å; T774-T836 WeakPolarHBondContact OG1-CG2 3.46Å; T774-T836 PolarHBondContact OG1-OG1 3.21Å; I826-T836 HydrophobicContact CD1-CG2 3.94Å; F834-T836 VanDerWaalsContact CE1-OG1 3.25Å; F834-T836 WeakPolarHBondContact CE1-OG1 3.43Å; F834-T836 WeakPolarHBondContact CZ-OG1 3.4Å |
| 837 | T | 76.1 | Confident | 66.8 | Low | 62 Ų | 62 | 72.4 Ų | 72.4 | 38% | 0.38 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 120.1 | 177.3 | -54.9 | 0 | 0 | 0 | 0 | 108.4 | T774 T775 T776 | T774-T837 PolarHBondContact O-N 2.83Å; T775-T837 CarbonylContact C-O 3.59Å; T775-T837 WeakPolarHBondContact CA-O 3.46Å; T776-T837 PolarHBondContact N-O 3.14Å |
| 838 | T | 71.6 | Confident | 65.9 | Low | 68 Ų | 68 | 71.8 Ų | 71.8 | 42% | 0.417 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 122.2 | 172.3 | -54.2 | 0 | 0 | 0 | 0 | 108.1 | T776 | T776-T838 CarbonylContact O-C 3.54Å; T776-T838 VanDerWaalsContact O-CA 3.31Å; T776-T838 WeakPolarHBondContact O-CA 3.5Å |
| 839 | T | 77.4 | Confident | 65 | Low | 60 Ų | 60 | 73.4 Ų | 73.4 | 37% | 0.368 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 115.4 | 177.7 | -54.2 | 0 | 0 | 0 | 0 | 108.1 | T776 T777 T778 | T776-T839 PolarHBondContact O-N 3.15Å; T777-T839 CarbonylContact C-O 3.6Å; T777-T839 WeakPolarHBondContact CA-O 3.45Å; T778-T839 PolarHBondContact N-O 2.83Å |
| 840 | T | 72.2 | Confident | 64 | Low | 64 Ų | 64 | 73 Ų | 73 | 39% | 0.393 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 121.2 | 172.7 | -49.8 | 0 | 0 | 0 | 0 | 108.2 | T778 V820 T842 | T778-T840 CarbonylContact O-C 3.58Å; T778-T840 VanDerWaalsContact O-CA 3.26Å; T778-T840 WeakPolarHBondContact O-CA 3.28Å; V820-T840 HydrophobicContact CB-CG2 4.4Å; V820-T840 HydrophobicContact CG1-CG2 3.63Å; T840-T842 HydrophobicContact CG2-CG2 4.32Å |
| 841 | T | 76.5 | Confident | 63.1 | Low | 62 Ų | 62 | 75.6 Ų | 75.6 | 38% | 0.38 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 114 | 178.1 | -48.4 | 0 | 0 | 0 | 0 | 108.5 | T778 T779 T780 | T778-T841 PolarHBondContact O-N 2.92Å; T779-T841 CarbonylContact C-O 3.59Å; T779-T841 VanDerWaalsContact CA-O 3.31Å; T779-T841 WeakPolarHBondContact CA-O 3.15Å; T780-T841 PolarHBondContact N-O 3.36Å |
| 842 | T | 69.9 | Low | 62 | Low | 83 Ų | 83 | 80.1 Ų | 80.1 | 51% | 0.509 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 125.2 | 176.5 | 59.3 | 0 | 0 | 0 | 0 | 108.7 | T780 V820 T840 | T780-T842 CarbonylContact O-C 3.55Å; T780-T842 WeakPolarHBondContact O-CA 3.47Å; T780-T842 WeakPolarHBondContact OG1-CG2 3.46Å; V820-T842 HydrophobicContact CB-CG2 4.15Å; V820-T842 HydrophobicContact CG2-CG2 3.63Å; T840-T842 HydrophobicContact CG2-CG2 4.32Å |
| 843 | T | 70.7 | Confident | 60.9 | Low | 74 Ų | 74 | 78.3 Ų | 78.3 | 45% | 0.454 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 112.7 | 176.2 | -41.2 | 0 | 0 | 0 | 0 | 108.5 | T780 T781 D782 | T780-T843 PolarHBondContact O-N 3.45Å; T781-T843 CarbonylContact C-O 3.6Å; T781-T843 WeakPolarHBondContact CA-O 3.47Å; D782-T843 PolarHBondContact N-O 3.44Å |
| 844 | D | 68.4 | Low | 59.4 | Low | 75 Ų | 75 | 80.4 Ų | 80.4 | 40% | 0.401 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 125.9 | 171.8 | 165.3 | 5.1 | 0 | 0 | 0 | 107.9 | D782 F846 | D782-D844 WeakPolarHBondContact O-CA 3.39Å; D844-F846 PolarHBondContact OD1-N 3.25Å |
| 845 | G | 59.1 | Low | 57.7 | Low | 29 Ų | 29 | 79.8 Ų | 79.8 | 30% | 0.299 | 45% | 0.452 | S | S | . | . | trans | -117.9 | 65.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | D782 F784 N847 | D782-G845 PolarHBondContact O-N 2.9Å; F784-G845 VanDerWaalsContact O-O 3.12Å; G845-N847 PolarHBondContact O-N 3.1Å | ||
| 846 | F | 58.3 | Low | 56.1 | Low | 96 Ų | 96 | 78.9 Ų | 78.9 | 42% | 0.421 | 46% | 0.457 | S | S | . | . | trans | -63.1 | 98.2 | 169.2 | -172.4 | -103.6 | 0 | 0 | 0 | 113.3 | F784 D815 D844 Q848 | F784-F846 HydrophobicContact CB-CD2 4.06Å; F784-F846 AromaticContact CD1-CD2 3.35Å; F784-F846 HydrophobicContact CD1-CD2 3.35Å; F784-F846 AromaticContact CD1-CE2 3.39Å; F784-F846 HydrophobicContact CD1-CE2 3.39Å; F784-F846 HydrophobicContact CD1-CG 4.39Å; F784-F846 HydrophobicContact CD1-CZ 4.44Å; F784-F846 HydrophobicContact CE1-CD2 4.03Å; F784-F846 AromaticContact CE1-CE2 3.56Å; F784-F846 HydrophobicContact CE1-CE2 3.56Å; F784-F846 HydrophobicContact CE1-CZ 4.36Å; F784-F846 AromaticContact CG-CD2 3.9Å; F784-F846 HydrophobicContact CG-CD2 3.9Å; F784-F846 HydrophobicContact CG-CE2 4.17Å; F784-F846 HydrophobicContact CZ-CE2 4.44Å; D815-F846 HydrophobicContact CB-CD2 4Å; D815-F846 HydrophobicContact CB-CE2 4.04Å; D815-F846 WeakPolarHBondContact OD2-CD2 3.12Å; D844-F846 PolarHBondContact OD1-N 3.25Å; F846-Q848 HydrophobicContact CD1-CB 4.17Å; F846-Q848 HydrophobicContact CE1-CB 3.45Å; F846-Q848 VanDerWaalsContact CE1-CB 3.45Å; F846-Q848 HydrophobicContact CE1-CG 4.41Å; F846-Q848 HydrophobicContact CE2-CB 4.19Å; F846-Q848 HydrophobicContact CZ-CB 3.49Å; F846-Q848 VanDerWaalsContact CZ-CB 3.49Å; F846-Q848 HydrophobicContact CZ-CG 4.08Å | ||
| 847 | N | 52.4 | Low | 55 | Low | 111 Ų | 111 | 78.9 Ų | 78.9 | 59% | 0.594 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 89.6 | 172.7 | -88.6 | -53.4 | 0 | 0 | 0 | 110.5 | F784 Q786 G845 | F784-N847 PolarHBondContact O-N 3.48Å; Q786-N847 PolarHBondContact N-O 3.18Å; G845-N847 PolarHBondContact O-N 3.1Å |
| 848 | Q | 51.5 | Low | 53.7 | Low | 68 Ų | 68 | 81.6 Ų | 81.6 | 32% | 0.318 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 112.7 | 174 | -165.4 | -167.3 | 70.1 | 0 | 0 | 110.6 | F846 I850 | F846-Q848 HydrophobicContact CD1-CB 4.17Å; F846-Q848 HydrophobicContact CE1-CB 3.45Å; F846-Q848 VanDerWaalsContact CE1-CB 3.45Å; F846-Q848 HydrophobicContact CE1-CG 4.41Å; F846-Q848 HydrophobicContact CE2-CB 4.19Å; F846-Q848 HydrophobicContact CZ-CB 3.49Å; F846-Q848 VanDerWaalsContact CZ-CB 3.49Å; F846-Q848 HydrophobicContact CZ-CG 4.08Å; Q848-I850 HydrophobicContact CG-CD1 3.98Å; Q848-I850 HydrophobicContact CG-CG1 3.78Å |
| 849 | S | 45.3 | Very low | 52.8 | Low | 65 Ų | 65 | 79.9 Ų | 79.9 | 46% | 0.455 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 79.9 | 172.4 | 45.5 | 0 | 0 | 0 | 0 | 109.8 | Q786 Q851 | Q786-S849 PolarHBondContact O-N 3.14Å; Q786-S849 PolarHBondContact O-OG 3.39Å; S849-Q851 PolarHBondContact O-N 2.94Å |
| 850 | I | 41.8 | Very low | 51.9 | Low | 52 Ų | 52 | 77.4 Ų | 77.4 | 27% | 0.267 | 44% | 0.437 | S | S | . | . | trans | -86.4 | 100.6 | 169.2 | -67.1 | 175.5 | 0 | 0 | 0 | 108.4 | Y811 Q848 L852 | Y811-I850 HydrophobicContact CE1-CD1 4.31Å; Y811-I850 WeakPolarHBondContact OH-CD1 3.25Å; Q848-I850 HydrophobicContact CG-CD1 3.98Å; Q848-I850 HydrophobicContact CG-CG1 3.78Å; I850-L852 VanDerWaalsContact C-N 3.26Å; I850-L852 HydrophobicContact CG2-CB 4.08Å; I850-L852 HydrophobicContact CG2-CD1 3.77Å; I850-L852 HydrophobicContact CG2-CG 3.51Å; I850-L852 PolarHBondContact O-N 2.74Å; I850-L852 VanDerWaalsContact O-N 3.11Å | ||
| 851 | Q | 41.2 | Very low | 51.2 | Low | 139 Ų | 139 | 82.5 Ų | 82.5 | 65% | 0.65 | 45% | 0.454 | S | S | * | . | trans | -76.6 | 88 | 152.6 | -82.1 | -159.9 | -15.2 | 0 | 0 | 108.4 | S849 L853 | S849-Q851 PolarHBondContact O-N 2.94Å; Q851-L853 HydrophobicContact CB-CD1 4.47Å; Q851-L853 PolarHBondContact O-N 3.35Å | ||
| 852 | L | 34.5 | Very low | 50.5 | Low | 144 Ų | 144 | 85.2 Ų | 85.2 | 75% | 0.754 | 47% | 0.465 | S | S | * | . | trans | -67.2 | 88.5 | 157.8 | -91.6 | 152.2 | 0 | 0 | 0 | 106 | I850 N854 | I850-L852 VanDerWaalsContact C-N 3.26Å; I850-L852 HydrophobicContact CG2-CB 4.08Å; I850-L852 HydrophobicContact CG2-CD1 3.77Å; I850-L852 HydrophobicContact CG2-CG 3.51Å; I850-L852 PolarHBondContact O-N 2.74Å; I850-L852 VanDerWaalsContact O-N 3.11Å; L852-N854 PolarHBondContact O-N 2.92Å | ||
| 853 | L | 35.1 | Very low | 50.4 | Low | 65 Ų | 65 | 82.4 Ų | 82.4 | 34% | 0.34 | 45% | 0.447 | S | S | . | . | trans | -64.7 | 95.5 | 153 | -101.2 | 90.9 | 0 | 0 | 0 | 105.9 | Q851 T855 E944 | Q851-L853 HydrophobicContact CB-CD1 4.47Å; Q851-L853 PolarHBondContact O-N 3.35Å; L853-T855 VanDerWaalsContact C-N 3.3Å; L853-T855 PolarHBondContact O-N 3.05Å; L853-E944 HydrophobicContact CD2-CB 4.22Å; L853-E944 HydrophobicContact CD2-CG 3.29Å | ||
| 854 | N | 33.2 | Very low | 50.5 | Low | 137 Ų | 137 | 83.5 Ų | 83.5 | 73% | 0.733 | 45% | 0.447 | S | S | * | . | trans | -55.5 | 103.9 | 162.5 | -171 | -3.1 | 0 | 0 | 0 | 106.2 | L852 G856 | L852-N854 PolarHBondContact O-N 2.92Å; N854-G856 PolarHBondContact O-N 3.2Å; N854-G856 PolarHBondContact OD1-N 2.94Å | ||
| 855 | T | 35.5 | Very low | 50.8 | Low | 91 Ų | 91 | 81.9 Ų | 81.9 | 56% | 0.558 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | 20.9 | -179 | 46.7 | 0 | 0 | 0 | 0 | 112.7 | L853 I857 | L853-T855 VanDerWaalsContact C-N 3.3Å; L853-T855 PolarHBondContact O-N 3.05Å; T855-I857 VanDerWaalsContact C-N 3.32Å |
| 856 | G | 38 | Very low | 51.7 | Low | 53 Ų | 53 | 81.9 Ų | 81.9 | 55% | 0.546 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -10.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115 | N854 | N854-G856 PolarHBondContact O-N 3.2Å; N854-G856 PolarHBondContact OD1-N 2.94Å |
| 857 | I | 46.3 | Very low | 52.5 | Low | 59 Ų | 59 | 81.6 Ų | 81.6 | 30% | 0.303 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -98.9 | 89.5 | 170.9 | -51.2 | 178.9 | 0 | 0 | 0 | 108.5 | T855 T859 L933 I935 | T855-I857 VanDerWaalsContact C-N 3.32Å; I857-T859 PolarHBondContact O-N 2.97Å; I857-T859 VanDerWaalsContact O-N 3.15Å; I857-L933 HydrophobicContact CG2-CB 4.47Å; I857-L933 HydrophobicContact CG2-CD2 4.04Å; I857-I935 HydrophobicContact CD1-CD1 3.91Å |
| 858 | H | 48.2 | Very low | 53.6 | Low | 119 Ų | 119 | 79.9 Ų | 79.9 | 55% | 0.551 | 43% | 0.426 | S | S | * | . | trans | -62.9 | 117.6 | 178.7 | -65.5 | -50 | 0 | 0 | 0 | 111 | ||||
| 859 | T | 54.3 | Low | 54.7 | Low | 32 Ų | 32 | 79.3 Ų | 79.3 | 20% | 0.196 | 43% | 0.427 | C | S | . | . | trans | -51 | 143.1 | 164.5 | 21.7 | 0 | 0 | 0 | 0 | 110.4 | I857 K861 E944 | I857-T859 PolarHBondContact O-N 2.97Å; I857-T859 VanDerWaalsContact O-N 3.15Å; T859-K861 WeakPolarHBondContact O-CG 3.48Å; T859-K861 PolarHBondContact O-N 3.46Å; T859-E944 HydrophobicContact CG2-CB 4.33Å; T859-E944 WeakPolarHBondContact CG2-O 3.47Å | ||
| 860 | P | 58.5 | Low | 56 | Low | 8 Ų | 8 | 78.7 Ų | 78.7 | 5% | 0.052 | 42% | 0.422 | C | S | . | . | trans | -55.8 | 106.5 | 173.6 | -21.4 | 31.6 | 0 | 0 | 0 | 109.7 | L862 I863 W877 Y892 M931 | P860-L862 PolarHBondContact O-N 3.02Å; P860-I863 HydrophobicContact CB-CD1 4.43Å; P860-I863 HydrophobicContact CB-CG1 4.03Å; P860-W877 HydrophobicContact CB-CB 4.23Å; P860-Y892 HydrophobicContact CG-CE1 4.22Å; P860-M931 HydrophobicContact CG-CE 4Å | ||
| 861 | K | 56 | Low | 57.8 | Low | 171 Ų | 171 | 79.4 Ų | 79.4 | 74% | 0.743 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | 0 | -174.8 | -69 | -172.2 | 177.7 | 177.6 | 0 | 113.7 | T859 | T859-K861 WeakPolarHBondContact O-CG 3.48Å; T859-K861 PolarHBondContact O-N 3.46Å |
| 862 | L | 62.1 | Low | 59.7 | Low | 119 Ų | 119 | 73.3 Ų | 73.3 | 62% | 0.623 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.7 | 51.5 | -171.5 | -72.9 | 165.6 | 0 | 0 | 0 | 111.6 | P860 P878 | P860-L862 PolarHBondContact O-N 3.02Å; L862-P878 HydrophobicContact CB-CG 4.05Å; L862-P878 WeakPolarHBondContact O-CD 3.45Å |
| 863 | I | 68.1 | Low | 61.9 | Low | 24 Ų | 24 | 66.5 Ų | 66.5 | 12% | 0.123 | 37% | 0.366 | C | S | . | . | trans | -75.7 | 125.7 | 173.4 | -58.5 | 164 | 0 | 0 | 0 | 108.3 | P860 I875 I876 W877 M931 S946 L949 | P860-I863 HydrophobicContact CB-CD1 4.43Å; P860-I863 HydrophobicContact CB-CG1 4.03Å; I863-I875 HydrophobicContact CG2-CG2 3.43Å; I863-I875 VanDerWaalsContact CG2-CG2 3.43Å; I863-I876 WeakPolarHBondContact CA-O 3.47Å; I863-W877 HydrophobicContact CG1-CB 4.29Å; I863-M931 HydrophobicContact CD1-CB 3.66Å; I863-M931 HydrophobicContact CD1-SD 4.48Å; I863-S946 WeakPolarHBondContact CD1-OG 3.48Å; I863-L949 HydrophobicContact CB-CD2 4.15Å; I863-L949 HydrophobicContact CG2-CD2 3.75Å; I863-L949 WeakPolarHBondContact O-CD2 3.25Å | ||
| 864 | Q | 73.3 | Confident | 64.1 | Low | 97 Ų | 97 | 64.3 Ų | 64.3 | 45% | 0.453 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 145.4 | 178.3 | -65.3 | -174.5 | -5.7 | 0 | 0 | 110.1 | I875 I876 | Q864-I875 CarbonylContact O-C 3.6Å; Q864-I875 WeakPolarHBondContact O-CA 3.39Å; Q864-I876 HydrophobicContact CB-CB 4.5Å; Q864-I876 PolarHBondContact N-O 2.7Å; Q864-I876 PolarHBondContact O-N 2.76Å |
| 865 | I | 74.8 | Confident | 66.5 | Low | 41 Ų | 41 | 57.8 Ų | 57.8 | 21% | 0.21 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 136.3 | 174.8 | -57.4 | 170.7 | 0 | 0 | 0 | 108.6 | I868 F873 V874 I929 L949 V951 | I865-I868 HydrophobicContact CG2-CD1 3.88Å; I865-I868 HydrophobicContact CG2-CG1 3.57Å; I865-F873 HydrophobicContact CG2-CB 3.8Å; I865-F873 HydrophobicContact CG2-CD2 4.02Å; I865-F873 HydrophobicContact CG2-CG 4.03Å; I865-V874 CarbonylContact C-O 3.6Å; I865-V874 WeakPolarHBondContact CA-O 3.3Å; I865-I929 HydrophobicContact CD1-CD1 3.35Å; I865-I929 HydrophobicContact CD1-CG1 4.47Å; I865-I929 HydrophobicContact CG1-CD1 4.01Å; I865-L949 HydrophobicContact CD1-CB 4.44Å; I865-L949 HydrophobicContact CD1-CD2 3.45Å; I865-L949 VanDerWaalsContact CD1-CD2 3.45Å; I865-L949 HydrophobicContact CD1-CG 3.67Å; I865-L949 HydrophobicContact CG1-CD2 3.49Å; I865-L949 VanDerWaalsContact CG1-CD2 3.49Å; I865-L949 HydrophobicContact CG1-CG 4.26Å; I865-V951 HydrophobicContact CD1-CB 3.58Å; I865-V951 HydrophobicContact CD1-CG1 4.1Å; I865-V951 HydrophobicContact CD1-CG2 4.19Å; I865-V951 HydrophobicContact CG2-CG2 4.05Å |
| 866 | S | 76.7 | Confident | 68.6 | Low | 28 Ų | 28 | 54.7 Ų | 54.7 | 20% | 0.196 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 167.1 | 178.7 | 61.1 | 0 | 0 | 0 | 0 | 109.8 | I868 V874 I876 | S866-I868 PolarHBondContact O-N 2.91Å; S866-V874 PolarHBondContact N-O 3.48Å; S866-V874 WeakPolarHBondContact O-CA 3.37Å; S866-V874 WeakPolarHBondContact O-CB 2.95Å; S866-V874 PolarHBondContact O-N 2.86Å; S866-V874 PolarHBondContact OG-O 3.3Å; S866-I876 WeakPolarHBondContact OG-CD1 3.36Å |
| 867 | N | 75 | Confident | 70.5 | Confident | 91 Ų | 91 | 52.4 Ų | 52.4 | 49% | 0.487 | 28% | 0.275 | S | S | . | . | trans | 51.6 | 44.5 | 177.2 | -71.8 | 9.8 | 0 | 0 | 0 | 115.3 | T869 F873 V874 | N867-T869 PolarHBondContact O-N 3.02Å; N867-F873 WeakPolarHBondContact O-CA 3.41Å; N867-V874 HydrophobicContact CB-CB 4.29Å; N867-V874 HydrophobicContact CB-CG2 3.83Å | ||
| 868 | I | 76.2 | Confident | 71.4 | Confident | 75 Ų | 75 | 52.7 Ų | 52.7 | 39% | 0.385 | 28% | 0.281 | S | S | . | . | trans | -73.1 | 122 | 177.8 | -52.7 | 160.1 | 0 | 0 | 0 | 110 | I865 S866 S872 F873 V951 | I865-I868 HydrophobicContact CG2-CD1 3.88Å; I865-I868 HydrophobicContact CG2-CG1 3.57Å; S866-I868 PolarHBondContact O-N 2.91Å; I868-S872 CarbonylContact C-O 3.59Å; I868-S872 WeakPolarHBondContact CA-O 3.08Å; I868-F873 HydrophobicContact CB-CB 4.23Å; I868-F873 HydrophobicContact CG1-CB 3.85Å; I868-F873 HydrophobicContact CG2-CB 4.39Å; I868-V951 HydrophobicContact CB-CG2 4.4Å; I868-V951 HydrophobicContact CD1-CG2 3.52Å; I868-V951 HydrophobicContact CG1-CG2 3.67Å; I868-V951 HydrophobicContact CG2-CG2 3.79Å | ||
| 869 | T | 74.3 | Confident | 72.1 | Confident | 56 Ų | 56 | 50.4 Ų | 50.4 | 34% | 0.344 | 28% | 0.275 | S | S | . | . | trans | -112.9 | 178.9 | 170.9 | 76.2 | 0 | 0 | 0 | 0 | 109.9 | N867 T871 S872 S954 | N867-T869 PolarHBondContact O-N 3.02Å; T869-T871 PolarHBondContact O-N 2.92Å; T869-T871 PolarHBondContact OG1-N 2.87Å; T869-S872 PolarHBondContact N-O 2.93Å; T869-S872 PolarHBondContact OG1-N 2.93Å; T869-S872 PolarHBondContact OG1-O 2.86Å; T869-S872 PolarHBondContact OG1-OG 3.12Å; T869-S954 PolarHBondContact O-N 3.46Å | ||
| 870 | S | 72.9 | Confident | 72.1 | Confident | 51 Ų | 51 | 51.3 Ų | 51.3 | 36% | 0.357 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -60.7 | -24.3 | 171.6 | 53 | 0 | 0 | 0 | 0 | 112.3 | A923 T953 | S870-A923 WeakPolarHBondContact O-CA 3.02Å; S870-A923 WeakPolarHBondContact O-CB 3.24Å; S870-A923 PolarHBondContact O-N 2.9Å; S870-T953 WeakPolarHBondContact O-CB 3.37Å |
| 871 | T | 78.8 | Confident | 71.6 | Confident | 68 Ų | 68 | 59.8 Ų | 59.8 | 42% | 0.417 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -131 | 6.8 | -173.6 | 61.8 | 0 | 0 | 0 | 0 | 115.4 | T869 E919 N920 L921 | T869-T871 PolarHBondContact O-N 2.92Å; T869-T871 PolarHBondContact OG1-N 2.87Å; T871-E919 CarbonylContact O-C 3.42Å; T871-N920 PolarHBondContact O-N 3.05Å; T871-L921 VanDerWaalsContact CA-O 3.3Å; T871-L921 WeakPolarHBondContact CA-O 3.41Å; T871-L921 WeakPolarHBondContact CB-O 3.44Å; T871-L921 WeakPolarHBondContact CG2-O 3.31Å; T871-L921 WeakPolarHBondContact O-CB 3.2Å; T871-L921 PolarHBondContact O-N 3.36Å |
| 872 | S | 81.1 | Confident | 71.2 | Confident | 11 Ų | 11 | 55.1 Ų | 55.1 | 8% | 0.077 | 30% | 0.303 | C | S | . | . | trans | -158.9 | 161 | -178 | 71.9 | 0 | 0 | 0 | 0 | 112.5 | I868 T869 I918 | I868-S872 CarbonylContact C-O 3.59Å; I868-S872 WeakPolarHBondContact CA-O 3.08Å; T869-S872 PolarHBondContact N-O 2.93Å; T869-S872 PolarHBondContact OG1-N 2.93Å; T869-S872 PolarHBondContact OG1-O 2.86Å; T869-S872 PolarHBondContact OG1-OG 3.12Å; S872-I918 CarbonylContact C-O 3.6Å; S872-I918 WeakPolarHBondContact CA-O 3.39Å; S872-I918 WeakPolarHBondContact CB-O 3.37Å | ||
| 873 | F | 81.8 | Confident | 69.9 | Low | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 164.3 | 165.3 | 54.9 | -105.5 | 0 | 0 | 0 | 111.1 | I865 N867 I868 I875 L896 I918 L921 I929 V951 T953 | I865-F873 HydrophobicContact CG2-CB 3.8Å; I865-F873 HydrophobicContact CG2-CD2 4.02Å; I865-F873 HydrophobicContact CG2-CG 4.03Å; N867-F873 WeakPolarHBondContact O-CA 3.41Å; I868-F873 HydrophobicContact CB-CB 4.23Å; I868-F873 HydrophobicContact CG1-CB 3.85Å; I868-F873 HydrophobicContact CG2-CB 4.39Å; F873-I875 HydrophobicContact CD2-CG1 3.85Å; F873-I875 HydrophobicContact CE2-CD1 3.86Å; F873-I875 HydrophobicContact CE2-CG1 3.66Å; F873-L896 HydrophobicContact CE1-CD2 4.11Å; F873-L896 HydrophobicContact CE2-CD1 4.27Å; F873-L896 HydrophobicContact CZ-CD1 3.81Å; F873-L896 HydrophobicContact CZ-CD2 3.68Å; F873-L896 HydrophobicContact CZ-CG 3.92Å; F873-I918 HydrophobicContact CD2-CB 4.16Å; F873-I918 HydrophobicContact CD2-CG1 4.29Å; F873-I918 HydrophobicContact CE2-CB 3.73Å; F873-I918 HydrophobicContact CE2-CG1 3.68Å; F873-I918 HydrophobicContact CE2-CG2 4.27Å; F873-I918 HydrophobicContact CZ-CB 4.17Å; F873-I918 HydrophobicContact CZ-CG1 4.38Å; F873-I918 HydrophobicContact CZ-CG2 4.21Å; F873-I918 PolarHBondContact N-O 2.9Å; F873-I918 PolarHBondContact O-N 2.87Å; F873-L921 HydrophobicContact CD1-CD1 3.33Å; F873-L921 HydrophobicContact CE1-CD1 3.04Å; F873-L921 HydrophobicContact CE1-CG 4.49Å; F873-L921 HydrophobicContact CG-CD1 4.35Å; F873-L921 HydrophobicContact CZ-CD1 3.84Å; F873-I929 HydrophobicContact CD2-CD1 3.84Å; F873-I929 HydrophobicContact CE1-CD1 4.13Å; F873-I929 HydrophobicContact CE1-CG1 4.45Å; F873-I929 HydrophobicContact CE2-CD1 3.06Å; F873-I929 HydrophobicContact CE2-CG1 3.9Å; F873-I929 HydrophobicContact CZ-CD1 3.2Å; F873-I929 HydrophobicContact CZ-CG1 3.55Å; F873-V951 HydrophobicContact CD1-CB 4.36Å; F873-V951 HydrophobicContact CD1-CG1 3.48Å; F873-V951 VanDerWaalsContact CD1-CG1 3.48Å; F873-V951 HydrophobicContact CD1-CG2 3.97Å; F873-V951 HydrophobicContact CE1-CB 4.39Å; F873-V951 HydrophobicContact CE1-CG1 3.14Å; F873-V951 HydrophobicContact CE1-CG2 4.48Å; F873-V951 HydrophobicContact CE2-CG1 4.36Å; F873-V951 HydrophobicContact CG-CG1 4.19Å; F873-V951 HydrophobicContact CG-CG2 4.31Å; F873-V951 HydrophobicContact CZ-CG1 3.65Å; F873-T953 HydrophobicContact CD1-CG2 4.44Å |
| 874 | V | 82.1 | Confident | 68.4 | Low | 19 Ų | 19 | 60.2 Ų | 60.2 | 12% | 0.115 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 128.7 | 177.5 | 176.9 | 0 | 0 | 0 | 0 | 110.1 | I865 S866 N867 I876 E916 K917 | I865-V874 CarbonylContact C-O 3.6Å; I865-V874 WeakPolarHBondContact CA-O 3.3Å; S866-V874 PolarHBondContact N-O 3.48Å; S866-V874 WeakPolarHBondContact O-CA 3.37Å; S866-V874 WeakPolarHBondContact O-CB 2.95Å; S866-V874 PolarHBondContact O-N 2.86Å; S866-V874 PolarHBondContact OG-O 3.3Å; N867-V874 HydrophobicContact CB-CB 4.29Å; N867-V874 HydrophobicContact CB-CG2 3.83Å; V874-I876 HydrophobicContact CG1-CG1 4.27Å; V874-E916 CarbonylContact C-O 3.59Å; V874-E916 WeakPolarHBondContact CA-O 3.43Å; V874-K917 HydrophobicContact CG2-CB 3.94Å; V874-K917 HydrophobicContact CG2-CD 4.3Å; V874-K917 HydrophobicContact CG2-CG 3.75Å |
| 875 | I | 82.3 | Confident | 66.5 | Low | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 138.5 | 177.1 | -47.6 | 166 | 0 | 0 | 0 | 108.9 | I863 Q864 F873 W877 I894 R915 E916 I918 I929 M931 | I863-I875 HydrophobicContact CG2-CG2 3.43Å; I863-I875 VanDerWaalsContact CG2-CG2 3.43Å; Q864-I875 CarbonylContact O-C 3.6Å; Q864-I875 WeakPolarHBondContact O-CA 3.39Å; F873-I875 HydrophobicContact CD2-CG1 3.85Å; F873-I875 HydrophobicContact CE2-CD1 3.86Å; F873-I875 HydrophobicContact CE2-CG1 3.66Å; I875-W877 HydrophobicContact CB-CE3 4.31Å; I875-W877 HydrophobicContact CB-CZ3 3.93Å; I875-W877 HydrophobicContact CG2-CE3 3.8Å; I875-W877 HydrophobicContact CG2-CZ3 3.87Å; I875-I894 HydrophobicContact CD1-CD1 3.8Å; I875-I894 HydrophobicContact CD1-CG2 3.63Å; I875-R915 CarbonylContact O-C 3.59Å; I875-R915 WeakPolarHBondContact O-CA 3.36Å; I875-E916 PolarHBondContact N-O 2.75Å; I875-E916 PolarHBondContact O-N 3Å; I875-I918 HydrophobicContact CD1-CD1 4.14Å; I875-I918 HydrophobicContact CD1-CG1 3.6Å; I875-I918 HydrophobicContact CG1-CG1 4.15Å; I875-I929 HydrophobicContact CD1-CD1 4.03Å; I875-I929 HydrophobicContact CD1-CG2 3.78Å; I875-I929 HydrophobicContact CG1-CD1 4Å; I875-M931 HydrophobicContact CG2-SD 4.24Å |
| 876 | I | 80.1 | Confident | 64.9 | Low | 27 Ų | 27 | 66.1 Ų | 66.1 | 14% | 0.138 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 137.9 | 179.9 | -52.6 | 174.3 | 0 | 0 | 0 | 108.8 | I863 Q864 S866 V874 F914 R915 | I863-I876 WeakPolarHBondContact CA-O 3.47Å; Q864-I876 HydrophobicContact CB-CB 4.5Å; Q864-I876 PolarHBondContact N-O 2.7Å; Q864-I876 PolarHBondContact O-N 2.76Å; S866-I876 WeakPolarHBondContact OG-CD1 3.36Å; V874-I876 HydrophobicContact CG1-CG1 4.27Å; I876-F914 CarbonylContact C-O 3.58Å; I876-F914 WeakPolarHBondContact CA-O 3.21Å; I876-F914 WeakPolarHBondContact CG2-O 3.34Å; I876-R915 HydrophobicContact CB-CB 4.35Å; I876-R915 HydrophobicContact CG1-CB 3.91Å; I876-R915 HydrophobicContact CG2-CB 4.33Å |
| 877 | W | 77.9 | Confident | 63.2 | Low | 4 Ų | 4 | 70.3 Ų | 70.3 | 2% | 0.015 | 40% | 0.401 | C | S | . | . | trans | -150.1 | 147.7 | 179.3 | 58.4 | 93.3 | 0 | 0 | 0 | 112.2 | P860 I863 I875 Y892 I894 I909 V913 F914 E916 M931 | P860-W877 HydrophobicContact CB-CB 4.23Å; I863-W877 HydrophobicContact CG1-CB 4.29Å; I875-W877 HydrophobicContact CB-CE3 4.31Å; I875-W877 HydrophobicContact CB-CZ3 3.93Å; I875-W877 HydrophobicContact CG2-CE3 3.8Å; I875-W877 HydrophobicContact CG2-CZ3 3.87Å; W877-Y892 AromaticContact CD1-CE1 3.68Å; W877-Y892 AromaticContact CD1-CZ 3.75Å; W877-Y892 HydrophobicContact CZ2-CD2 4.12Å; W877-Y892 HydrophobicContact CZ2-CG 4.19Å; W877-Y892 AromaticContact NE1-CD1 3.7Å; W877-Y892 AromaticContact NE1-CD2 3.64Å; W877-Y892 AromaticContact NE1-CE1 3.42Å; W877-Y892 AromaticContact NE1-CE2 3.39Å; W877-Y892 AromaticContact NE1-CG 3.8Å; W877-Y892 AromaticContact NE1-CZ 3.3Å; W877-Y892 VanDerWaalsContact NE1-CZ 3.3Å; W877-I894 HydrophobicContact CH2-CD1 4.02Å; W877-I894 HydrophobicContact CZ3-CD1 4.19Å; W877-I909 HydrophobicContact CH2-CD1 3.79Å; W877-I909 HydrophobicContact CH2-CG2 4.43Å; W877-I909 HydrophobicContact CZ2-CD1 4.23Å; W877-I909 HydrophobicContact CZ2-CG2 4.01Å; W877-V913 PolarHBondContact NE1-O 3.19Å; W877-F914 PolarHBondContact N-O 2.83Å; W877-F914 WeakPolarHBondContact O-CA 3.3Å; W877-F914 WeakPolarHBondContact O-CB 3.38Å; W877-F914 VanDerWaalsContact O-O 3.12Å; W877-E916 HydrophobicContact CH2-CB 3.66Å; W877-E916 HydrophobicContact CZ3-CB 3.95Å; W877-M931 HydrophobicContact CB-CE 4.11Å; W877-M931 HydrophobicContact CD2-CE 3.28Å; W877-M931 HydrophobicContact CD2-SD 3.56Å; W877-M931 VanDerWaalsContact CD2-SD 3.56Å; W877-M931 VanDerWaalsContact CE2-CE 3.41Å; W877-M931 HydrophobicContact CE3-CE 3.82Å; W877-M931 HydrophobicContact CE3-SD 3.37Å; W877-M931 HydrophobicContact CG-CE 3.42Å; W877-M931 VanDerWaalsContact CG-CE 3.42Å; W877-M931 HydrophobicContact CG-SD 4.14Å; W877-M931 HydrophobicContact CH2-CE 4.42Å; W877-M931 HydrophobicContact CH2-SD 4.04Å; W877-M931 HydrophobicContact CZ2-CE 4Å; W877-M931 HydrophobicContact CZ2-SD 4.23Å; W877-M931 HydrophobicContact CZ3-CE 4.35Å; W877-M931 HydrophobicContact CZ3-SD 3.64Å | ||
| 878 | P | 65.5 | Low | 61.8 | Low | 65 Ų | 65 | 75.9 Ų | 75.9 | 42% | 0.422 | 42% | 0.415 | S | S | . | . | trans | -71.9 | 142.6 | 178.4 | 25.4 | -30.3 | 0 | 0 | 0 | 113.1 | L862 V880 | L862-P878 HydrophobicContact CB-CG 4.05Å; L862-P878 WeakPolarHBondContact O-CD 3.45Å; P878-V880 PolarHBondContact O-N 2.65Å | ||
| 879 | V | 61.6 | Low | 60.6 | Low | 71 Ų | 71 | 73.5 Ų | 73.5 | 43% | 0.43 | 40% | 0.404 | S | S | . | . | trans | -68.3 | 125.3 | 178.5 | -176.8 | 0 | 0 | 0 | 0 | 110.6 | K881 F914 | V879-K881 PolarHBondContact O-N 2.86Å; V879-F914 HydrophobicContact CG2-CB 3.79Å | ||
| 880 | V | 55 | Low | 59.8 | Low | 51 Ų | 51 | 72.5 Ų | 72.5 | 31% | 0.309 | 40% | 0.399 | S | S | . | . | trans | -82.6 | 113.1 | 179.8 | -172.3 | 0 | 0 | 0 | 0 | 110.1 | P878 L933 | P878-V880 PolarHBondContact O-N 2.65Å; V880-L933 HydrophobicContact CB-CD1 4.38Å; V880-L933 HydrophobicContact CG2-CD1 4.07Å | ||
| 881 | K | 47.6 | Very low | 59.5 | Low | 187 Ų | 187 | 70.9 Ų | 70.9 | 81% | 0.813 | 39% | 0.387 | S | S | * | . | trans | -95.9 | 119.5 | 169.5 | -73.3 | -172.8 | 177.7 | -177 | 0 | 109.7 | V879 | V879-K881 PolarHBondContact O-N 2.86Š| ||
| 882 | T | 47.5 | Very low | 59.2 | Low | 73 Ų | 73 | 67.7 Ų | 67.7 | 45% | 0.448 | 37% | 0.368 | S | S | . | . | trans | -89.3 | 114.8 | 175.2 | 47 | 0 | 0 | 0 | 0 | 110.1 | V889 | T882-V889 HydrophobicContact CG2-CG2 4.42Š| ||
| 883 | N | 35.9 | Very low | 59.1 | Low | 162 Ų | 162 | 68 Ų | 68 | 87% | 0.866 | 37% | 0.368 | S | S | * | . | trans | -88.2 | 118.5 | 169 | -83.2 | -11.7 | 0 | 0 | 0 | 108.9 | ||||
| 884 | G | 35.5 | Very low | 58.8 | Low | 87 Ų | 87 | 68.1 Ų | 68.1 | 90% | 0.897 | 37% | 0.368 | S | S | * | . | S | Bend | trans | 100.3 | -1 | 153.9 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||
| 885 | S | 34.1 | Very low | 58.5 | Low | 69 Ų | 69 | 68.4 Ų | 68.4 | 48% | 0.483 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -134.9 | 140 | 171.9 | 56.7 | 0 | 0 | 0 | 0 | 110.9 | F887 | S885-F887 PolarHBondContact O-N 3.25Š|
| 886 | Q | 42.2 | Very low | 58.1 | Low | 193 Ų | 193 | 68.5 Ų | 68.5 | 90% | 0.902 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -55.9 | 18.7 | -166.6 | -71.6 | -179.9 | -24.2 | 0 | 0 | 118.4 | R888 | Q886-R888 PolarHBondContact O-N 2.86Š|
| 887 | F | 40.5 | Very low | 57.7 | Low | 116 Ų | 116 | 70.1 Ų | 70.1 | 51% | 0.509 | 38% | 0.379 | S | S | . | . | trans | -90.7 | 105.6 | -176.3 | -60.9 | -75.2 | 0 | 0 | 0 | 111.9 | S885 V889 I935 | S885-F887 PolarHBondContact O-N 3.25Å; F887-V889 PolarHBondContact O-N 2.87Å; F887-I935 HydrophobicContact CB-CD1 4.3Å | ||
| 888 | R | 44.6 | Very low | 57 | Low | 208 Ų | 208 | 70.5 Ų | 70.5 | 79% | 0.785 | 38% | 0.382 | S | S | * | . | trans | -76.1 | 104.2 | 166.9 | -82.3 | -169.1 | 177.6 | -155.2 | 1.4 | 109.7 | Q886 S890 | Q886-R888 PolarHBondContact O-N 2.86Å; R888-S890 PolarHBondContact O-N 3.48Å; R888-S890 PolarHBondContact O-OG 2.88Å | ||
| 889 | V | 51.1 | Low | 56.6 | Low | 26 Ų | 26 | 75.6 Ų | 75.6 | 16% | 0.158 | 40% | 0.4 | C | S | . | . | trans | -53.7 | 126.8 | 175.4 | 178 | 0 | 0 | 0 | 0 | 111.1 | T882 F887 S911 L933 | T882-V889 HydrophobicContact CG2-CG2 4.42Å; F887-V889 PolarHBondContact O-N 2.87Å; V889-S911 VanDerWaalsContact O-CB 3.31Å; V889-S911 WeakPolarHBondContact O-CB 3.49Å; V889-S911 PolarHBondContact O-OG 2.79Å; V889-S911 VanDerWaalsContact O-OG 3.13Å; V889-L933 HydrophobicContact CB-CD2 4.41Å; V889-L933 HydrophobicContact CG1-CD1 4.08Å; V889-L933 HydrophobicContact CG1-CD2 3.6Å; V889-L933 HydrophobicContact CG1-CG 3.95Å; V889-L933 HydrophobicContact CG2-CD2 4.14Å | ||
| 890 | S | 58.1 | Low | 56 | Low | 35 Ų | 35 | 77 Ų | 77 | 25% | 0.245 | 40% | 0.397 | C | S | . | . | trans | -106.2 | -43.9 | -167.4 | -45.8 | 0 | 0 | 0 | 0 | 115.4 | R888 V934 K936 | R888-S890 PolarHBondContact O-N 3.48Å; R888-S890 PolarHBondContact O-OG 2.88Å; S890-V934 PolarHBondContact N-O 2.78Å; S890-K936 PolarHBondContact OG-N 3.25Å | ||
| 891 | T | 66.9 | Low | 55.5 | Low | 17 Ų | 17 | 79.8 Ų | 79.8 | 10% | 0.104 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.6 | 154.2 | 179.9 | 37.7 | 0 | 0 | 0 | 0 | 113.1 | N908 I909 V934 | T891-N908 HydrophobicContact CG2-CB 4.42Å; T891-I909 CarbonylContact C-O 3.48Å; T891-I909 WeakPolarHBondContact CA-O 3.41Å; T891-V934 PolarHBondContact N-O 3.33Å; T891-V934 WeakPolarHBondContact O-CA 3.14Å; T891-V934 PolarHBondContact O-N 2.97Å; T891-V934 VanDerWaalsContact O-O 3.13Å |
| 892 | Y | 72.4 | Confident | 55.4 | Low | 1 Ų | 1 | 75.9 Ų | 75.9 | 0% | 0.004 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 144.2 | 166.7 | -59.7 | -90.9 | 0 | 0 | 0 | 111.1 | P860 W877 I909 M931 R932 L933 | P860-Y892 HydrophobicContact CG-CE1 4.22Å; W877-Y892 AromaticContact CD1-CE1 3.68Å; W877-Y892 AromaticContact CD1-CZ 3.75Å; W877-Y892 HydrophobicContact CZ2-CD2 4.12Å; W877-Y892 HydrophobicContact CZ2-CG 4.19Å; W877-Y892 AromaticContact NE1-CD1 3.7Å; W877-Y892 AromaticContact NE1-CD2 3.64Å; W877-Y892 AromaticContact NE1-CE1 3.42Å; W877-Y892 AromaticContact NE1-CE2 3.39Å; W877-Y892 AromaticContact NE1-CG 3.8Å; W877-Y892 AromaticContact NE1-CZ 3.3Å; W877-Y892 VanDerWaalsContact NE1-CZ 3.3Å; Y892-I909 HydrophobicContact CD2-CG2 4.48Å; Y892-I909 PolarHBondContact N-O 2.81Å; Y892-I909 PolarHBondContact O-N 3.43Å; Y892-I909 VanDerWaalsContact O-N 3.1Å; Y892-M931 HydrophobicContact CD1-CE 3.48Å; Y892-M931 VanDerWaalsContact CD1-CE 3.48Å; Y892-M931 HydrophobicContact CE1-CE 4.04Å; Y892-M931 HydrophobicContact CG-CE 4.09Å; Y892-R932 WeakPolarHBondContact CA-O 3.04Å; Y892-L933 HydrophobicContact CD1-CD1 4.07Å; Y892-L933 HydrophobicContact CD1-CG 4.48Å; Y892-L933 HydrophobicContact CE1-CD1 3.5Å; Y892-L933 VanDerWaalsContact CE1-CD1 3.5Å; Y892-L933 HydrophobicContact CE1-CG 4.35Å |
| 893 | E | 77.7 | Confident | 55.4 | Low | 18 Ų | 18 | 76.3 Ų | 76.3 | 8% | 0.084 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 140.9 | 168.8 | -78.2 | -175.3 | 162.7 | 0 | 0 | 110.6 | I906 M931 R932 V934 W945 | E893-I906 HydrophobicContact CG-CG2 3.93Å; E893-M931 WeakPolarHBondContact O-CA 3.26Å; E893-R932 HydrophobicContact CB-CG 3.96Å; E893-R932 PolarHBondContact N-O 3.19Å; E893-R932 PolarHBondContact O-N 2.98Å; E893-R932 IonicContact OE2-CZ 3.51Å; E893-R932 IonicContact OE2-NE 3.59Å; E893-R932 PolarHBondContact OE2-NE 2.6Å; E893-R932 IonicContact OE2-NH2 2.7Å; E893-R932 PolarHBondContact OE2-NH2 2.91Å; E893-V934 HydrophobicContact CB-CG2 4.05Å; E893-V934 HydrophobicContact CG-CG2 3.54Å; E893-W945 HydrophobicContact CB-CH2 4.29Å |
| 894 | I | 77.2 | Confident | 56.1 | Low | 2 Ų | 2 | 74.1 Ų | 74.1 | 1% | 0.01 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 126.2 | -179.9 | -47.7 | -166.6 | 0 | 0 | 0 | 108.5 | I875 W877 L896 I909 E916 I918 I929 Q930 M931 | I875-I894 HydrophobicContact CD1-CD1 3.8Å; I875-I894 HydrophobicContact CD1-CG2 3.63Å; W877-I894 HydrophobicContact CH2-CD1 4.02Å; W877-I894 HydrophobicContact CZ3-CD1 4.19Å; I894-L896 HydrophobicContact CG2-CD1 4.02Å; I894-I909 HydrophobicContact CD1-CD1 3.49Å; I894-I909 VanDerWaalsContact CD1-CD1 3.49Å; I894-I909 HydrophobicContact CG1-CD1 3.97Å; I894-E916 HydrophobicContact CD1-CB 4.26Å; I894-E916 HydrophobicContact CD1-CG 4.34Å; I894-I918 HydrophobicContact CD1-CD1 4.39Å; I894-I929 HydrophobicContact CG2-CG2 3.84Å; I894-Q930 CarbonylContact C-O 3.6Å; I894-Q930 WeakPolarHBondContact CA-O 3.38Å; I894-M931 HydrophobicContact CB-CG 4.34Å; I894-M931 HydrophobicContact CD1-CG 4.25Å; I894-M931 HydrophobicContact CD1-SD 4.27Å; I894-M931 HydrophobicContact CG1-CG 3.71Å; I894-M931 HydrophobicContact CG1-SD 4.34Å; I894-M931 HydrophobicContact CG2-CG 4.45Å |
| 895 | L | 75.8 | Confident | 56.9 | Low | 24 Ų | 24 | 73.5 Ų | 73.5 | 13% | 0.126 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 126.2 | 171.3 | 173.7 | 68.4 | 0 | 0 | 0 | 108.3 | L904 I929 Q930 W945 | L895-L904 HydrophobicContact CD1-CD1 3.46Å; L895-L904 VanDerWaalsContact CD1-CD1 3.46Å; L895-I929 CarbonylContact O-C 3.59Å; L895-I929 VanDerWaalsContact O-CA 3.28Å; L895-I929 WeakPolarHBondContact O-CA 3.37Å; L895-Q930 HydrophobicContact CB-CB 4.25Å; L895-Q930 HydrophobicContact CD2-CB 4.37Å; L895-Q930 PolarHBondContact N-O 3.02Å; L895-Q930 PolarHBondContact O-N 3.12Å; L895-W945 HydrophobicContact CB-CD2 4.3Å; L895-W945 HydrophobicContact CB-CE3 3.87Å; L895-W945 HydrophobicContact CB-CH2 3.36Å; L895-W945 HydrophobicContact CB-CZ2 3.8Å; L895-W945 HydrophobicContact CB-CZ3 3.38Å; L895-W945 HydrophobicContact CD2-CD2 4.25Å; L895-W945 HydrophobicContact CD2-CZ2 4.19Å; L895-W945 HydrophobicContact CG-CH2 4.48Å; L895-W945 HydrophobicContact CG-CZ2 4.5Å |
| 896 | L | 72.5 | Confident | 57.8 | Low | 3 Ų | 3 | 74.3 Ų | 74.3 | 2% | 0.016 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 127.4 | 166.8 | -108.5 | 84.3 | 0 | 0 | 0 | 108.5 | F873 I894 L903 I918 L921 Y927 I929 | F873-L896 HydrophobicContact CE1-CD2 4.11Å; F873-L896 HydrophobicContact CE2-CD1 4.27Å; F873-L896 HydrophobicContact CZ-CD1 3.81Å; F873-L896 HydrophobicContact CZ-CD2 3.68Å; F873-L896 HydrophobicContact CZ-CG 3.92Å; I894-L896 HydrophobicContact CG2-CD1 4.02Å; L896-L903 CarbonylContact O-C 3.6Å; L896-I918 HydrophobicContact CD1-CD1 4.41Å; L896-I918 HydrophobicContact CD1-CG1 4.14Å; L896-I918 HydrophobicContact CD1-CG2 3.86Å; L896-I918 HydrophobicContact CD2-CG2 3.65Å; L896-I918 HydrophobicContact CG-CG2 4.41Å; L896-L921 HydrophobicContact CD2-CD1 3.98Å; L896-L921 HydrophobicContact CD2-CD2 3.21Å; L896-L921 HydrophobicContact CD2-CG 4.24Å; L896-Y927 HydrophobicContact CB-CD1 4.31Å; L896-Y927 HydrophobicContact CD2-CD1 3.64Å; L896-Y927 HydrophobicContact CD2-CE1 4Å; L896-Y927 HydrophobicContact CD2-CG 4.16Å; L896-Y927 HydrophobicContact CG-CD1 4.15Å; L896-I929 HydrophobicContact CD1-CG1 4.17Å; L896-I929 HydrophobicContact CD1-CG2 4.38Å; L896-I929 HydrophobicContact CG-CG1 4.33Å |
| 897 | N | 71.4 | Confident | 58.4 | Low | 61 Ų | 61 | 69.2 Ų | 69.2 | 33% | 0.326 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 138.5 | 177.4 | -138.7 | 1.4 | 0 | 0 | 0 | 109.8 | Y927 T928 | N897-Y927 CarbonylContact O-C 3.45Å; N897-Y927 VanDerWaalsContact O-CA 3.23Å; N897-Y927 WeakPolarHBondContact O-CA 3.38Å; N897-T928 PolarHBondContact N-O 3.39Å; N897-T928 PolarHBondContact O-N 3.14Å |
| 898 | S | 64.4 | Low | 59.4 | Low | 11 Ų | 11 | 67.9 Ų | 67.9 | 8% | 0.077 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 149.7 | 179 | 127.5 | 0 | 0 | 0 | 0 | 109 | R900 Q901 T925 | S898-R900 PolarHBondContact O-N 3.43Å; S898-R900 PolarHBondContact OG-N 2.89Å; S898-Q901 VanDerWaalsContact CB-O 3.28Å; S898-Q901 WeakPolarHBondContact CB-O 3.42Å; S898-Q901 PolarHBondContact N-O 3.05Å; S898-Q901 PolarHBondContact OG-N 2.92Å; S898-Q901 VanDerWaalsContact OG-N 3.1Å; S898-Q901 PolarHBondContact OG-O 2.77Å; S898-T925 WeakPolarHBondContact OG-CG2 3.5Å |
| 899 | Q | 56.9 | Low | 60.3 | Low | 173 Ų | 173 | 58.4 Ų | 58.4 | 81% | 0.808 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -63.6 | -7.8 | 175.5 | -69.6 | -158.3 | -26.7 | 0 | 0 | 113.9 | ||
| 900 | R | 48.9 | Very low | 60.9 | Low | 100 Ų | 100 | 60 Ų | 60 | 38% | 0.377 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -115.4 | -27.8 | -174.9 | -67.2 | 170.3 | 168.2 | -69.2 | -57.6 | 113.8 | S898 S985 A986 | S898-R900 PolarHBondContact O-N 3.43Å; S898-R900 PolarHBondContact OG-N 2.89Å; R900-S985 VanDerWaalsContact NH1-C 3.31Å; R900-S985 PolarHBondContact NH1-OG 3.37Å; R900-S985 PolarHBondContact NH2-O 3.39Å; R900-A986 VanDerWaalsContact NH1-CA 3.25Å |
| 901 | Q | 45.4 | Very low | 61 | Low | 110 Ų | 110 | 60.1 Ų | 60.1 | 51% | 0.514 | 32% | 0.315 | S | S | . | . | trans | -154.1 | 129.2 | -178.4 | -89.5 | 179.8 | -21.3 | 0 | 0 | 109.9 | S898 L903 | S898-Q901 VanDerWaalsContact CB-O 3.28Å; S898-Q901 WeakPolarHBondContact CB-O 3.42Å; S898-Q901 PolarHBondContact N-O 3.05Å; S898-Q901 PolarHBondContact OG-N 2.92Å; S898-Q901 VanDerWaalsContact OG-N 3.1Å; S898-Q901 PolarHBondContact OG-O 2.77Å; Q901-L903 PolarHBondContact O-N 3.14Å | ||
| 902 | S | 45.4 | Very low | 60.7 | Low | 105 Ų | 105 | 67.1 Ų | 67.1 | 73% | 0.734 | 35% | 0.347 | S | S | * | . | trans | -85.3 | 95.1 | 171.6 | -36.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 903 | L | 46.2 | Very low | 60.4 | Low | 82 Ų | 82 | 69.5 Ų | 69.5 | 43% | 0.429 | 36% | 0.361 | S | S | . | . | trans | -104.4 | 96 | 179.6 | -104.7 | 153.4 | 0 | 0 | 0 | 110 | L896 Q901 L905 | L896-L903 CarbonylContact O-C 3.6Å; Q901-L903 PolarHBondContact O-N 3.14Å; L903-L905 VanDerWaalsContact C-N 3.34Å; L903-L905 PolarHBondContact O-N 2.9Å | ||
| 904 | L | 52 | Low | 60.3 | Low | 116 Ų | 116 | 73.4 Ų | 73.4 | 61% | 0.607 | 38% | 0.378 | S | S | * | . | trans | -72.1 | 83.8 | 175.4 | -164.9 | 84.4 | 0 | 0 | 0 | 110.6 | L895 I906 | L895-L904 HydrophobicContact CD1-CD1 3.46Å; L895-L904 VanDerWaalsContact CD1-CD1 3.46Å; L904-I906 HydrophobicContact CD2-CD1 3.66Å; L904-I906 HydrophobicContact CD2-CG1 3.84Å; L904-I906 HydrophobicContact CG-CD1 4.19Å; L904-I906 HydrophobicContact CG-CG1 3.8Å; L904-I906 PolarHBondContact O-N 3.18Å | ||
| 905 | L | 50.6 | Low | 60.5 | Low | 74 Ų | 74 | 78.6 Ų | 78.6 | 39% | 0.387 | 40% | 0.397 | S | S | . | . | trans | -87.9 | 79.1 | 173.6 | -163.3 | 84.7 | 0 | 0 | 0 | 110.7 | L903 K907 I918 | L903-L905 VanDerWaalsContact C-N 3.34Å; L903-L905 PolarHBondContact O-N 2.9Å; L905-K907 PolarHBondContact O-N 2.81Å; L905-I918 HydrophobicContact CD2-CD1 4.33Å; L905-I918 HydrophobicContact CD2-CG2 4.22Å | ||
| 906 | I | 54.3 | Low | 60.8 | Low | 86 Ų | 86 | 79.4 Ų | 79.4 | 44% | 0.441 | 40% | 0.401 | S | S | . | . | trans | -71.1 | 102.2 | 174.9 | -53.7 | -177.8 | 0 | 0 | 0 | 109.3 | E893 L904 | E893-I906 HydrophobicContact CG-CG2 3.93Å; L904-I906 HydrophobicContact CD2-CD1 3.66Å; L904-I906 HydrophobicContact CD2-CG1 3.84Å; L904-I906 HydrophobicContact CG-CD1 4.19Å; L904-I906 HydrophobicContact CG-CG1 3.8Å; L904-I906 PolarHBondContact O-N 3.18Å | ||
| 907 | K | 55.2 | Low | 61.3 | Low | 85 Ų | 85 | 83.8 Ų | 83.8 | 37% | 0.37 | 42% | 0.419 | S | S | . | . | trans | -101.2 | 110.3 | 169.5 | -135.5 | 175.4 | -172.2 | -179.5 | 0 | 108.4 | L905 I909 E916 K917 | L905-K907 PolarHBondContact O-N 2.81Å; K907-I909 HydrophobicContact CB-CD1 4.32Å; K907-I909 HydrophobicContact CB-CG1 4.33Å; K907-I909 PolarHBondContact O-N 2.88Å; K907-E916 HydrophobicContact CD-CG 3.96Å; K907-E916 WeakPolarHBondContact CD-OE1 3.49Å; K907-E916 VanDerWaalsContact CE-OE1 3.26Å; K907-E916 WeakPolarHBondContact CE-OE1 2.91Å; K907-E916 IonicContact NZ-OE1 2.73Å; K907-E916 PolarHBondContact NZ-OE1 2.78Å; K907-K917 PolarHBondContact NZ-O 2.78Å | ||
| 908 | N | 61 | Low | 61.7 | Low | 89 Ų | 89 | 80.9 Ų | 80.9 | 48% | 0.476 | 40% | 0.404 | S | S | . | . | trans | -78.3 | 107.4 | 176.5 | -84.1 | -36.9 | 0 | 0 | 0 | 109.9 | T891 | T891-N908 HydrophobicContact CG2-CB 4.42Š| ||
| 909 | I | 63.3 | Low | 62.4 | Low | 9 Ų | 9 | 85.2 Ų | 85.2 | 5% | 0.046 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 128.5 | -171.6 | -62 | 161.3 | 0 | 0 | 0 | 109.3 | W877 T891 Y892 I894 K907 V913 E916 | W877-I909 HydrophobicContact CH2-CD1 3.79Å; W877-I909 HydrophobicContact CH2-CG2 4.43Å; W877-I909 HydrophobicContact CZ2-CD1 4.23Å; W877-I909 HydrophobicContact CZ2-CG2 4.01Å; T891-I909 CarbonylContact C-O 3.48Å; T891-I909 WeakPolarHBondContact CA-O 3.41Å; Y892-I909 HydrophobicContact CD2-CG2 4.48Å; Y892-I909 PolarHBondContact N-O 2.81Å; Y892-I909 PolarHBondContact O-N 3.43Å; Y892-I909 VanDerWaalsContact O-N 3.1Å; I894-I909 HydrophobicContact CD1-CD1 3.49Å; I894-I909 VanDerWaalsContact CD1-CD1 3.49Å; I894-I909 HydrophobicContact CG1-CD1 3.97Å; K907-I909 HydrophobicContact CB-CD1 4.32Å; K907-I909 HydrophobicContact CB-CG1 4.33Å; K907-I909 PolarHBondContact O-N 2.88Å; I909-V913 HydrophobicContact CG2-CB 3.48Å; I909-V913 VanDerWaalsContact CG2-CB 3.48Å; I909-V913 HydrophobicContact CG2-CG1 3.56Å; I909-V913 HydrophobicContact CG2-CG2 4.21Å; I909-E916 HydrophobicContact CD1-CB 3.78Å; I909-E916 HydrophobicContact CD1-CG 3.58Å; I909-E916 HydrophobicContact CG1-CG 4.41Å |
| 910 | S | 64.1 | Low | 63.2 | Low | 60 Ų | 60 | 84.2 Ų | 84.2 | 42% | 0.42 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.6 | 146.3 | -180 | 167.2 | 0 | 0 | 0 | 0 | 112 | E912 V913 | S910-E912 PolarHBondContact O-N 2.98Å; S910-E912 PolarHBondContact OG-N 3.08Å; S910-V913 PolarHBondContact O-N 2.91Å |
| 911 | S | 59 | Low | 64.4 | Low | 37 Ų | 37 | 80.2 Ų | 80.2 | 26% | 0.259 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -14.3 | -179 | 55 | 0 | 0 | 0 | 0 | 114.6 | V889 | V889-S911 VanDerWaalsContact O-CB 3.31Å; V889-S911 WeakPolarHBondContact O-CB 3.49Å; V889-S911 PolarHBondContact O-OG 2.79Å; V889-S911 VanDerWaalsContact O-OG 3.13Å |
| 912 | E | 61.8 | Low | 65.3 | Low | 164 Ų | 164 | 77.6 Ų | 77.6 | 77% | 0.766 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -11.9 | 175 | -60.4 | -169.8 | 171.6 | 0 | 0 | 114.2 | S910 | S910-E912 PolarHBondContact O-N 2.98Å; S910-E912 PolarHBondContact OG-N 3.08Å |
| 913 | V | 64.7 | Low | 66 | Low | 51 Ų | 51 | 73.5 Ų | 73.5 | 31% | 0.309 | 37% | 0.374 | S | S | . | . | trans | -91.8 | 132.3 | -175.2 | 179.1 | 0 | 0 | 0 | 0 | 110.4 | W877 I909 S910 R915 | W877-V913 PolarHBondContact NE1-O 3.19Å; I909-V913 HydrophobicContact CG2-CB 3.48Å; I909-V913 VanDerWaalsContact CG2-CB 3.48Å; I909-V913 HydrophobicContact CG2-CG1 3.56Å; I909-V913 HydrophobicContact CG2-CG2 4.21Å; S910-V913 PolarHBondContact O-N 2.91Å; V913-R915 VanDerWaalsContact CG1-O 3.28Å; V913-R915 WeakPolarHBondContact CG1-O 3.21Å | ||
| 914 | F | 76.3 | Confident | 66.9 | Low | 100 Ų | 100 | 70.7 Ų | 70.7 | 44% | 0.439 | 36% | 0.36 | S | S | . | . | trans | -119.1 | 6.9 | -174.4 | 66.9 | -92.4 | 0 | 0 | 0 | 113.7 | I876 W877 V879 | I876-F914 CarbonylContact C-O 3.58Å; I876-F914 WeakPolarHBondContact CA-O 3.21Å; I876-F914 WeakPolarHBondContact CG2-O 3.34Å; W877-F914 PolarHBondContact N-O 2.83Å; W877-F914 WeakPolarHBondContact O-CA 3.3Å; W877-F914 WeakPolarHBondContact O-CB 3.38Å; W877-F914 VanDerWaalsContact O-O 3.12Å; V879-F914 HydrophobicContact CG2-CB 3.79Å | ||
| 915 | R | 81 | Confident | 67.4 | Low | 110 Ų | 110 | 65.3 Ų | 65.3 | 42% | 0.415 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 148.5 | 174.3 | 70.7 | 177.4 | -164.2 | -114 | -6.4 | 112.7 | I875 I876 V913 | I875-R915 CarbonylContact O-C 3.59Å; I875-R915 WeakPolarHBondContact O-CA 3.36Å; I876-R915 HydrophobicContact CB-CB 4.35Å; I876-R915 HydrophobicContact CG1-CB 3.91Å; I876-R915 HydrophobicContact CG2-CB 4.33Å; V913-R915 VanDerWaalsContact CG1-O 3.28Å; V913-R915 WeakPolarHBondContact CG1-O 3.21Å |
| 916 | E | 82.1 | Confident | 68.4 | Low | 42 Ų | 42 | 64.1 Ų | 64.1 | 20% | 0.196 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 144.3 | -179.4 | -172.8 | 59 | -136.7 | 0 | 0 | 113 | V874 I875 W877 I894 K907 I909 I918 | V874-E916 CarbonylContact C-O 3.59Å; V874-E916 WeakPolarHBondContact CA-O 3.43Å; I875-E916 PolarHBondContact N-O 2.75Å; I875-E916 PolarHBondContact O-N 3Å; W877-E916 HydrophobicContact CH2-CB 3.66Å; W877-E916 HydrophobicContact CZ3-CB 3.95Å; I894-E916 HydrophobicContact CD1-CB 4.26Å; I894-E916 HydrophobicContact CD1-CG 4.34Å; K907-E916 HydrophobicContact CD-CG 3.96Å; K907-E916 WeakPolarHBondContact CD-OE1 3.49Å; K907-E916 VanDerWaalsContact CE-OE1 3.26Å; K907-E916 WeakPolarHBondContact CE-OE1 2.91Å; K907-E916 IonicContact NZ-OE1 2.73Å; K907-E916 PolarHBondContact NZ-OE1 2.78Å; I909-E916 HydrophobicContact CD1-CB 3.78Å; I909-E916 HydrophobicContact CD1-CG 3.58Å; I909-E916 HydrophobicContact CG1-CG 4.41Å; E916-I918 HydrophobicContact CG-CD1 4.4Å |
| 917 | K | 83 | Confident | 69.4 | Low | 94 Ų | 94 | 60 Ų | 60 | 41% | 0.409 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 129.5 | 174.7 | -170.7 | 179.3 | -177.9 | -154.8 | 0 | 111 | V874 K907 E919 | V874-K917 HydrophobicContact CG2-CB 3.94Å; V874-K917 HydrophobicContact CG2-CD 4.3Å; V874-K917 HydrophobicContact CG2-CG 3.75Å; K907-K917 PolarHBondContact NZ-O 2.78Å; K917-E919 HydrophobicContact CD-CG 4.18Å; K917-E919 VanDerWaalsContact CD-OE1 3.31Å; K917-E919 WeakPolarHBondContact CD-OE1 3.11Å; K917-E919 WeakPolarHBondContact CE-OE1 3.24Å; K917-E919 HydrophobicContact CG-CG 4.05Å; K917-E919 IonicContact NZ-OE1 2.72Å; K917-E919 PolarHBondContact NZ-OE1 3.36Å |
| 918 | I | 79.2 | Confident | 70.5 | Confident | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 127.9 | 175.9 | -52.5 | -62.1 | 0 | 0 | 0 | 109 | S872 F873 I875 I894 L896 L905 E916 L921 | S872-I918 CarbonylContact C-O 3.6Å; S872-I918 WeakPolarHBondContact CA-O 3.39Å; S872-I918 WeakPolarHBondContact CB-O 3.37Å; F873-I918 HydrophobicContact CD2-CB 4.16Å; F873-I918 HydrophobicContact CD2-CG1 4.29Å; F873-I918 HydrophobicContact CE2-CB 3.73Å; F873-I918 HydrophobicContact CE2-CG1 3.68Å; F873-I918 HydrophobicContact CE2-CG2 4.27Å; F873-I918 HydrophobicContact CZ-CB 4.17Å; F873-I918 HydrophobicContact CZ-CG1 4.38Å; F873-I918 HydrophobicContact CZ-CG2 4.21Å; F873-I918 PolarHBondContact N-O 2.9Å; F873-I918 PolarHBondContact O-N 2.87Å; I875-I918 HydrophobicContact CD1-CD1 4.14Å; I875-I918 HydrophobicContact CD1-CG1 3.6Å; I875-I918 HydrophobicContact CG1-CG1 4.15Å; I894-I918 HydrophobicContact CD1-CD1 4.39Å; L896-I918 HydrophobicContact CD1-CD1 4.41Å; L896-I918 HydrophobicContact CD1-CG1 4.14Å; L896-I918 HydrophobicContact CD1-CG2 3.86Å; L896-I918 HydrophobicContact CD2-CG2 3.65Å; L896-I918 HydrophobicContact CG-CG2 4.41Å; L905-I918 HydrophobicContact CD2-CD1 4.33Å; L905-I918 HydrophobicContact CD2-CG2 4.22Å; E916-I918 HydrophobicContact CG-CD1 4.4Å; I918-L921 HydrophobicContact CG2-CD1 4.18Å; I918-L921 HydrophobicContact CG2-CD2 4.02Å; I918-L921 HydrophobicContact CG2-CG 4.38Å |
| 919 | E | 80.3 | Confident | 71.3 | Confident | 101 Ų | 101 | 53.5 Ų | 53.5 | 47% | 0.472 | 28% | 0.275 | S | S | . | . | trans | -126.7 | 172.6 | -174.3 | -56.9 | -177.4 | 149.2 | 0 | 0 | 110.6 | T871 K917 | T871-E919 CarbonylContact O-C 3.42Å; K917-E919 HydrophobicContact CD-CG 4.18Å; K917-E919 VanDerWaalsContact CD-OE1 3.31Å; K917-E919 WeakPolarHBondContact CD-OE1 3.11Å; K917-E919 WeakPolarHBondContact CE-OE1 3.24Å; K917-E919 HydrophobicContact CG-CG 4.05Å; K917-E919 IonicContact NZ-OE1 2.72Å; K917-E919 PolarHBondContact NZ-OE1 3.36Å | ||
| 920 | N | 73.3 | Confident | 72.1 | Confident | 152 Ų | 152 | 55 Ų | 55 | 81% | 0.813 | 28% | 0.282 | S | S | * | . | S | Bend | trans | 65 | 43 | 178.9 | -61.5 | -25.9 | 0 | 0 | 0 | 116.3 | T871 | T871-N920 PolarHBondContact O-N 3.05Š|
| 921 | L | 74.2 | Confident | 72.8 | Confident | 16 Ų | 16 | 52.2 Ų | 52.2 | 8% | 0.084 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -97.1 | 149.2 | -178.4 | -54.7 | -178.3 | 0 | 0 | 0 | 113.1 | T871 F873 L896 I918 Y927 T953 | T871-L921 VanDerWaalsContact CA-O 3.3Å; T871-L921 WeakPolarHBondContact CA-O 3.41Å; T871-L921 WeakPolarHBondContact CB-O 3.44Å; T871-L921 WeakPolarHBondContact CG2-O 3.31Å; T871-L921 WeakPolarHBondContact O-CB 3.2Å; T871-L921 PolarHBondContact O-N 3.36Å; F873-L921 HydrophobicContact CD1-CD1 3.33Å; F873-L921 HydrophobicContact CE1-CD1 3.04Å; F873-L921 HydrophobicContact CE1-CG 4.49Å; F873-L921 HydrophobicContact CG-CD1 4.35Å; F873-L921 HydrophobicContact CZ-CD1 3.84Å; L896-L921 HydrophobicContact CD2-CD1 3.98Å; L896-L921 HydrophobicContact CD2-CD2 3.21Å; L896-L921 HydrophobicContact CD2-CG 4.24Å; I918-L921 HydrophobicContact CG2-CD1 4.18Å; I918-L921 HydrophobicContact CG2-CD2 4.02Å; I918-L921 HydrophobicContact CG2-CG 4.38Å; L921-Y927 WeakPolarHBondContact CA-OH 3.47Å; L921-Y927 HydrophobicContact CB-CD2 4.28Å; L921-Y927 HydrophobicContact CB-CE2 3.55Å; L921-Y927 HydrophobicContact CD1-CD2 4.36Å; L921-Y927 HydrophobicContact CD1-CE2 4.39Å; L921-Y927 HydrophobicContact CD2-CD1 4.44Å; L921-Y927 HydrophobicContact CD2-CE1 3.93Å; L921-Y927 HydrophobicContact CD2-CE2 4.2Å; L921-Y927 HydrophobicContact CG-CE2 4.27Å; L921-T953 HydrophobicContact CB-CG2 3.88Å; L921-T953 HydrophobicContact CD1-CG2 3.91Å |
| 922 | T | 65.1 | Low | 73.5 | Confident | 55 Ų | 55 | 53.5 Ų | 53.5 | 34% | 0.337 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 134 | 171.8 | -6.7 | 0 | 0 | 0 | 0 | 109.5 | T925 Y927 T953 | T922-T925 VanDerWaalsContact O-CB 3.27Å; T922-T925 WeakPolarHBondContact O-CB 3.36Å; T922-T925 PolarHBondContact O-OG1 3.16Å; T922-Y927 PolarHBondContact N-OH 3.33Å; T922-Y927 VanDerWaalsContact O-CE2 3.31Å; T922-Y927 WeakPolarHBondContact O-CE2 2.79Å; T922-Y927 PolarHBondContact OG1-OH 3.16Å; T922-T953 PolarHBondContact O-OG1 2.6Å |
| 923 | A | 60 | Low | 73.9 | Confident | 20 Ų | 20 | 45.8 Ų | 45.8 | 17% | 0.165 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 161.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | S870 T925 | S870-A923 WeakPolarHBondContact O-CA 3.02Å; S870-A923 WeakPolarHBondContact O-CB 3.24Å; S870-A923 PolarHBondContact O-N 2.9Å; A923-T925 PolarHBondContact O-N 3.36Å; A923-T925 VanDerWaalsContact O-N 3.09Å; A923-T925 PolarHBondContact O-OG1 3.35Å |
| 924 | C | 63.9 | Low | 74.1 | Confident | 22 Ų | 22 | 43.4 Ų | 43.4 | 15% | 0.149 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 27.3 | -168.9 | -162.3 | 0 | 0 | 0 | 0 | 113.5 | F952 T953 S954 I955 S956 F987 | C924-F952 VanDerWaalsContact C-CE2 3.44Å; C924-F952 HydrophobicContact CB-CZ 4.49Å; C924-F952 WeakPolarHBondContact O-CE2 3.36Å; C924-T953 PolarHBondContact N-O 3.08Å; C924-S954 PolarHBondContact N-O 2.85Å; C924-I955 HydrophobicContact CB-CB 4.45Å; C924-I955 HydrophobicContact CB-CG1 4.41Å; C924-S956 VanDerWaalsContact N-N 3.19Å; C924-F987 HydrophobicContact CB-CE1 4.43Å; C924-F987 HydrophobicContact CB-CZ 3.75Å |
| 925 | T | 62.1 | Low | 73.4 | Confident | 4 Ų | 4 | 39.4 Ų | 39.4 | 3% | 0.025 | 19% | 0.194 | C | C | . | . | trans | -118.3 | 124.2 | -172.7 | -57.9 | 0 | 0 | 0 | 0 | 107.7 | S898 T922 A923 Y927 T953 | S898-T925 WeakPolarHBondContact OG-CG2 3.5Å; T922-T925 VanDerWaalsContact O-CB 3.27Å; T922-T925 WeakPolarHBondContact O-CB 3.36Å; T922-T925 PolarHBondContact O-OG1 3.16Å; A923-T925 PolarHBondContact O-N 3.36Å; A923-T925 VanDerWaalsContact O-N 3.09Å; A923-T925 PolarHBondContact O-OG1 3.35Å; T925-Y927 HydrophobicContact CG2-CD2 4.36Å; T925-Y927 HydrophobicContact CG2-CE2 4.09Å; T925-Y927 WeakPolarHBondContact O-CD2 3.48Å; T925-Y927 PolarHBondContact O-N 3.42Å; T925-T953 PolarHBondContact N-OG1 2.82Å; T925-T953 VanDerWaalsContact N-OG1 3.08Å; T925-T953 PolarHBondContact O-N 2.9Å; T925-T953 VanDerWaalsContact O-N 3.11Å; T925-T953 PolarHBondContact O-OG1 2.88Å | ||
| 926 | I | 72.5 | Confident | 72.1 | Confident | 48 Ų | 48 | 40.4 Ų | 40.4 | 25% | 0.246 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 109.5 | 171.3 | -62.6 | 173.9 | 0 | 0 | 0 | 105.9 | T950 F952 | I926-T950 HydrophobicContact CG2-CG2 3.34Å; I926-F952 HydrophobicContact CB-CD2 4.48Å; I926-F952 HydrophobicContact CG1-CD2 3.5Å; I926-F952 VanDerWaalsContact CG1-CD2 3.5Å; I926-F952 HydrophobicContact CG1-CE2 4.06Å; I926-F952 HydrophobicContact CG1-CG 4.41Å |
| 927 | Y | 75.4 | Confident | 70.4 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 0% | 0.004 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 123.2 | 166.4 | -80.2 | -83.2 | 0 | 0 | 0 | 109.2 | L896 N897 L921 T922 T925 T950 V951 T953 | L896-Y927 HydrophobicContact CB-CD1 4.31Å; L896-Y927 HydrophobicContact CD2-CD1 3.64Å; L896-Y927 HydrophobicContact CD2-CE1 4Å; L896-Y927 HydrophobicContact CD2-CG 4.16Å; L896-Y927 HydrophobicContact CG-CD1 4.15Å; N897-Y927 CarbonylContact O-C 3.45Å; N897-Y927 VanDerWaalsContact O-CA 3.23Å; N897-Y927 WeakPolarHBondContact O-CA 3.38Å; L921-Y927 WeakPolarHBondContact CA-OH 3.47Å; L921-Y927 HydrophobicContact CB-CD2 4.28Å; L921-Y927 HydrophobicContact CB-CE2 3.55Å; L921-Y927 HydrophobicContact CD1-CD2 4.36Å; L921-Y927 HydrophobicContact CD1-CE2 4.39Å; L921-Y927 HydrophobicContact CD2-CD1 4.44Å; L921-Y927 HydrophobicContact CD2-CE1 3.93Å; L921-Y927 HydrophobicContact CD2-CE2 4.2Å; L921-Y927 HydrophobicContact CG-CE2 4.27Å; T922-Y927 PolarHBondContact N-OH 3.33Å; T922-Y927 VanDerWaalsContact O-CE2 3.31Å; T922-Y927 WeakPolarHBondContact O-CE2 2.79Å; T922-Y927 PolarHBondContact OG1-OH 3.16Å; T925-Y927 HydrophobicContact CG2-CD2 4.36Å; T925-Y927 HydrophobicContact CG2-CE2 4.09Å; T925-Y927 WeakPolarHBondContact O-CD2 3.48Å; T925-Y927 PolarHBondContact O-N 3.42Å; Y927-T950 CarbonylContact O-C 3.6Å; Y927-T950 WeakPolarHBondContact O-CA 3.1Å; Y927-V951 PolarHBondContact N-O 2.91Å; Y927-V951 PolarHBondContact O-N 3.39Å; Y927-T953 HydrophobicContact CD2-CG2 3.55Å; Y927-T953 HydrophobicContact CE2-CG2 3.84Å |
| 928 | T | 78 | Confident | 68.3 | Low | 35 Ų | 35 | 47.8 Ų | 47.8 | 22% | 0.215 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 111.5 | 169.4 | -46 | 0 | 0 | 0 | 0 | 107.7 | N897 P948 T950 | N897-T928 PolarHBondContact N-O 3.39Å; N897-T928 PolarHBondContact O-N 3.14Å; T928-P948 HydrophobicContact CG2-CB 3.15Å; T928-P948 HydrophobicContact CG2-CG 4.46Å; T928-T950 HydrophobicContact CG2-CG2 4.23Å |
| 929 | I | 79.2 | Confident | 66.5 | Low | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 135.5 | 175.4 | -51.4 | 172.4 | 0 | 0 | 0 | 108.9 | I865 F873 I875 I894 L895 L896 P948 L949 V951 | I865-I929 HydrophobicContact CD1-CD1 3.35Å; I865-I929 HydrophobicContact CD1-CG1 4.47Å; I865-I929 HydrophobicContact CG1-CD1 4.01Å; F873-I929 HydrophobicContact CD2-CD1 3.84Å; F873-I929 HydrophobicContact CE1-CD1 4.13Å; F873-I929 HydrophobicContact CE1-CG1 4.45Å; F873-I929 HydrophobicContact CE2-CD1 3.06Å; F873-I929 HydrophobicContact CE2-CG1 3.9Å; F873-I929 HydrophobicContact CZ-CD1 3.2Å; F873-I929 HydrophobicContact CZ-CG1 3.55Å; I875-I929 HydrophobicContact CD1-CD1 4.03Å; I875-I929 HydrophobicContact CD1-CG2 3.78Å; I875-I929 HydrophobicContact CG1-CD1 4Å; I894-I929 HydrophobicContact CG2-CG2 3.84Å; L895-I929 CarbonylContact O-C 3.59Å; L895-I929 VanDerWaalsContact O-CA 3.28Å; L895-I929 WeakPolarHBondContact O-CA 3.37Å; L896-I929 HydrophobicContact CD1-CG1 4.17Å; L896-I929 HydrophobicContact CD1-CG2 4.38Å; L896-I929 HydrophobicContact CG-CG1 4.33Å; I929-P948 WeakPolarHBondContact O-CA 3.46Å; I929-L949 PolarHBondContact N-O 2.88Å; I929-L949 PolarHBondContact O-N 2.94Å; I929-V951 HydrophobicContact CD1-CB 4.49Å; I929-V951 HydrophobicContact CD1-CG1 3.75Å; I929-V951 HydrophobicContact CG1-CG1 3.94Å |
| 930 | Q | 78.5 | Confident | 65.1 | Low | 41 Ų | 41 | 56.5 Ų | 56.5 | 19% | 0.192 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 147.6 | 166.3 | -66.1 | 178.4 | -79.2 | 0 | 0 | 109.3 | I894 L895 W945 S946 P948 | I894-Q930 CarbonylContact C-O 3.6Å; I894-Q930 WeakPolarHBondContact CA-O 3.38Å; L895-Q930 HydrophobicContact CB-CB 4.25Å; L895-Q930 HydrophobicContact CD2-CB 4.37Å; L895-Q930 PolarHBondContact N-O 3.02Å; L895-Q930 PolarHBondContact O-N 3.12Å; Q930-W945 VanDerWaalsContact C-CE3 3.42Å; Q930-W945 HydrophobicContact CB-CB 3.87Å; Q930-W945 HydrophobicContact CB-CD2 3.9Å; Q930-W945 HydrophobicContact CB-CE3 3.49Å; Q930-W945 VanDerWaalsContact CB-CE3 3.49Å; Q930-W945 HydrophobicContact CB-CG 4.1Å; Q930-W945 HydrophobicContact CB-CZ3 4.35Å; Q930-W945 HydrophobicContact CG-CB 4.32Å; Q930-W945 VanDerWaalsContact O-CZ3 3.31Å; Q930-W945 WeakPolarHBondContact O-CZ3 2.82Å; Q930-S946 PolarHBondContact NE2-O 2.71Å; Q930-P948 HydrophobicContact CG-CB 4Å |
| 931 | M | 78.5 | Confident | 64 | Low | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 137.1 | -179.6 | -126.5 | -176.8 | 77.4 | 0 | 0 | 109.6 | P860 I863 I875 W877 Y892 E893 I894 S946 | P860-M931 HydrophobicContact CG-CE 4Å; I863-M931 HydrophobicContact CD1-CB 3.66Å; I863-M931 HydrophobicContact CD1-SD 4.48Å; I875-M931 HydrophobicContact CG2-SD 4.24Å; W877-M931 HydrophobicContact CB-CE 4.11Å; W877-M931 HydrophobicContact CD2-CE 3.28Å; W877-M931 HydrophobicContact CD2-SD 3.56Å; W877-M931 VanDerWaalsContact CD2-SD 3.56Å; W877-M931 VanDerWaalsContact CE2-CE 3.41Å; W877-M931 HydrophobicContact CE3-CE 3.82Å; W877-M931 HydrophobicContact CE3-SD 3.37Å; W877-M931 HydrophobicContact CG-CE 3.42Å; W877-M931 VanDerWaalsContact CG-CE 3.42Å; W877-M931 HydrophobicContact CG-SD 4.14Å; W877-M931 HydrophobicContact CH2-CE 4.42Å; W877-M931 HydrophobicContact CH2-SD 4.04Å; W877-M931 HydrophobicContact CZ2-CE 4Å; W877-M931 HydrophobicContact CZ2-SD 4.23Å; W877-M931 HydrophobicContact CZ3-CE 4.35Å; W877-M931 HydrophobicContact CZ3-SD 3.64Å; Y892-M931 HydrophobicContact CD1-CE 3.48Å; Y892-M931 VanDerWaalsContact CD1-CE 3.48Å; Y892-M931 HydrophobicContact CE1-CE 4.04Å; Y892-M931 HydrophobicContact CG-CE 4.09Å; E893-M931 WeakPolarHBondContact O-CA 3.26Å; I894-M931 HydrophobicContact CB-CG 4.34Å; I894-M931 HydrophobicContact CD1-CG 4.25Å; I894-M931 HydrophobicContact CD1-SD 4.27Å; I894-M931 HydrophobicContact CG1-CG 3.71Å; I894-M931 HydrophobicContact CG1-SD 4.34Å; I894-M931 HydrophobicContact CG2-CG 4.45Å; M931-S946 PolarHBondContact N-OG 2.95Å; M931-S946 WeakPolarHBondContact O-CB 3.47Å; M931-S946 PolarHBondContact O-N 3.45Å |
| 932 | R | 74.6 | Confident | 63.3 | Low | 64 Ų | 64 | 53.5 Ų | 53.5 | 24% | 0.242 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 155.5 | 176.2 | 71.5 | -176.2 | -174.4 | 175 | 0.3 | 111.4 | Y892 E893 V934 C942 S943 E944 W945 | Y892-R932 WeakPolarHBondContact CA-O 3.04Å; E893-R932 HydrophobicContact CB-CG 3.96Å; E893-R932 PolarHBondContact N-O 3.19Å; E893-R932 PolarHBondContact O-N 2.98Å; E893-R932 IonicContact OE2-CZ 3.51Å; E893-R932 IonicContact OE2-NE 3.59Å; E893-R932 PolarHBondContact OE2-NE 2.6Å; E893-R932 IonicContact OE2-NH2 2.7Å; E893-R932 PolarHBondContact OE2-NH2 2.91Å; R932-V934 HydrophobicContact CG-CG2 4.46Å; R932-C942 HydrophobicContact CG-CB 4.27Å; R932-C942 VanDerWaalsContact CZ-SG 3.53Å; R932-S943 WeakPolarHBondContact CA-OG 3.31Å; R932-S943 WeakPolarHBondContact CB-O 3.24Å; R932-S943 WeakPolarHBondContact CB-OG 3.44Å; R932-E944 WeakPolarHBondContact CB-O 3.5Å; R932-W945 HydrophobicContact CB-CD2 4.22Å; R932-W945 HydrophobicContact CB-CE3 3.88Å; R932-W945 HydrophobicContact CB-CZ3 4.15Å; R932-W945 HydrophobicContact CG-CD2 4.18Å; R932-W945 HydrophobicContact CG-CE3 3.87Å; R932-W945 HydrophobicContact CG-CH2 3.82Å; R932-W945 HydrophobicContact CG-CZ2 4.14Å; R932-W945 HydrophobicContact CG-CZ3 3.69Å |
| 933 | L | 71.1 | Confident | 63.4 | Low | 3 Ų | 3 | 51.2 Ų | 51.2 | 2% | 0.016 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 128.9 | -177.8 | -158.3 | 129.1 | 0 | 0 | 0 | 108.7 | I857 V880 V889 Y892 I935 C942 S943 | I857-L933 HydrophobicContact CG2-CB 4.47Å; I857-L933 HydrophobicContact CG2-CD2 4.04Å; V880-L933 HydrophobicContact CB-CD1 4.38Å; V880-L933 HydrophobicContact CG2-CD1 4.07Å; V889-L933 HydrophobicContact CB-CD2 4.41Å; V889-L933 HydrophobicContact CG1-CD1 4.08Å; V889-L933 HydrophobicContact CG1-CD2 3.6Å; V889-L933 HydrophobicContact CG1-CG 3.95Å; V889-L933 HydrophobicContact CG2-CD2 4.14Å; Y892-L933 HydrophobicContact CD1-CD1 4.07Å; Y892-L933 HydrophobicContact CD1-CG 4.48Å; Y892-L933 HydrophobicContact CE1-CD1 3.5Å; Y892-L933 VanDerWaalsContact CE1-CD1 3.5Å; Y892-L933 HydrophobicContact CE1-CG 4.35Å; L933-I935 HydrophobicContact CD2-CD1 4.47Å; L933-I935 HydrophobicContact CD2-CG1 4.23Å; L933-C942 CarbonylContact O-C 3.43Å; L933-C942 VanDerWaalsContact O-CA 3.27Å; L933-C942 WeakPolarHBondContact O-CA 3.39Å; L933-S943 PolarHBondContact N-OG 2.73Å; L933-S943 PolarHBondContact O-N 3.37Å |
| 934 | V | 68 | Low | 63.5 | Low | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.006 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 130.1 | -175.7 | -174.9 | 0 | 0 | 0 | 0 | 110.3 | S890 T891 E893 R932 T940 C942 | S890-V934 PolarHBondContact N-O 2.78Å; T891-V934 PolarHBondContact N-O 3.33Å; T891-V934 WeakPolarHBondContact O-CA 3.14Å; T891-V934 PolarHBondContact O-N 2.97Å; T891-V934 VanDerWaalsContact O-O 3.13Å; E893-V934 HydrophobicContact CB-CG2 4.05Å; E893-V934 HydrophobicContact CG-CG2 3.54Å; R932-V934 HydrophobicContact CG-CG2 4.46Å; V934-T940 HydrophobicContact CG1-CG2 3.73Å; V934-C942 HydrophobicContact CG2-CB 4.28Å |
| 935 | I | 60.9 | Low | 63.8 | Low | 16 Ų | 16 | 56 Ų | 56 | 8% | 0.082 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 117.4 | 177.9 | -54.9 | 178.9 | 0 | 0 | 0 | 107.7 | I857 F887 L933 Q937 V941 | I857-I935 HydrophobicContact CD1-CD1 3.91Å; F887-I935 HydrophobicContact CB-CD1 4.3Å; L933-I935 HydrophobicContact CD2-CD1 4.47Å; L933-I935 HydrophobicContact CD2-CG1 4.23Å; I935-Q937 VanDerWaalsContact C-N 3.35Å; I935-Q937 PolarHBondContact O-N 3.44Å; I935-V941 PolarHBondContact N-O 3.26Å |
| 936 | K | 54.4 | Low | 64.4 | Low | 130 Ų | 130 | 56.1 Ų | 56.1 | 57% | 0.565 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -2.7 | -170.4 | -81.6 | -171.6 | 175.5 | -176.8 | 0 | 114.5 | S890 Y938 | S890-K936 PolarHBondContact OG-N 3.25Å; K936-Y938 PolarHBondContact O-N 3.3Å |
| 937 | Q | 45.3 | Very low | 64.1 | Low | 115 Ų | 115 | 63 Ų | 63 | 54% | 0.537 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -16.8 | -166.1 | -145 | 167.1 | 8.5 | 0 | 0 | 114.5 | I935 | I935-Q937 VanDerWaalsContact C-N 3.35Å; I935-Q937 PolarHBondContact O-N 3.44Å |
| 938 | Y | 39.1 | Very low | 63.9 | Low | 177 Ų | 177 | 66.5 Ų | 66.5 | 69% | 0.694 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -146.7 | 121.4 | 170.3 | -59.4 | -81.5 | 0 | 0 | 0 | 106.1 | K936 T940 | K936-Y938 PolarHBondContact O-N 3.3Å; Y938-T940 PolarHBondContact O-N 3.05Å; Y938-T940 VanDerWaalsContact O-N 3.14Å |
| 939 | E | 42.9 | Very low | 63.6 | Low | 190 Ų | 190 | 67.6 Ų | 67.6 | 89% | 0.888 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 18.9 | 80.3 | 174.8 | -67.7 | -177 | 161.8 | 0 | 0 | 115.6 | V941 | E939-V941 VanDerWaalsContact C-N 3.32Å; E939-V941 PolarHBondContact O-N 3.16Å |
| 940 | T | 50.4 | Low | 63.5 | Low | 95 Ų | 95 | 71.7 Ų | 71.7 | 58% | 0.583 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 27.8 | 54.5 | 169.6 | -9.8 | 0 | 0 | 0 | 0 | 116.9 | V934 Y938 C942 | V934-T940 HydrophobicContact CG1-CG2 3.73Å; Y938-T940 PolarHBondContact O-N 3.05Å; Y938-T940 VanDerWaalsContact O-N 3.14Å; T940-C942 PolarHBondContact O-N 3.27Å; T940-C942 PolarHBondContact O-SG 3.08Å; T940-C942 VanDerWaalsContact O-SG 3.34Å |
| 941 | V | 49.3 | Very low | 63.3 | Low | 79 Ų | 79 | 70 Ų | 70 | 48% | 0.479 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 121.2 | 175.9 | -178.5 | 0 | 0 | 0 | 0 | 109.4 | I935 E939 | I935-V941 PolarHBondContact N-O 3.26Å; E939-V941 VanDerWaalsContact C-N 3.32Å; E939-V941 PolarHBondContact O-N 3.16Å |
| 942 | C | 60.5 | Low | 63.1 | Low | 25 Ų | 25 | 72.8 Ų | 72.8 | 17% | 0.169 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 142.5 | -178.7 | -54 | 0 | 0 | 0 | 0 | 110.8 | R932 L933 V934 T940 | R932-C942 HydrophobicContact CG-CB 4.27Å; R932-C942 VanDerWaalsContact CZ-SG 3.53Å; L933-C942 CarbonylContact O-C 3.43Å; L933-C942 VanDerWaalsContact O-CA 3.27Å; L933-C942 WeakPolarHBondContact O-CA 3.39Å; V934-C942 HydrophobicContact CG2-CB 4.28Å; T940-C942 PolarHBondContact O-N 3.27Å; T940-C942 PolarHBondContact O-SG 3.08Å; T940-C942 VanDerWaalsContact O-SG 3.34Å |
| 943 | S | 66 | Low | 62.8 | Low | 7 Ų | 7 | 69.8 Ų | 69.8 | 5% | 0.049 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 168.4 | 166.7 | 74.6 | 0 | 0 | 0 | 0 | 110.8 | R932 L933 | R932-S943 WeakPolarHBondContact CA-OG 3.31Å; R932-S943 WeakPolarHBondContact CB-O 3.24Å; R932-S943 WeakPolarHBondContact CB-OG 3.44Å; L933-S943 PolarHBondContact N-OG 2.73Å; L933-S943 PolarHBondContact O-N 3.37Å |
| 944 | E | 62.8 | Low | 62.1 | Low | 73 Ų | 73 | 72.2 Ų | 72.2 | 34% | 0.341 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -52.7 | 153.9 | 162.7 | -81.1 | -142.1 | 151.8 | 0 | 0 | 110.5 | N792 L853 T859 R932 | N792-E944 PolarHBondContact ND2-OE1 2.87Å; N792-E944 PolarHBondContact OD1-OE1 2.9Å; L853-E944 HydrophobicContact CD2-CB 4.22Å; L853-E944 HydrophobicContact CD2-CG 3.29Å; T859-E944 HydrophobicContact CG2-CB 4.33Å; T859-E944 WeakPolarHBondContact CG2-O 3.47Å; R932-E944 WeakPolarHBondContact CB-O 3.5Å |
| 945 | W | 70 | Confident | 61.6 | Low | 71 Ų | 71 | 76 Ų | 76 | 27% | 0.269 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 134.5 | 165.2 | -76.5 | 111 | 0 | 0 | 0 | 108.3 | E893 L895 Q930 R932 | E893-W945 HydrophobicContact CB-CH2 4.29Å; L895-W945 HydrophobicContact CB-CD2 4.3Å; L895-W945 HydrophobicContact CB-CE3 3.87Å; L895-W945 HydrophobicContact CB-CH2 3.36Å; L895-W945 HydrophobicContact CB-CZ2 3.8Å; L895-W945 HydrophobicContact CB-CZ3 3.38Å; L895-W945 HydrophobicContact CD2-CD2 4.25Å; L895-W945 HydrophobicContact CD2-CZ2 4.19Å; L895-W945 HydrophobicContact CG-CH2 4.48Å; L895-W945 HydrophobicContact CG-CZ2 4.5Å; Q930-W945 VanDerWaalsContact C-CE3 3.42Å; Q930-W945 HydrophobicContact CB-CB 3.87Å; Q930-W945 HydrophobicContact CB-CD2 3.9Å; Q930-W945 HydrophobicContact CB-CE3 3.49Å; Q930-W945 VanDerWaalsContact CB-CE3 3.49Å; Q930-W945 HydrophobicContact CB-CG 4.1Å; Q930-W945 HydrophobicContact CB-CZ3 4.35Å; Q930-W945 HydrophobicContact CG-CB 4.32Å; Q930-W945 VanDerWaalsContact O-CZ3 3.31Å; Q930-W945 WeakPolarHBondContact O-CZ3 2.82Å; R932-W945 HydrophobicContact CB-CD2 4.22Å; R932-W945 HydrophobicContact CB-CE3 3.88Å; R932-W945 HydrophobicContact CB-CZ3 4.15Å; R932-W945 HydrophobicContact CG-CD2 4.18Å; R932-W945 HydrophobicContact CG-CE3 3.87Å; R932-W945 HydrophobicContact CG-CH2 3.82Å; R932-W945 HydrophobicContact CG-CZ2 4.14Å; R932-W945 HydrophobicContact CG-CZ3 3.69Å |
| 946 | S | 75.1 | Confident | 61.4 | Low | 5 Ų | 5 | 77 Ų | 77 | 4% | 0.035 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -53.2 | 160.1 | 171 | 67.2 | 0 | 0 | 0 | 0 | 110.9 | I863 Q930 M931 P948 | I863-S946 WeakPolarHBondContact CD1-OG 3.48Å; Q930-S946 PolarHBondContact NE2-O 2.71Å; M931-S946 PolarHBondContact N-OG 2.95Å; M931-S946 WeakPolarHBondContact O-CB 3.47Å; M931-S946 PolarHBondContact O-N 3.45Å; S946-P948 VanDerWaalsContact O-N 3.15Å |
| 947 | K | 65.6 | Low | 61.7 | Low | 193 Ų | 193 | 73.2 Ų | 73.2 | 84% | 0.839 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -47.5 | 128.9 | 169.8 | -83.9 | -169.5 | 175.5 | -175.2 | 0 | 108.9 | L949 | K947-L949 PolarHBondContact O-N 3.4Š|
| 948 | P | 71.1 | Confident | 62.6 | Low | 75 Ų | 75 | 67.8 Ų | 67.8 | 49% | 0.487 | 35% | 0.349 | S | S | . | . | trans | -54.9 | 112.2 | 179.9 | 16.1 | -26.7 | 0 | 0 | 0 | 109.2 | T928 I929 Q930 S946 T950 | T928-P948 HydrophobicContact CG2-CB 3.15Å; T928-P948 HydrophobicContact CG2-CG 4.46Å; I929-P948 WeakPolarHBondContact O-CA 3.46Å; Q930-P948 HydrophobicContact CG-CB 4Å; S946-P948 VanDerWaalsContact O-N 3.15Å; P948-T950 PolarHBondContact O-N 2.69Å | ||
| 949 | L | 72.3 | Confident | 64.2 | Low | 57 Ų | 57 | 63 Ų | 63 | 30% | 0.298 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 99.8 | 177.6 | -166.5 | 65 | 0 | 0 | 0 | 106.3 | I863 I865 I929 K947 V951 | I863-L949 HydrophobicContact CB-CD2 4.15Å; I863-L949 HydrophobicContact CG2-CD2 3.75Å; I863-L949 WeakPolarHBondContact O-CD2 3.25Å; I865-L949 HydrophobicContact CD1-CB 4.44Å; I865-L949 HydrophobicContact CD1-CD2 3.45Å; I865-L949 VanDerWaalsContact CD1-CD2 3.45Å; I865-L949 HydrophobicContact CD1-CG 3.67Å; I865-L949 HydrophobicContact CG1-CD2 3.49Å; I865-L949 VanDerWaalsContact CG1-CD2 3.49Å; I865-L949 HydrophobicContact CG1-CG 4.26Å; I929-L949 PolarHBondContact N-O 2.88Å; I929-L949 PolarHBondContact O-N 2.94Å; K947-L949 PolarHBondContact O-N 3.4Å; L949-V951 PolarHBondContact O-N 3.02Å |
| 950 | T | 77 | Confident | 65.8 | Low | 89 Ų | 89 | 55.9 Ų | 55.9 | 55% | 0.546 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 118.6 | 175.9 | 24.6 | 0 | 0 | 0 | 0 | 109.5 | I926 Y927 T928 P948 | I926-T950 HydrophobicContact CG2-CG2 3.34Å; Y927-T950 CarbonylContact O-C 3.6Å; Y927-T950 WeakPolarHBondContact O-CA 3.1Å; T928-T950 HydrophobicContact CG2-CG2 4.23Å; P948-T950 PolarHBondContact O-N 2.69Å |
| 951 | V | 74.4 | Confident | 67.2 | Low | 4 Ų | 4 | 51.4 Ų | 51.4 | 2% | 0.024 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 123.4 | 165 | 61.1 | 0 | 0 | 0 | 0 | 108.3 | I865 I868 F873 Y927 I929 L949 T953 | I865-V951 HydrophobicContact CD1-CB 3.58Å; I865-V951 HydrophobicContact CD1-CG1 4.1Å; I865-V951 HydrophobicContact CD1-CG2 4.19Å; I865-V951 HydrophobicContact CG2-CG2 4.05Å; I868-V951 HydrophobicContact CB-CG2 4.4Å; I868-V951 HydrophobicContact CD1-CG2 3.52Å; I868-V951 HydrophobicContact CG1-CG2 3.67Å; I868-V951 HydrophobicContact CG2-CG2 3.79Å; F873-V951 HydrophobicContact CD1-CB 4.36Å; F873-V951 HydrophobicContact CD1-CG1 3.48Å; F873-V951 VanDerWaalsContact CD1-CG1 3.48Å; F873-V951 HydrophobicContact CD1-CG2 3.97Å; F873-V951 HydrophobicContact CE1-CB 4.39Å; F873-V951 HydrophobicContact CE1-CG1 3.14Å; F873-V951 HydrophobicContact CE1-CG2 4.48Å; F873-V951 HydrophobicContact CE2-CG1 4.36Å; F873-V951 HydrophobicContact CG-CG1 4.19Å; F873-V951 HydrophobicContact CG-CG2 4.31Å; F873-V951 HydrophobicContact CZ-CG1 3.65Å; Y927-V951 PolarHBondContact N-O 2.91Å; Y927-V951 PolarHBondContact O-N 3.39Å; I929-V951 HydrophobicContact CD1-CB 4.49Å; I929-V951 HydrophobicContact CD1-CG1 3.75Å; I929-V951 HydrophobicContact CG1-CG1 3.94Å; L949-V951 PolarHBondContact O-N 3.02Å; V951-T953 PolarHBondContact O-N 2.79Å |
| 952 | F | 74 | Confident | 68.6 | Low | 60 Ų | 60 | 50.5 Ų | 50.5 | 26% | 0.263 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 109.6 | 168.2 | -172.1 | -130.3 | 0 | 0 | 0 | 107.1 | C924 I926 S954 I955 | C924-F952 VanDerWaalsContact C-CE2 3.44Å; C924-F952 HydrophobicContact CB-CZ 4.49Å; C924-F952 WeakPolarHBondContact O-CE2 3.36Å; I926-F952 HydrophobicContact CB-CD2 4.48Å; I926-F952 HydrophobicContact CG1-CD2 3.5Å; I926-F952 VanDerWaalsContact CG1-CD2 3.5Å; I926-F952 HydrophobicContact CG1-CE2 4.06Å; I926-F952 HydrophobicContact CG1-CG 4.41Å; F952-S954 PolarHBondContact O-N 3.09Å; F952-I955 HydrophobicContact CE1-CD1 3.99Å; F952-I955 HydrophobicContact CE1-CG1 3.5Å; F952-I955 VanDerWaalsContact CE1-CG1 3.5Å; F952-I955 HydrophobicContact CZ-CD1 4.28Å; F952-I955 HydrophobicContact CZ-CG1 3.58Å |
| 953 | T | 68.2 | Low | 69.6 | Low | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | trans | -58.7 | 132.9 | 165.6 | 50.4 | 0 | 0 | 0 | 0 | 107 | S870 F873 L921 T922 C924 T925 Y927 V951 I955 | S870-T953 WeakPolarHBondContact O-CB 3.37Å; F873-T953 HydrophobicContact CD1-CG2 4.44Å; L921-T953 HydrophobicContact CB-CG2 3.88Å; L921-T953 HydrophobicContact CD1-CG2 3.91Å; T922-T953 PolarHBondContact O-OG1 2.6Å; C924-T953 PolarHBondContact N-O 3.08Å; T925-T953 PolarHBondContact N-OG1 2.82Å; T925-T953 VanDerWaalsContact N-OG1 3.08Å; T925-T953 PolarHBondContact O-N 2.9Å; T925-T953 VanDerWaalsContact O-N 3.11Å; T925-T953 PolarHBondContact O-OG1 2.88Å; Y927-T953 HydrophobicContact CD2-CG2 3.55Å; Y927-T953 HydrophobicContact CE2-CG2 3.84Å; V951-T953 PolarHBondContact O-N 2.79Å; T953-I955 PolarHBondContact O-N 2.84Å | ||
| 954 | S | 57.4 | Low | 70.4 | Confident | 55 Ų | 55 | 54.2 Ų | 54.2 | 39% | 0.385 | 29% | 0.291 | S | S | . | . | trans | -49.2 | 137.6 | -174.9 | -53.4 | 0 | 0 | 0 | 0 | 110 | T869 C924 F952 S956 | T869-S954 PolarHBondContact O-N 3.46Å; C924-S954 PolarHBondContact N-O 2.85Å; F952-S954 PolarHBondContact O-N 3.09Å; S954-S956 PolarHBondContact O-N 2.84Å | ||
| 955 | I | 57 | Low | 71.3 | Confident | 80 Ų | 80 | 54.2 Ų | 54.2 | 41% | 0.41 | 30% | 0.296 | S | S | . | . | trans | -42.8 | 117.2 | -176.9 | -76.7 | 164.2 | 0 | 0 | 0 | 110 | C924 F952 T953 I1041 | C924-I955 HydrophobicContact CB-CB 4.45Å; C924-I955 HydrophobicContact CB-CG1 4.41Å; F952-I955 HydrophobicContact CE1-CD1 3.99Å; F952-I955 HydrophobicContact CE1-CG1 3.5Å; F952-I955 VanDerWaalsContact CE1-CG1 3.5Å; F952-I955 HydrophobicContact CZ-CD1 4.28Å; F952-I955 HydrophobicContact CZ-CG1 3.58Å; T953-I955 PolarHBondContact O-N 2.84Å; I955-I1041 HydrophobicContact CD1-CD1 3.82Å; I955-I1041 HydrophobicContact CG1-CD1 4.35Å; I955-I1041 HydrophobicContact CG2-CD1 4.09Å; I955-I1041 HydrophobicContact CG2-CG2 3.82Å | ||
| 956 | S | 56.3 | Low | 71.7 | Confident | 36 Ų | 36 | 53 Ų | 53 | 25% | 0.252 | 29% | 0.292 | S | S | . | . | trans | -74.7 | 139.7 | 153.5 | 145.4 | 0 | 0 | 0 | 0 | 108.8 | C924 S954 F987 | C924-S956 VanDerWaalsContact N-N 3.19Å; S954-S956 PolarHBondContact O-N 2.84Å; S956-F987 WeakPolarHBondContact O-CZ 3.32Å | ||
| 957 | T | 61.1 | Low | 71.3 | Confident | 52 Ų | 52 | 58.1 Ų | 58.1 | 32% | 0.319 | 32% | 0.319 | S | S | . | . | trans | -65.3 | 135.4 | 169.4 | 52.2 | 0 | 0 | 0 | 0 | 109.4 | R1042 | T957-R1042 WeakPolarHBondContact CB-O 3.37Å; T957-R1042 WeakPolarHBondContact CG2-O 3.42Å | ||
| 958 | P | 64.4 | Low | 70.9 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.006 | 29% | 0.293 | C | S | . | . | trans | -41.6 | 148.9 | 171.1 | -26 | 25.4 | 0 | 0 | 0 | 112.3 | F987 I989 I1041 R1042 S1043 | P958-F987 HydrophobicContact CB-CB 4.41Å; P958-F987 HydrophobicContact CB-CD2 3.91Å; P958-F987 HydrophobicContact CB-CE2 4.38Å; P958-F987 HydrophobicContact CB-CG 4.15Å; P958-F987 HydrophobicContact CG-CB 4.41Å; P958-F987 HydrophobicContact CG-CD1 4.15Å; P958-F987 HydrophobicContact CG-CD2 4.04Å; P958-F987 HydrophobicContact CG-CE1 4.42Å; P958-F987 HydrophobicContact CG-CE2 4.32Å; P958-F987 HydrophobicContact CG-CG 3.95Å; P958-F987 HydrophobicContact CG-CZ 4.5Å; P958-I989 HydrophobicContact CB-CD1 4.02Å; P958-I1041 HydrophobicContact CG-CG2 4.4Å; P958-R1042 WeakPolarHBondContact CD-O 3.3Å; P958-S1043 WeakPolarHBondContact O-CA 3.23Å; P958-S1043 WeakPolarHBondContact O-CB 3.35Å | ||
| 959 | N | 72.3 | Confident | 70.3 | Confident | 75 Ų | 75 | 50 Ų | 50 | 40% | 0.401 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 134.9 | 173.8 | -68.5 | -33.5 | 0 | 0 | 0 | 110 | P981 E983 N984 S1034 | N959-P981 HydrophobicContact CB-CB 3.92Å; N959-E983 PolarHBondContact ND2-O 2.86Å; N959-N984 WeakPolarHBondContact CB-ND2 3.29Å; N959-N984 PolarHBondContact N-ND2 2.91Å; N959-N984 VanDerWaalsContact N-ND2 3.12Å; N959-N984 PolarHBondContact N-OD1 2.82Å; N959-N984 PolarHBondContact ND2-OD1 3.07Å; N959-N984 PolarHBondContact O-ND2 2.92Å; N959-S1034 PolarHBondContact O-OG 3.3Å |
| 960 | P | 76 | Confident | 69.7 | Low | 41 Ų | 41 | 53.2 Ų | 53.2 | 27% | 0.266 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 153.5 | 176.3 | 16.9 | -25.7 | 0 | 0 | 0 | 111.8 | V962 L1044 | P960-V962 PolarHBondContact O-N 3.03Å; P960-L1044 WeakPolarHBondContact CB-O 3.33Å |
| 961 | P | 79.6 | Confident | 69.1 | Low | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.013 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -55.6 | 137.5 | 169.3 | -19 | 31.2 | 0 | 0 | 0 | 110.5 | V964 W978 F992 V1032 S1034 | P961-V964 HydrophobicContact CB-CG2 4.15Å; P961-V964 WeakPolarHBondContact O-CG2 3.45Å; P961-W978 HydrophobicContact CB-CB 3.92Å; P961-W978 HydrophobicContact CB-CG 3.96Å; P961-F992 HydrophobicContact CB-CD1 4.45Å; P961-F992 HydrophobicContact CB-CE1 4.36Å; P961-F992 HydrophobicContact CG-CD1 3.71Å; P961-F992 HydrophobicContact CG-CE1 3.95Å; P961-V1032 WeakPolarHBondContact CD-O 3.03Å; P961-V1032 HydrophobicContact CG-CB 4.04Å; P961-V1032 HydrophobicContact CG-CG1 3.79Å; P961-S1034 VanDerWaalsContact CD-OG 3.28Å; P961-S1034 WeakPolarHBondContact CD-OG 3.39Å; P961-S1034 WeakPolarHBondContact CG-OG 3.48Å |
| 962 | V | 79.9 | Confident | 68.8 | Low | 60 Ų | 60 | 52.8 Ų | 52.8 | 36% | 0.364 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 159 | 179.5 | -70.3 | 0 | 0 | 0 | 0 | 109.8 | P960 V964 M979 | P960-V962 PolarHBondContact O-N 3.03Å; V962-V964 VanDerWaalsContact C-N 3.28Å; V962-V964 PolarHBondContact O-N 3.44Å; V962-M979 HydrophobicContact CG2-CB 4.06Å; V962-M979 PolarHBondContact N-O 3.13Å; V962-M979 VanDerWaalsContact N-O 3.09Å; V962-M979 WeakPolarHBondContact O-CA 3.16Å; V962-M979 WeakPolarHBondContact O-CB 3.33Å; V962-M979 PolarHBondContact O-N 2.84Å |
| 963 | N | 81.4 | Confident | 68.6 | Low | 106 Ų | 106 | 51.5 Ų | 51.5 | 57% | 0.567 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 54 | 39.7 | -178.6 | -65 | -16.4 | 0 | 0 | 0 | 114.3 | T965 M979 | N963-T965 PolarHBondContact O-N 2.93Å; N963-M979 HydrophobicContact CB-CB 4.36Å; N963-M979 HydrophobicContact CB-CG 4.19Å; N963-M979 HydrophobicContact CB-SD 4.11Å; N963-M979 PolarHBondContact ND2-SD 2.89Å |
| 964 | V | 81.9 | Confident | 69 | Low | 3 Ų | 3 | 51.5 Ų | 51.5 | 2% | 0.018 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 121.9 | 172.3 | -164.9 | 0 | 0 | 0 | 0 | 108.8 | P961 V962 V976 V977 W978 V1032 S1046 I1049 | P961-V964 HydrophobicContact CB-CG2 4.15Å; P961-V964 WeakPolarHBondContact O-CG2 3.45Å; V962-V964 VanDerWaalsContact C-N 3.28Å; V962-V964 PolarHBondContact O-N 3.44Å; V964-V976 HydrophobicContact CG1-CG1 4.08Å; V964-V977 CarbonylContact C-O 3.59Å; V964-V977 WeakPolarHBondContact CA-O 3.43Å; V964-W978 HydrophobicContact CB-CB 4.36Å; V964-W978 HydrophobicContact CG1-CB 4.36Å; V964-W978 HydrophobicContact CG2-CB 3.91Å; V964-V1032 HydrophobicContact CG1-CB 4.35Å; V964-V1032 HydrophobicContact CG1-CG2 3.52Å; V964-V1032 HydrophobicContact CG2-CB 4.39Å; V964-V1032 HydrophobicContact CG2-CG2 4.41Å; V964-S1046 VanDerWaalsContact CG2-CB 3.43Å; V964-S1046 WeakPolarHBondContact CG2-OG 3.43Å; V964-I1049 HydrophobicContact CB-CD1 4.16Å; V964-I1049 HydrophobicContact CG1-CD1 3.51Å; V964-I1049 HydrophobicContact CG1-CG1 4.29Å; V964-I1049 WeakPolarHBondContact O-CG2 3.33Å |
| 965 | T | 83 | Confident | 70.2 | Confident | 73 Ų | 73 | 52.5 Ų | 52.5 | 45% | 0.448 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 173.8 | -175 | 56.1 | 0 | 0 | 0 | 0 | 110.8 | N963 V977 | N963-T965 PolarHBondContact O-N 2.93Å; T965-V977 PolarHBondContact N-O 2.91Å; T965-V977 PolarHBondContact O-N 2.88Å; T965-V977 VanDerWaalsContact O-O 3.09Å |
| 966 | F | 76.8 | Confident | 71.6 | Confident | 45 Ų | 45 | 48.7 Ų | 48.7 | 20% | 0.197 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 135.7 | 174.8 | -56.6 | -89.7 | 0 | 0 | 0 | 110.1 | L974 R975 V976 V1030 I1049 A1051 | F966-L974 HydrophobicContact CB-CD2 4.36Å; F966-L974 HydrophobicContact CD1-CB 4.42Å; F966-L974 HydrophobicContact CD1-CD2 3.57Å; F966-L974 HydrophobicContact CE1-CD2 3.96Å; F966-L974 HydrophobicContact CG-CD2 4.09Å; F966-R975 CarbonylContact C-O 3.58Å; F966-R975 VanDerWaalsContact CA-O 3.27Å; F966-R975 WeakPolarHBondContact CA-O 3.26Å; F966-V976 HydrophobicContact CD1-CB 4.42Å; F966-V976 HydrophobicContact CD1-CG2 3.78Å; F966-V976 HydrophobicContact CE1-CG2 3.68Å; F966-V1030 HydrophobicContact CE1-CB 3.88Å; F966-V1030 HydrophobicContact CE1-CG1 4.32Å; F966-V1030 HydrophobicContact CE1-CG2 3.56Å; F966-V1030 HydrophobicContact CZ-CB 3.58Å; F966-V1030 HydrophobicContact CZ-CG1 4.38Å; F966-V1030 HydrophobicContact CZ-CG2 3.56Å; F966-I1049 HydrophobicContact CD2-CD1 3.65Å; F966-I1049 HydrophobicContact CD2-CG1 4.27Å; F966-I1049 HydrophobicContact CE1-CD1 4.16Å; F966-I1049 HydrophobicContact CE2-CB 3.75Å; F966-I1049 HydrophobicContact CE2-CD1 3.21Å; F966-I1049 HydrophobicContact CE2-CG1 3.37Å; F966-I1049 HydrophobicContact CG-CD1 4.31Å; F966-I1049 HydrophobicContact CZ-CB 4.38Å; F966-I1049 HydrophobicContact CZ-CD1 3.52Å; F966-I1049 HydrophobicContact CZ-CG1 3.58Å; F966-A1051 HydrophobicContact CD1-CB 3.91Å; F966-A1051 HydrophobicContact CD2-CB 3.47Å; F966-A1051 VanDerWaalsContact CD2-CB 3.47Å; F966-A1051 HydrophobicContact CE1-CB 3.63Å; F966-A1051 HydrophobicContact CE2-CB 3.17Å; F966-A1051 HydrophobicContact CG-CB 3.8Å; F966-A1051 HydrophobicContact CZ-CB 3.24Å |
| 967 | I | 67.5 | Low | 73.1 | Confident | 114 Ų | 114 | 48.2 Ų | 48.2 | 59% | 0.585 | 25% | 0.252 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.9 | -34.2 | -179 | -64.3 | -171.3 | 0 | 0 | 0 | 112.3 | R975 V977 | I967-R975 PolarHBondContact N-O 3.34Å; I967-V977 HydrophobicContact CB-CG2 3.99Å; I967-V977 HydrophobicContact CD1-CB 3.76Å; I967-V977 HydrophobicContact CD1-CG1 3.91Å; I967-V977 HydrophobicContact CD1-CG2 3.29Å; I967-V977 HydrophobicContact CG1-CB 3.99Å; I967-V977 HydrophobicContact CG1-CG2 3.39Å |
| 968 | E | 56.9 | Low | 74.4 | Confident | 65 Ų | 65 | 46 Ų | 46 | 30% | 0.304 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 118.2 | -176.3 | -119.8 | -172.2 | 144 | 0 | 0 | 111.4 | L974 R975 R1057 | E968-L974 CarbonylContact O-C 3.44Å; E968-L974 WeakPolarHBondContact O-CA 3.41Å; E968-R975 HydrophobicContact CB-CB 3.94Å; E968-R975 PolarHBondContact O-N 2.91Å; E968-R975 IonicContact OE2-CZ 2.81Å; E968-R975 IonicContact OE2-NH1 3.09Å; E968-R1057 IonicContact OE1-NH2 3.89Å |
| 969 | T | 59 | Low | 75.2 | Confident | 32 Ų | 32 | 50.4 Ų | 50.4 | 20% | 0.196 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 109 | 177.2 | 59 | 0 | 0 | 0 | 0 | 109.3 | Q973 L974 Y1054 | T969-Q973 CarbonylContact C-O 3.58Å; T969-L974 HydrophobicContact CG2-CD2 3.4Å; T969-Y1054 HydrophobicContact CG2-CD2 3.96Å; T969-Y1054 HydrophobicContact CG2-CE2 4.11Å; T969-Y1054 WeakPolarHBondContact OG1-CD2 3.38Å |
| 970 | R | 58.6 | Low | 75.4 | Confident | 124 Ų | 124 | 49.7 Ų | 49.7 | 47% | 0.468 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 167.3 | 163.4 | -54.3 | -176 | 178.4 | -169.7 | -1.6 | 108.6 | T972 Q973 | R970-T972 PolarHBondContact O-N 2.89Å; R970-Q973 HydrophobicContact CB-CB 4.03Å; R970-Q973 HydrophobicContact CG-CB 4.4Å; R970-Q973 PolarHBondContact N-O 2.9Å; R970-Q973 PolarHBondContact O-N 2.86Å |
| 971 | S | 64.3 | Low | 75.3 | Confident | 19 Ų | 19 | 48.6 Ų | 48.6 | 13% | 0.133 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -29.1 | 178.3 | 51.9 | 0 | 0 | 0 | 0 | 113.3 | C1023 P1024 Y1054 D1056 | S971-C1023 CarbonylContact O-C 3.59Å; S971-P1024 WeakPolarHBondContact O-CA 3.31Å; S971-P1024 WeakPolarHBondContact O-CB 3.45Å; S971-P1024 WeakPolarHBondContact O-CD 3.06Å; S971-P1024 VanDerWaalsContact O-CG 3.25Å; S971-P1024 WeakPolarHBondContact O-CG 3.48Å; S971-P1024 VanDerWaalsContact O-N 3.09Å; S971-Y1054 WeakPolarHBondContact CA-O 3.42Å; S971-D1056 VanDerWaalsContact CB-CG 3.43Å; S971-D1056 WeakPolarHBondContact CB-OD1 3.44Å; S971-D1056 PolarHBondContact OG-OD1 2.89Å |
| 972 | T | 69 | Low | 74.4 | Confident | 66 Ų | 66 | 57.3 Ų | 57.3 | 41% | 0.405 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.5 | 16.6 | 178.4 | 65.6 | 0 | 0 | 0 | 0 | 114.6 | R970 K1020 S1021 L1022 P1024 | R970-T972 PolarHBondContact O-N 2.89Å; T972-K1020 CarbonylContact O-C 3.57Å; T972-S1021 WeakPolarHBondContact O-CA 3.15Å; T972-S1021 PolarHBondContact O-N 2.86Å; T972-L1022 WeakPolarHBondContact CA-O 3.4Å; T972-L1022 WeakPolarHBondContact CB-O 3.24Å; T972-L1022 VanDerWaalsContact CG2-O 3.22Å; T972-L1022 WeakPolarHBondContact CG2-O 3.36Å; T972-L1022 PolarHBondContact O-N 2.85Å; T972-P1024 HydrophobicContact CG2-CG 4.11Å |
| 973 | Q | 70.5 | Confident | 73.2 | Confident | 32 Ų | 32 | 62.1 Ų | 62.1 | 15% | 0.15 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 138.9 | -176.8 | -171.9 | -176.9 | -6.1 | 0 | 0 | 111.9 | T969 R970 I1019 K1020 | T969-Q973 CarbonylContact C-O 3.58Å; R970-Q973 HydrophobicContact CB-CB 4.03Å; R970-Q973 HydrophobicContact CG-CB 4.4Å; R970-Q973 PolarHBondContact N-O 2.9Å; R970-Q973 PolarHBondContact O-N 2.86Å; Q973-I1019 CarbonylContact C-O 3.58Å; Q973-I1019 WeakPolarHBondContact CA-O 3.34Å; Q973-I1019 WeakPolarHBondContact CG-O 3.3Å; Q973-K1020 HydrophobicContact CG-CB 4.47Å; Q973-K1020 HydrophobicContact CG-CG 3.79Å |
| 974 | L | 77 | Confident | 71.9 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 128.3 | 177.2 | -88 | 157.9 | 0 | 0 | 0 | 110.3 | F966 E968 T969 I996 I1019 L1022 Y1028 A1051 A1053 | F966-L974 HydrophobicContact CB-CD2 4.36Å; F966-L974 HydrophobicContact CD1-CB 4.42Å; F966-L974 HydrophobicContact CD1-CD2 3.57Å; F966-L974 HydrophobicContact CE1-CD2 3.96Å; F966-L974 HydrophobicContact CG-CD2 4.09Å; E968-L974 CarbonylContact O-C 3.44Å; E968-L974 WeakPolarHBondContact O-CA 3.41Å; T969-L974 HydrophobicContact CG2-CD2 3.4Å; L974-I996 HydrophobicContact CD1-CD1 4.22Å; L974-I1019 PolarHBondContact N-O 2.92Å; L974-I1019 WeakPolarHBondContact O-CA 3.29Å; L974-I1019 VanDerWaalsContact O-CB 3.32Å; L974-I1019 WeakPolarHBondContact O-CB 3.34Å; L974-I1019 PolarHBondContact O-N 2.84Å; L974-L1022 HydrophobicContact CB-CD1 3.64Å; L974-L1022 HydrophobicContact CD1-CD1 3.43Å; L974-L1022 VanDerWaalsContact CD1-CD1 3.43Å; L974-L1022 HydrophobicContact CG-CD1 3.8Å; L974-Y1028 HydrophobicContact CD1-CD2 4.2Å; L974-Y1028 HydrophobicContact CD1-CG 4.33Å; L974-A1051 HydrophobicContact CD1-CB 3.97Å; L974-A1051 HydrophobicContact CD2-CB 3.5Å; L974-A1051 HydrophobicContact CG-CB 4.44Å; L974-A1053 HydrophobicContact CD1-CB 4.44Å |
| 975 | R | 81.4 | Confident | 70.4 | Confident | 77 Ų | 77 | 63.4 Ų | 63.4 | 29% | 0.291 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 116.4 | 170.4 | 178.8 | 174.1 | -75.9 | 177.8 | -8.5 | 110.2 | F966 I967 E968 V977 V1016 C1017 D1018 | F966-R975 CarbonylContact C-O 3.58Å; F966-R975 VanDerWaalsContact CA-O 3.27Å; F966-R975 WeakPolarHBondContact CA-O 3.26Å; I967-R975 PolarHBondContact N-O 3.34Å; E968-R975 HydrophobicContact CB-CB 3.94Å; E968-R975 PolarHBondContact O-N 2.91Å; E968-R975 IonicContact OE2-CZ 2.81Å; E968-R975 IonicContact OE2-NH1 3.09Å; R975-V977 HydrophobicContact CG-CG2 4.18Å; R975-V1016 HydrophobicContact CG-CG2 4.13Å; R975-C1017 CarbonylContact C-O 3.52Å; R975-C1017 WeakPolarHBondContact CA-O 3.29Å; R975-D1018 IonicContact CZ-OD1 3.57Å; R975-D1018 IonicContact CZ-OD2 3Å; R975-D1018 IonicContact NE-OD1 3.27Å; R975-D1018 PolarHBondContact NE-OD1 2.85Å; R975-D1018 IonicContact NE-OD2 2.73Å; R975-D1018 PolarHBondContact NE-OD2 2.86Å; R975-D1018 VanDerWaalsContact NH2-CG 3.34Å; R975-D1018 IonicContact NH2-OD1 3.88Å; R975-D1018 PolarHBondContact NH2-OD1 2.85Å; R975-D1018 VanDerWaalsContact NH2-OD1 3.16Å; R975-D1018 IonicContact NH2-OD2 3.45Å; R975-D1018 PolarHBondContact NH2-OD2 2.86Å |
| 976 | V | 85.7 | Confident | 68.9 | Low | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 134 | -176.5 | -171.1 | 0 | 0 | 0 | 0 | 109.5 | V964 F966 W978 V994 V1016 C1017 I1019 V1030 V1032 I1049 | V964-V976 HydrophobicContact CG1-CG1 4.08Å; F966-V976 HydrophobicContact CD1-CB 4.42Å; F966-V976 HydrophobicContact CD1-CG2 3.78Å; F966-V976 HydrophobicContact CE1-CG2 3.68Å; V976-W978 HydrophobicContact CB-CZ3 4.4Å; V976-W978 HydrophobicContact CG1-CE3 4.17Å; V976-W978 HydrophobicContact CG1-CZ3 4.27Å; V976-W978 WeakPolarHBondContact O-CZ3 3.43Å; V976-V994 HydrophobicContact CB-CG1 4.25Å; V976-V994 HydrophobicContact CG1-CG1 4.19Å; V976-V994 HydrophobicContact CG2-CG1 4.19Å; V976-V1016 CarbonylContact O-C 3.55Å; V976-V1016 WeakPolarHBondContact O-CA 3.12Å; V976-C1017 HydrophobicContact CB-CB 4.4Å; V976-C1017 PolarHBondContact N-O 3.43Å; V976-C1017 PolarHBondContact O-N 2.86Å; V976-I1019 HydrophobicContact CG2-CD1 3.55Å; V976-I1019 HydrophobicContact CG2-CG1 4.28Å; V976-V1030 HydrophobicContact CB-CG1 4.47Å; V976-V1030 HydrophobicContact CG1-CG1 3.75Å; V976-V1030 HydrophobicContact CG2-CG1 3.89Å; V976-V1030 HydrophobicContact CG2-CG2 4.49Å; V976-V1032 HydrophobicContact CG1-CG2 4.12Å; V976-I1049 HydrophobicContact CG1-CD1 4.47Å |
| 977 | V | 88.1 | Confident | 68 | Low | 25 Ų | 25 | 60.1 Ų | 60.1 | 15% | 0.152 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 145.6 | -175.3 | -163.8 | 0 | 0 | 0 | 0 | 109.7 | V964 T965 I967 R975 N1015 V1016 | V964-V977 CarbonylContact C-O 3.59Å; V964-V977 WeakPolarHBondContact CA-O 3.43Å; T965-V977 PolarHBondContact N-O 2.91Å; T965-V977 PolarHBondContact O-N 2.88Å; T965-V977 VanDerWaalsContact O-O 3.09Å; I967-V977 HydrophobicContact CB-CG2 3.99Å; I967-V977 HydrophobicContact CD1-CB 3.76Å; I967-V977 HydrophobicContact CD1-CG1 3.91Å; I967-V977 HydrophobicContact CD1-CG2 3.29Å; I967-V977 HydrophobicContact CG1-CB 3.99Å; I967-V977 HydrophobicContact CG1-CG2 3.39Å; R975-V977 HydrophobicContact CG-CG2 4.18Å; V977-N1015 WeakPolarHBondContact CA-O 3.33Å; V977-N1015 VanDerWaalsContact CG1-O 3.3Å; V977-N1015 WeakPolarHBondContact CG1-O 3.16Å; V977-V1016 HydrophobicContact CB-CG2 4.21Å; V977-V1016 HydrophobicContact CG1-CG2 3.98Å; V977-V1016 HydrophobicContact CG2-CG2 3.38Å |
| 978 | W | 88.6 | Confident | 68 | Low | 7 Ų | 7 | 58.4 Ų | 58.4 | 3% | 0.027 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 165.2 | -177.2 | 55.1 | 89.9 | 0 | 0 | 0 | 111.2 | P961 V964 V976 F992 V994 I1011 N1015 C1017 V1032 | P961-W978 HydrophobicContact CB-CB 3.92Å; P961-W978 HydrophobicContact CB-CG 3.96Å; V964-W978 HydrophobicContact CB-CB 4.36Å; V964-W978 HydrophobicContact CG1-CB 4.36Å; V964-W978 HydrophobicContact CG2-CB 3.91Å; V976-W978 HydrophobicContact CB-CZ3 4.4Å; V976-W978 HydrophobicContact CG1-CE3 4.17Å; V976-W978 HydrophobicContact CG1-CZ3 4.27Å; V976-W978 WeakPolarHBondContact O-CZ3 3.43Å; W978-F992 AromaticContact CD1-CD1 3.76Å; W978-F992 AromaticContact CD1-CE1 3.7Å; W978-F992 AromaticContact CD1-CZ 3.98Å; W978-F992 AromaticContact CE2-CD2 3.77Å; W978-F992 AromaticContact CE2-CG 3.58Å; W978-F992 HydrophobicContact CH2-CB 4.43Å; W978-F992 HydrophobicContact CZ2-CB 3.47Å; W978-F992 VanDerWaalsContact CZ2-CB 3.47Å; W978-F992 AromaticContact CZ2-CD2 3.8Å; W978-F992 HydrophobicContact CZ2-CD2 3.8Å; W978-F992 AromaticContact CZ2-CG 3.73Å; W978-F992 HydrophobicContact CZ2-CG 3.73Å; W978-F992 AromaticContact NE1-CD1 3.17Å; W978-F992 AromaticContact NE1-CD2 3.16Å; W978-F992 AromaticContact NE1-CE1 3.39Å; W978-F992 AromaticContact NE1-CE2 3.4Å; W978-F992 AromaticContact NE1-CG 3.05Å; W978-F992 AromaticContact NE1-CZ 3.51Å; W978-V994 HydrophobicContact CE3-CG2 4.34Å; W978-V994 HydrophobicContact CH2-CG2 3.42Å; W978-V994 VanDerWaalsContact CH2-CG2 3.42Å; W978-V994 HydrophobicContact CZ2-CG2 4.32Å; W978-V994 HydrophobicContact CZ3-CG2 3.43Å; W978-V994 VanDerWaalsContact CZ3-CG2 3.43Å; W978-I1011 HydrophobicContact CH2-CB 4.15Å; W978-I1011 HydrophobicContact CH2-CG1 4.09Å; W978-I1011 HydrophobicContact CH2-CG2 4.22Å; W978-I1011 HydrophobicContact CZ2-CB 4.21Å; W978-I1011 HydrophobicContact CZ2-CG2 4.18Å; W978-N1015 PolarHBondContact N-O 2.74Å; W978-N1015 VanDerWaalsContact N-O 3.11Å; W978-N1015 WeakPolarHBondContact O-CB 3.42Å; W978-C1017 HydrophobicContact CH2-CB 3.84Å; W978-C1017 HydrophobicContact CZ3-CB 3.79Å; W978-V1032 HydrophobicContact CD2-CG1 3.93Å; W978-V1032 HydrophobicContact CD2-CG2 4.22Å; W978-V1032 HydrophobicContact CE3-CG1 4.17Å; W978-V1032 HydrophobicContact CE3-CG2 3.78Å; W978-V1032 HydrophobicContact CG-CG1 4.34Å; W978-V1032 HydrophobicContact CZ2-CG1 4.43Å; W978-V1032 HydrophobicContact CZ3-CG2 4.27Å |
| 979 | M | 81.6 | Confident | 68.6 | Low | 93 Ų | 93 | 56.5 Ų | 56.5 | 46% | 0.458 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 142.7 | 168.1 | -72.3 | 179.8 | 63.8 | 0 | 0 | 110.3 | V962 N963 | V962-M979 HydrophobicContact CG2-CB 4.06Å; V962-M979 PolarHBondContact N-O 3.13Å; V962-M979 VanDerWaalsContact N-O 3.09Å; V962-M979 WeakPolarHBondContact O-CA 3.16Å; V962-M979 WeakPolarHBondContact O-CB 3.33Å; V962-M979 PolarHBondContact O-N 2.84Å; N963-M979 HydrophobicContact CB-CB 4.36Å; N963-M979 HydrophobicContact CB-CG 4.19Å; N963-M979 HydrophobicContact CB-SD 4.11Å; N963-M979 PolarHBondContact ND2-SD 2.89Å |
| 980 | P | 76.9 | Confident | 69.4 | Low | 59 Ų | 59 | 57.5 Ų | 57.5 | 38% | 0.383 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 145.2 | 167.7 | -18.3 | 30.8 | 0 | 0 | 0 | 110.5 | F992 | P980-F992 HydrophobicContact CB-CZ 4.44Å; P980-F992 HydrophobicContact CG-CZ 4.48Å |
| 981 | P | 73.3 | Confident | 70.4 | Confident | 18 Ų | 18 | 52 Ų | 52 | 12% | 0.117 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 134.8 | 176.9 | 23 | -31.8 | 0 | 0 | 0 | 112.5 | N959 E983 N984 I989 | N959-P981 HydrophobicContact CB-CB 3.92Å; P981-E983 PolarHBondContact O-N 2.86Å; P981-N984 WeakPolarHBondContact CB-ND2 3.38Å; P981-N984 HydrophobicContact CG-CB 4.35Å; P981-N984 WeakPolarHBondContact CG-ND2 3.4Å; P981-I989 HydrophobicContact CG-CD1 3.79Å |
| 982 | E | 60.5 | Low | 71.5 | Confident | 186 Ų | 186 | 51.3 Ų | 51.3 | 87% | 0.869 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -65.6 | -31.6 | -174.3 | -80.6 | -176.8 | 155.3 | 0 | 0 | 114.2 | ||
| 983 | E | 55 | Low | 72.3 | Confident | 161 Ų | 161 | 48.5 Ų | 48.5 | 75% | 0.752 | 26% | 0.255 | S | S | * | . | trans | -125.3 | 95.2 | 178.9 | -72.4 | -170.9 | 166.3 | 0 | 0 | 110.2 | N959 P981 | N959-E983 PolarHBondContact ND2-O 2.86Å; P981-E983 PolarHBondContact O-N 2.86Å | ||
| 984 | N | 53.9 | Low | 73.1 | Confident | 30 Ų | 30 | 47 Ų | 47 | 16% | 0.16 | 25% | 0.248 | C | C | . | . | trans | -144.9 | 56.4 | 168.6 | -93.1 | -28.2 | 0 | 0 | 0 | 110.5 | N959 P981 A986 F987 I989 | N959-N984 WeakPolarHBondContact CB-ND2 3.29Å; N959-N984 PolarHBondContact N-ND2 2.91Å; N959-N984 VanDerWaalsContact N-ND2 3.12Å; N959-N984 PolarHBondContact N-OD1 2.82Å; N959-N984 PolarHBondContact ND2-OD1 3.07Å; N959-N984 PolarHBondContact O-ND2 2.92Å; P981-N984 WeakPolarHBondContact CB-ND2 3.38Å; P981-N984 HydrophobicContact CG-CB 4.35Å; P981-N984 WeakPolarHBondContact CG-ND2 3.4Å; N984-A986 PolarHBondContact O-N 3.46Å; N984-F987 PolarHBondContact O-N 3.14Å; N984-I989 HydrophobicContact CB-CD1 3.77Å; N984-I989 WeakPolarHBondContact ND2-CD1 3.23Å | ||
| 985 | S | 49.8 | Very low | 73.5 | Confident | 106 Ų | 106 | 47 Ų | 47 | 74% | 0.741 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -6.5 | 173.1 | 55.3 | 0 | 0 | 0 | 0 | 113.7 | R900 | R900-S985 VanDerWaalsContact NH1-C 3.31Å; R900-S985 PolarHBondContact NH1-OG 3.37Å; R900-S985 PolarHBondContact NH2-O 3.39Å |
| 986 | A | 53.6 | Low | 73.7 | Confident | 27 Ų | 27 | 43.6 Ų | 43.6 | 22% | 0.223 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -32.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | R900 N984 | R900-A986 VanDerWaalsContact NH1-CA 3.25Å; N984-A986 PolarHBondContact O-N 3.46Å |
| 987 | F | 57.7 | Low | 73.4 | Confident | 21 Ų | 21 | 44.5 Ų | 44.5 | 9% | 0.092 | 24% | 0.24 | C | C | . | . | trans | -128.5 | 128.5 | -157.1 | -61 | -65.6 | 0 | 0 | 0 | 108.1 | C924 S956 P958 N984 I989 D1036 Y1039 | C924-F987 HydrophobicContact CB-CE1 4.43Å; C924-F987 HydrophobicContact CB-CZ 3.75Å; S956-F987 WeakPolarHBondContact O-CZ 3.32Å; P958-F987 HydrophobicContact CB-CB 4.41Å; P958-F987 HydrophobicContact CB-CD2 3.91Å; P958-F987 HydrophobicContact CB-CE2 4.38Å; P958-F987 HydrophobicContact CB-CG 4.15Å; P958-F987 HydrophobicContact CG-CB 4.41Å; P958-F987 HydrophobicContact CG-CD1 4.15Å; P958-F987 HydrophobicContact CG-CD2 4.04Å; P958-F987 HydrophobicContact CG-CE1 4.42Å; P958-F987 HydrophobicContact CG-CE2 4.32Å; P958-F987 HydrophobicContact CG-CG 3.95Å; P958-F987 HydrophobicContact CG-CZ 4.5Å; N984-F987 PolarHBondContact O-N 3.14Å; F987-I989 VanDerWaalsContact C-N 3.27Å; F987-I989 HydrophobicContact CB-CD1 4.03Å; F987-I989 HydrophobicContact CB-CG1 3.77Å; F987-I989 PolarHBondContact O-N 2.91Å; F987-D1036 WeakPolarHBondContact CA-OD2 3.42Å; F987-D1036 HydrophobicContact CB-CB 4.4Å; F987-D1036 VanDerWaalsContact CB-OD2 3.29Å; F987-D1036 WeakPolarHBondContact CB-OD2 3.38Å; F987-D1036 WeakPolarHBondContact CD1-OD2 3.46Å; F987-Y1039 HydrophobicContact CD1-CD2 4.49Å | ||
| 988 | N | 67.5 | Low | 72.7 | Confident | 78 Ų | 78 | 44.9 Ų | 44.9 | 42% | 0.417 | 24% | 0.243 | S | C | . | . | trans | -84.3 | 77.1 | 178.2 | -169.1 | 14.4 | 0 | 0 | 0 | 108.6 | N990 D1036 S1037 T1038 | N988-N990 VanDerWaalsContact C-N 3.32Å; N988-N990 PolarHBondContact O-N 2.77Å; N988-N990 VanDerWaalsContact OD1-CG 3.29Å; N988-N990 PolarHBondContact OD1-ND2 3.2Å; N988-N990 PolarHBondContact OD1-OD1 2.92Å; N988-D1036 PolarHBondContact N-OD2 3.31Å; N988-S1037 PolarHBondContact O-N 3.12Å; N988-T1038 WeakPolarHBondContact CB-OG1 3.26Å; N988-T1038 PolarHBondContact ND2-OG1 2.77Å | ||
| 989 | I | 69.6 | Low | 71.7 | Confident | 25 Ų | 25 | 47.3 Ų | 47.3 | 13% | 0.128 | 26% | 0.259 | C | S | . | . | trans | -82.8 | 81.5 | -171.8 | -57.6 | 170.9 | 0 | 0 | 0 | 109.2 | P958 P981 N984 F987 F992 | P958-I989 HydrophobicContact CB-CD1 4.02Å; P981-I989 HydrophobicContact CG-CD1 3.79Å; N984-I989 HydrophobicContact CB-CD1 3.77Å; N984-I989 WeakPolarHBondContact ND2-CD1 3.23Å; F987-I989 VanDerWaalsContact C-N 3.27Å; F987-I989 HydrophobicContact CB-CD1 4.03Å; F987-I989 HydrophobicContact CB-CG1 3.77Å; F987-I989 PolarHBondContact O-N 2.91Å; I989-F992 HydrophobicContact CG2-CD1 4.31Å; I989-F992 HydrophobicContact CG2-CE1 3.67Å; I989-F992 HydrophobicContact CG2-CZ 3.88Å | ||
| 990 | N | 74.2 | Confident | 71.1 | Confident | 53 Ų | 53 | 50.1 Ų | 50.1 | 28% | 0.283 | 27% | 0.269 | S | S | . | . | trans | -100.5 | -5.3 | 177.2 | -56.9 | -8.3 | 0 | 0 | 0 | 111.6 | N988 C1012 H1013 | N988-N990 VanDerWaalsContact C-N 3.32Å; N988-N990 PolarHBondContact O-N 2.77Å; N988-N990 VanDerWaalsContact OD1-CG 3.29Å; N988-N990 PolarHBondContact OD1-ND2 3.2Å; N988-N990 PolarHBondContact OD1-OD1 2.92Å; N990-C1012 CarbonylContact O-C 3.56Å; N990-C1012 WeakPolarHBondContact O-CA 3.44Å; N990-H1013 PolarHBondContact O-N 3.01Å | ||
| 991 | C | 80 | Confident | 70.1 | Confident | 10 Ų | 10 | 49.5 Ų | 49.5 | 7% | 0.068 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 156.5 | -175.6 | -65.6 | 0 | 0 | 0 | 0 | 111.1 | I1011 C1012 F1035 | C991-I1011 CarbonylContact C-O 3.6Å; C991-I1011 WeakPolarHBondContact CA-O 3.12Å; C991-C1012 HydrophobicContact CB-CB 4.12Å; C991-C1012 WeakPolarHBondContact CB-SG 3.49Å; C991-C1012 WeakPolarHBondContact SG-CB 3.49Å; C991-C1012 CovalentContact SG-SG 2.05Å; C991-C1012 PolarHBondContact SG-SG 2.83Å; C991-F1035 HydrophobicContact CB-CB 4.11Å; C991-F1035 HydrophobicContact CB-CD1 3.72Å; C991-F1035 HydrophobicContact CB-CG 4.4Å; C991-F1035 PolarHBondContact N-O 2.88Å; C991-F1035 CarbonylContact O-C 3.48Å; C991-F1035 WeakPolarHBondContact O-CA 3.49Å; C991-F1035 WeakPolarHBondContact O-CB 3.49Å; C991-F1035 PolarHBondContact O-N 3.25Å |
| 992 | F | 87.1 | Confident | 68.9 | Low | 3 Ų | 3 | 54.6 Ų | 54.6 | 1% | 0.013 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 148.6 | -176.3 | -57.9 | -86.5 | 0 | 0 | 0 | 110.3 | P961 W978 P980 I989 I1011 S1014 V1032 E1033 | P961-F992 HydrophobicContact CB-CD1 4.45Å; P961-F992 HydrophobicContact CB-CE1 4.36Å; P961-F992 HydrophobicContact CG-CD1 3.71Å; P961-F992 HydrophobicContact CG-CE1 3.95Å; W978-F992 AromaticContact CD1-CD1 3.76Å; W978-F992 AromaticContact CD1-CE1 3.7Å; W978-F992 AromaticContact CD1-CZ 3.98Å; W978-F992 AromaticContact CE2-CD2 3.77Å; W978-F992 AromaticContact CE2-CG 3.58Å; W978-F992 HydrophobicContact CH2-CB 4.43Å; W978-F992 HydrophobicContact CZ2-CB 3.47Å; W978-F992 VanDerWaalsContact CZ2-CB 3.47Å; W978-F992 AromaticContact CZ2-CD2 3.8Å; W978-F992 HydrophobicContact CZ2-CD2 3.8Å; W978-F992 AromaticContact CZ2-CG 3.73Å; W978-F992 HydrophobicContact CZ2-CG 3.73Å; W978-F992 AromaticContact NE1-CD1 3.17Å; W978-F992 AromaticContact NE1-CD2 3.16Å; W978-F992 AromaticContact NE1-CE1 3.39Å; W978-F992 AromaticContact NE1-CE2 3.4Å; W978-F992 AromaticContact NE1-CG 3.05Å; W978-F992 AromaticContact NE1-CZ 3.51Å; P980-F992 HydrophobicContact CB-CZ 4.44Å; P980-F992 HydrophobicContact CG-CZ 4.48Å; I989-F992 HydrophobicContact CG2-CD1 4.31Å; I989-F992 HydrophobicContact CG2-CE1 3.67Å; I989-F992 HydrophobicContact CG2-CZ 3.88Å; F992-I1011 PolarHBondContact N-O 3.05Å; F992-I1011 PolarHBondContact O-N 3.44Å; F992-S1014 WeakPolarHBondContact CD2-O 3.41Å; F992-V1032 HydrophobicContact CB-CG1 3.94Å; F992-V1032 HydrophobicContact CD1-CG1 4.43Å; F992-E1033 CarbonylContact C-O 3.48Å; F992-E1033 VanDerWaalsContact CA-O 3.3Å; F992-E1033 WeakPolarHBondContact CA-O 3.04Å |
| 993 | L | 86.6 | Confident | 67.9 | Low | 7 Ų | 7 | 55 Ų | 55 | 4% | 0.037 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 116 | 178.8 | -51.3 | 170.3 | 0 | 0 | 0 | 108.6 | Y995 F1009 N1010 V1032 E1033 F1035 R1042 | L993-Y995 HydrophobicContact CB-CE2 3.71Å; L993-F1009 WeakPolarHBondContact CA-O 3.32Å; L993-N1010 HydrophobicContact CD2-CB 4.24Å; L993-N1010 WeakPolarHBondContact CD2-OD1 3.26Å; L993-V1032 CarbonylContact O-C 3.59Å; L993-V1032 WeakPolarHBondContact O-CA 3.34Å; L993-E1033 HydrophobicContact CB-CB 4.35Å; L993-E1033 PolarHBondContact N-O 3.37Å; L993-E1033 PolarHBondContact O-N 3.02Å; L993-F1035 HydrophobicContact CD1-CB 4.34Å; L993-F1035 HydrophobicContact CD1-CD2 4.03Å; L993-F1035 HydrophobicContact CD1-CG 4.49Å; L993-F1035 HydrophobicContact CD2-CB 4.49Å; L993-F1035 HydrophobicContact CG-CB 4.07Å; L993-F1035 HydrophobicContact CG-CD2 4.5Å; L993-F1035 HydrophobicContact CG-CG 4.48Å; L993-R1042 HydrophobicContact CD1-CG 3.54Å |
| 994 | V | 87.4 | Confident | 67.5 | Low | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 126 | -179 | -175 | 0 | 0 | 0 | 0 | 109.1 | V976 W978 K1008 F1009 I1011 C1017 I1019 V1030 V1032 | V976-V994 HydrophobicContact CB-CG1 4.25Å; V976-V994 HydrophobicContact CG1-CG1 4.19Å; V976-V994 HydrophobicContact CG2-CG1 4.19Å; W978-V994 HydrophobicContact CE3-CG2 4.34Å; W978-V994 HydrophobicContact CH2-CG2 3.42Å; W978-V994 VanDerWaalsContact CH2-CG2 3.42Å; W978-V994 HydrophobicContact CZ2-CG2 4.32Å; W978-V994 HydrophobicContact CZ3-CG2 3.43Å; W978-V994 VanDerWaalsContact CZ3-CG2 3.43Å; V994-K1008 CarbonylContact O-C 3.59Å; V994-K1008 WeakPolarHBondContact O-CA 3.41Å; V994-F1009 HydrophobicContact CB-CB 4.29Å; V994-F1009 PolarHBondContact N-O 2.96Å; V994-F1009 PolarHBondContact O-N 2.88Å; V994-I1011 HydrophobicContact CG2-CG1 4.43Å; V994-C1017 HydrophobicContact CB-CB 4.31Å; V994-C1017 HydrophobicContact CG1-CB 4.38Å; V994-C1017 HydrophobicContact CG2-CB 3.7Å; V994-I1019 HydrophobicContact CG1-CD1 4.06Å; V994-V1030 HydrophobicContact CG1-CG1 3.89Å; V994-V1032 HydrophobicContact CB-CG2 4.48Å; V994-V1032 HydrophobicContact CG1-CG2 4.24Å; V994-V1032 HydrophobicContact CG2-CG1 4.07Å; V994-V1032 HydrophobicContact CG2-CG2 4.04Å |
| 995 | Y | 85.1 | Confident | 67.3 | Low | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.008 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 133.8 | 178.3 | -61 | -95.6 | 0 | 0 | 0 | 109.9 | L993 F1006 Q1007 K1008 V1030 Y1031 E1033 R1042 E1770 | L993-Y995 HydrophobicContact CB-CE2 3.71Å; Y995-F1006 HydrophobicContact CD1-CB 3.8Å; Y995-F1006 HydrophobicContact CD1-CG 4.29Å; Y995-F1006 HydrophobicContact CG-CB 4.39Å; Y995-Q1007 WeakPolarHBondContact CA-O 3.26Å; Y995-K1008 HydrophobicContact CD1-CB 4.29Å; Y995-K1008 HydrophobicContact CD1-CG 4.37Å; Y995-K1008 HydrophobicContact CE1-CB 4.28Å; Y995-K1008 HydrophobicContact CE1-CD 3.85Å; Y995-K1008 HydrophobicContact CE1-CG 4.01Å; Y995-K1008 PolarHBondContact OH-NZ 2.99Å; Y995-V1030 VanDerWaalsContact O-CA 3.23Å; Y995-V1030 WeakPolarHBondContact O-CA 3.49Å; Y995-V1030 WeakPolarHBondContact O-CG1 3.41Å; Y995-Y1031 VanDerWaalsContact CB-CZ 3.49Å; Y995-Y1031 AromaticContact CD2-CD2 3.85Å; Y995-Y1031 HydrophobicContact CD2-CD2 3.85Å; Y995-Y1031 AromaticContact CD2-CE2 3.29Å; Y995-Y1031 HydrophobicContact CD2-CE2 3.29Å; Y995-Y1031 AromaticContact CD2-CZ 3.71Å; Y995-Y1031 AromaticContact CE2-CE2 3.88Å; Y995-Y1031 HydrophobicContact CE2-CE2 3.88Å; Y995-Y1031 HydrophobicContact CG-CD2 4.41Å; Y995-Y1031 HydrophobicContact CG-CE1 4.21Å; Y995-Y1031 AromaticContact CG-CE2 3.69Å; Y995-Y1031 HydrophobicContact CG-CE2 3.69Å; Y995-Y1031 AromaticContact CG-CZ 3.57Å; Y995-Y1031 PolarHBondContact N-O 2.98Å; Y995-Y1031 PolarHBondContact O-N 2.98Å; Y995-Y1031 VanDerWaalsContact O-N 3.13Å; Y995-E1033 HydrophobicContact CD2-CG 4.43Å; Y995-E1033 HydrophobicContact CE2-CB 4.32Å; Y995-E1033 VanDerWaalsContact CE2-CD 3.43Å; Y995-E1033 HydrophobicContact CE2-CG 3.84Å; Y995-E1033 WeakPolarHBondContact CE2-OE2 3.46Å; Y995-E1033 PolarHBondContact OH-OE2 2.7Å; Y995-R1042 PolarHBondContact OH-NH1 2.76Å; Y995-E1770 VanDerWaalsContact CE1-OE1 3.23Å; Y995-E1770 WeakPolarHBondContact CE1-OE1 2.86Å; Y995-E1770 PolarHBondContact OH-OE1 2.88Å |
| 996 | I | 85.5 | Confident | 67.8 | Low | 4 Ų | 4 | 54.9 Ų | 54.9 | 2% | 0.021 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 138.5 | 175.2 | -174.8 | 164.9 | 0 | 0 | 0 | 111.2 | L974 F1006 Q1007 F1009 I1019 L1022 Y1028 V1030 | L974-I996 HydrophobicContact CD1-CD1 4.22Å; I996-F1006 WeakPolarHBondContact O-CA 3.49Å; I996-Q1007 HydrophobicContact CG2-CB 3.67Å; I996-Q1007 PolarHBondContact N-O 3.49Å; I996-Q1007 PolarHBondContact O-N 3.2Å; I996-F1009 HydrophobicContact CG2-CE2 3.98Å; I996-I1019 HydrophobicContact CB-CD1 3.96Å; I996-I1019 HydrophobicContact CD1-CD1 3.89Å; I996-I1019 HydrophobicContact CD1-CG2 3.97Å; I996-I1019 HydrophobicContact CG2-CD1 3.97Å; I996-I1019 HydrophobicContact CG2-CG2 3.97Å; I996-L1022 HydrophobicContact CD1-CD1 3.71Å; I996-L1022 HydrophobicContact CD1-CD2 3.95Å; I996-Y1028 HydrophobicContact CD1-CD1 3.83Å; I996-Y1028 HydrophobicContact CD1-CG 4Å; I996-Y1028 HydrophobicContact CG1-CD1 3.7Å; I996-Y1028 HydrophobicContact CG1-CG 4.22Å; I996-V1030 HydrophobicContact CB-CG2 3.75Å; I996-V1030 HydrophobicContact CD1-CG2 3.66Å; I996-V1030 HydrophobicContact CG1-CG2 3.53Å |
| 997 | H | 79.2 | Confident | 68.6 | Low | 19 Ų | 19 | 58.3 Ų | 58.3 | 9% | 0.088 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 157.7 | 169.3 | 73.7 | 116.4 | 0 | 0 | 0 | 111.1 | T999 T1001 F1006 Y1028 T1029 | H997-T999 PolarHBondContact O-N 3.27Å; H997-T1001 PolarHBondContact CE1-O 2.82Å; H997-T1001 VanDerWaalsContact CE1-O 3.25Å; H997-T1001 PolarHBondContact ND1-O 3.23Å; H997-T1001 PolarHBondContact ND1-OG1 2.85Å; H997-F1006 HydrophobicContact CB-CD1 3.81Å; H997-F1006 HydrophobicContact CB-CE1 4.06Å; H997-F1006 HydrophobicContact CB-CG 4.49Å; H997-F1006 AromaticContact CD2-CD1 3.48Å; H997-F1006 VanDerWaalsContact CD2-CD1 3.48Å; H997-F1006 WeakPolarHBondContact CD2-CD1 3.45Å; H997-F1006 AromaticContact CD2-CE1 3.04Å; H997-F1006 WeakPolarHBondContact CD2-CE1 3.41Å; H997-F1006 AromaticContact CG-CD1 3.78Å; H997-F1006 AromaticContact CG-CE1 3.52Å; H997-F1006 AromaticContact NE2-CE1 3.46Å; H997-F1006 WeakPolarHBondContact NE2-CE1 3.38Å; H997-Y1028 CarbonylContact O-C 3.45Å; H997-Y1028 WeakPolarHBondContact O-CA 3.41Å; H997-T1029 PolarHBondContact CD2-O 2.97Å; H997-T1029 PolarHBondContact N-O 2.91Å; H997-T1029 WeakPolarHBondContact NE2-CB 3.19Å; H997-T1029 PolarHBondContact O-N 3.08Å |
| 998 | P | 74.1 | Confident | 69.7 | Low | 33 Ų | 33 | 60.4 Ų | 60.4 | 21% | 0.214 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 132.1 | 171.2 | -15.2 | 28.4 | 0 | 0 | 0 | 110.9 | F1000 T1001 V1026 Y1028 | P998-F1000 HydrophobicContact CB-CD1 3.79Å; P998-F1000 HydrophobicContact CB-CE1 3.29Å; P998-F1000 HydrophobicContact CB-CE2 4.11Å; P998-F1000 HydrophobicContact CB-CG 4.4Å; P998-F1000 HydrophobicContact CB-CZ 3.47Å; P998-F1000 VanDerWaalsContact CB-CZ 3.47Å; P998-F1000 HydrophobicContact CG-CE1 4.32Å; P998-F1000 HydrophobicContact CG-CZ 4.08Å; P998-F1000 PolarHBondContact O-N 2.85Å; P998-T1001 PolarHBondContact O-N 3.22Å; P998-T1001 PolarHBondContact O-OG1 2.69Å; P998-V1026 HydrophobicContact CB-CG1 4.2Å; P998-Y1028 HydrophobicContact CB-CE1 4.31Å; P998-Y1028 HydrophobicContact CG-CD1 4.38Å; P998-Y1028 HydrophobicContact CG-CE1 3.83Å |
| 999 | T | 68.2 | Low | 70.2 | Confident | 59 Ų | 59 | 59.3 Ų | 59.3 | 36% | 0.362 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -16.8 | -171.9 | -48.8 | 0 | 0 | 0 | 0 | 114.3 | H997 N1027 T1029 T1050 | H997-T999 PolarHBondContact O-N 3.27Å; T999-N1027 WeakPolarHBondContact CB-O 2.98Å; T999-N1027 PolarHBondContact N-O 2.85Å; T999-N1027 WeakPolarHBondContact OG1-CB 3.32Å; T999-N1027 PolarHBondContact OG1-O 3.01Å; T999-T1029 WeakPolarHBondContact CA-OG1 3.21Å; T999-T1029 VanDerWaalsContact CB-OG1 3.31Å; T999-T1029 WeakPolarHBondContact CB-OG1 3.5Å; T999-T1029 WeakPolarHBondContact CG2-OG1 3.22Å; T999-T1029 PolarHBondContact OG1-N 3.44Å; T999-T1029 PolarHBondContact OG1-OG1 2.81Å; T999-T1050 HydrophobicContact CG2-CG2 3.99Å; T999-T1050 WeakPolarHBondContact OG1-CG2 3.49Å |
| 1000 | F | 67.5 | Low | 71 | Confident | 152 Ų | 152 | 63.3 Ų | 63.3 | 67% | 0.667 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -0.3 | 177.7 | 59.1 | -98.1 | 0 | 0 | 0 | 114.6 | P998 V1026 | P998-F1000 HydrophobicContact CB-CD1 3.79Å; P998-F1000 HydrophobicContact CB-CE1 3.29Å; P998-F1000 HydrophobicContact CB-CE2 4.11Å; P998-F1000 HydrophobicContact CB-CG 4.4Å; P998-F1000 HydrophobicContact CB-CZ 3.47Å; P998-F1000 VanDerWaalsContact CB-CZ 3.47Å; P998-F1000 HydrophobicContact CG-CE1 4.32Å; P998-F1000 HydrophobicContact CG-CZ 4.08Å; P998-F1000 PolarHBondContact O-N 2.85Å; F1000-V1026 HydrophobicContact CD1-CG1 4.42Å; F1000-V1026 HydrophobicContact CE1-CG1 3.76Å |
| 1001 | T | 55.4 | Low | 71.4 | Confident | 45 Ų | 45 | 62.4 Ų | 62.4 | 28% | 0.276 | 32% | 0.317 | S | S | . | . | trans | -103.1 | 115.9 | 177.4 | 51.5 | 0 | 0 | 0 | 0 | 110.8 | H997 P998 | H997-T1001 PolarHBondContact CE1-O 2.82Å; H997-T1001 VanDerWaalsContact CE1-O 3.25Å; H997-T1001 PolarHBondContact ND1-O 3.23Å; H997-T1001 PolarHBondContact ND1-OG1 2.85Å; P998-T1001 PolarHBondContact O-N 3.22Å; P998-T1001 PolarHBondContact O-OG1 2.69Å | ||
| 1002 | V | 48.7 | Very low | 71.5 | Confident | 126 Ų | 126 | 65 Ų | 65 | 76% | 0.764 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -81.6 | -25.6 | -174.6 | -167.6 | 0 | 0 | 0 | 0 | 111.7 | ||
| 1003 | F | 39.5 | Very low | 71.1 | Confident | 195 Ų | 195 | 72.6 Ų | 72.6 | 86% | 0.855 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -156.5 | 100 | 175.6 | -69.2 | -80.4 | 0 | 0 | 0 | 110 | ||
| 1004 | G | 46.4 | Very low | 70.8 | Confident | 35 Ų | 35 | 74.3 Ų | 74.3 | 36% | 0.361 | 38% | 0.382 | S | S | . | . | S | Bend | trans | 177.3 | 125.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | F1006 | G1004-F1006 PolarHBondContact O-N 3.13Š|
| 1005 | H | 50.4 | Low | 70.6 | Confident | 193 Ų | 193 | 77.4 Ų | 77.4 | 89% | 0.894 | 40% | 0.399 | S | S | * | . | trans | 22.4 | 82.6 | 170.3 | -78.1 | -76.8 | 0 | 0 | 0 | 116.5 | Q1007 | H1005-Q1007 PolarHBondContact O-N 2.93Š| ||
| 1006 | F | 60.5 | Low | 70.7 | Confident | 65 Ų | 65 | 79.8 Ų | 79.8 | 29% | 0.285 | 41% | 0.413 | S | S | . | . | trans | -63.5 | 131.8 | 162.4 | -59.6 | -92.3 | 0 | 0 | 0 | 109.3 | Y995 I996 H997 G1004 K1008 Y1031 | Y995-F1006 HydrophobicContact CD1-CB 3.8Å; Y995-F1006 HydrophobicContact CD1-CG 4.29Å; Y995-F1006 HydrophobicContact CG-CB 4.39Å; I996-F1006 WeakPolarHBondContact O-CA 3.49Å; H997-F1006 HydrophobicContact CB-CD1 3.81Å; H997-F1006 HydrophobicContact CB-CE1 4.06Å; H997-F1006 HydrophobicContact CB-CG 4.49Å; H997-F1006 AromaticContact CD2-CD1 3.48Å; H997-F1006 VanDerWaalsContact CD2-CD1 3.48Å; H997-F1006 WeakPolarHBondContact CD2-CD1 3.45Å; H997-F1006 AromaticContact CD2-CE1 3.04Å; H997-F1006 WeakPolarHBondContact CD2-CE1 3.41Å; H997-F1006 AromaticContact CG-CD1 3.78Å; H997-F1006 AromaticContact CG-CE1 3.52Å; H997-F1006 AromaticContact NE2-CE1 3.46Å; H997-F1006 WeakPolarHBondContact NE2-CE1 3.38Å; G1004-F1006 PolarHBondContact O-N 3.13Å; F1006-K1008 PolarHBondContact O-N 3.04Å; F1006-Y1031 AromaticContact CD1-CE1 3.82Å; F1006-Y1031 HydrophobicContact CD1-CE1 3.82Å; F1006-Y1031 HydrophobicContact CE1-CD1 4.46Å; F1006-Y1031 AromaticContact CE1-CE1 3.5Å; F1006-Y1031 HydrophobicContact CE1-CE1 3.5Å; F1006-Y1031 VanDerWaalsContact CE1-CE1 3.5Å; F1006-Y1031 HydrophobicContact CZ-CE1 4.14Å | ||
| 1007 | Q | 69.8 | Low | 70.6 | Confident | 99 Ų | 99 | 79.7 Ų | 79.7 | 46% | 0.463 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 125.9 | 161.8 | -83.1 | -179.9 | -6.7 | 0 | 0 | 107.9 | Y995 I996 H1005 F1009 | Y995-Q1007 WeakPolarHBondContact CA-O 3.26Å; I996-Q1007 HydrophobicContact CG2-CB 3.67Å; I996-Q1007 PolarHBondContact N-O 3.49Å; I996-Q1007 PolarHBondContact O-N 3.2Å; H1005-Q1007 PolarHBondContact O-N 2.93Å; Q1007-F1009 HydrophobicContact CB-CE2 3.87Å; Q1007-F1009 HydrophobicContact CB-CZ 4.31Å |
| 1008 | K | 80.2 | Confident | 70.8 | Confident | 65 Ų | 65 | 81.6 Ų | 81.6 | 28% | 0.283 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 133.2 | -175.3 | 179.4 | 178.2 | -177.8 | 159.2 | 0 | 110.8 | V994 Y995 F1006 N1010 E1770 | V994-K1008 CarbonylContact O-C 3.59Å; V994-K1008 WeakPolarHBondContact O-CA 3.41Å; Y995-K1008 HydrophobicContact CD1-CB 4.29Å; Y995-K1008 HydrophobicContact CD1-CG 4.37Å; Y995-K1008 HydrophobicContact CE1-CB 4.28Å; Y995-K1008 HydrophobicContact CE1-CD 3.85Å; Y995-K1008 HydrophobicContact CE1-CG 4.01Å; Y995-K1008 PolarHBondContact OH-NZ 2.99Å; F1006-K1008 PolarHBondContact O-N 3.04Å; K1008-N1010 VanDerWaalsContact CE-OD1 3.27Å; K1008-N1010 WeakPolarHBondContact CE-OD1 3.32Å; K1008-E1770 IonicContact NZ-OE1 3.15Å; K1008-E1770 PolarHBondContact NZ-OE1 3.19Å |
| 1009 | F | 79.7 | Confident | 71.1 | Confident | 56 Ų | 56 | 80 Ų | 80 | 25% | 0.246 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 125.8 | 175.8 | -57.4 | -94.3 | 0 | 0 | 0 | 110 | L993 V994 I996 Q1007 C1017 I1019 | L993-F1009 WeakPolarHBondContact CA-O 3.32Å; V994-F1009 HydrophobicContact CB-CB 4.29Å; V994-F1009 PolarHBondContact N-O 2.96Å; V994-F1009 PolarHBondContact O-N 2.88Å; I996-F1009 HydrophobicContact CG2-CE2 3.98Å; Q1007-F1009 HydrophobicContact CB-CE2 3.87Å; Q1007-F1009 HydrophobicContact CB-CZ 4.31Å; F1009-C1017 WeakPolarHBondContact CB-SG 3.31Å; F1009-I1019 HydrophobicContact CD2-CD1 4.23Å; F1009-I1019 HydrophobicContact CD2-CG1 4.01Å; F1009-I1019 HydrophobicContact CE2-CB 4.28Å; F1009-I1019 HydrophobicContact CE2-CD1 4.11Å; F1009-I1019 HydrophobicContact CE2-CG1 3.79Å; F1009-I1019 HydrophobicContact CE2-CG2 3.78Å; F1009-I1019 HydrophobicContact CZ-CB 4.32Å; F1009-I1019 HydrophobicContact CZ-CG1 4.2Å; F1009-I1019 HydrophobicContact CZ-CG2 3.8Å |
| 1010 | N | 84.6 | Confident | 71.4 | Confident | 108 Ų | 108 | 83.6 Ų | 83.6 | 58% | 0.578 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 120.6 | 176.5 | -65.1 | -3.8 | 0 | 0 | 0 | 109.4 | L993 K1008 | L993-N1010 HydrophobicContact CD2-CB 4.24Å; L993-N1010 WeakPolarHBondContact CD2-OD1 3.26Å; K1008-N1010 VanDerWaalsContact CE-OD1 3.27Å; K1008-N1010 WeakPolarHBondContact CE-OD1 3.32Å |
| 1011 | I | 84.6 | Confident | 71.7 | Confident | 35 Ų | 35 | 81.4 Ų | 81.4 | 18% | 0.179 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 124.5 | -176.6 | -55.7 | -60.2 | 0 | 0 | 0 | 108.9 | W978 C991 F992 V994 S1014 V1016 C1017 | W978-I1011 HydrophobicContact CH2-CB 4.15Å; W978-I1011 HydrophobicContact CH2-CG1 4.09Å; W978-I1011 HydrophobicContact CH2-CG2 4.22Å; W978-I1011 HydrophobicContact CZ2-CB 4.21Å; W978-I1011 HydrophobicContact CZ2-CG2 4.18Å; C991-I1011 CarbonylContact C-O 3.6Å; C991-I1011 WeakPolarHBondContact CA-O 3.12Å; F992-I1011 PolarHBondContact N-O 3.05Å; F992-I1011 PolarHBondContact O-N 3.44Å; V994-I1011 HydrophobicContact CG2-CG1 4.43Å; I1011-S1014 VanDerWaalsContact CG2-O 3.31Å; I1011-S1014 WeakPolarHBondContact CG2-O 3.42Å; I1011-V1016 WeakPolarHBondContact CG2-O 3.28Å; I1011-C1017 HydrophobicContact CD1-CB 4.19Å; I1011-C1017 HydrophobicContact CG1-CB 3.9Å |
| 1012 | C | 81.7 | Confident | 72.6 | Confident | 65 Ų | 65 | 79.7 Ų | 79.7 | 44% | 0.439 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 145.1 | 178.3 | -66.3 | 0 | 0 | 0 | 0 | 111.1 | N990 C991 S1014 | N990-C1012 CarbonylContact O-C 3.56Å; N990-C1012 WeakPolarHBondContact O-CA 3.44Å; C991-C1012 HydrophobicContact CB-CB 4.12Å; C991-C1012 WeakPolarHBondContact CB-SG 3.49Å; C991-C1012 WeakPolarHBondContact SG-CB 3.49Å; C991-C1012 CovalentContact SG-SG 2.05Å; C991-C1012 PolarHBondContact SG-SG 2.83Å; C1012-S1014 PolarHBondContact O-N 2.82Å; C1012-S1014 VanDerWaalsContact O-N 3.1Å |
| 1013 | H | 77.4 | Confident | 73.3 | Confident | 162 Ų | 162 | 77 Ų | 77 | 75% | 0.75 | 40% | 0.403 | S | S | * | . | S | Bend | trans | 54.2 | 23.5 | -176.8 | -48.3 | 99.5 | 0 | 0 | 0 | 113.9 | N990 | N990-H1013 PolarHBondContact O-N 3.01Š|
| 1014 | S | 80.4 | Confident | 74.3 | Confident | 43 Ų | 43 | 70.8 Ų | 70.8 | 30% | 0.301 | 38% | 0.382 | S | S | . | . | trans | -148.9 | 147.2 | -179.2 | 175.3 | 0 | 0 | 0 | 0 | 108.8 | F992 I1011 C1012 V1016 | F992-S1014 WeakPolarHBondContact CD2-O 3.41Å; I1011-S1014 VanDerWaalsContact CG2-O 3.31Å; I1011-S1014 WeakPolarHBondContact CG2-O 3.42Å; C1012-S1014 PolarHBondContact O-N 2.82Å; C1012-S1014 VanDerWaalsContact O-N 3.1Å; S1014-V1016 PolarHBondContact OG-N 2.95Å | ||
| 1015 | N | 84.5 | Confident | 75 | Confident | 65 Ų | 65 | 71.3 Ų | 71.3 | 35% | 0.348 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -109.1 | 20.8 | -178.5 | -47.5 | -13.4 | 0 | 0 | 0 | 110.5 | V977 W978 | V977-N1015 WeakPolarHBondContact CA-O 3.33Å; V977-N1015 VanDerWaalsContact CG1-O 3.3Å; V977-N1015 WeakPolarHBondContact CG1-O 3.16Å; W978-N1015 PolarHBondContact N-O 2.74Å; W978-N1015 VanDerWaalsContact N-O 3.11Å; W978-N1015 WeakPolarHBondContact O-CB 3.42Å |
| 1016 | V | 85.9 | Confident | 75.7 | Confident | 51 Ų | 51 | 63.9 Ų | 63.9 | 31% | 0.309 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 138.9 | -171.4 | 103.7 | 0 | 0 | 0 | 0 | 110.8 | R975 V976 V977 I1011 S1014 | R975-V1016 HydrophobicContact CG-CG2 4.13Å; V976-V1016 CarbonylContact O-C 3.55Å; V976-V1016 WeakPolarHBondContact O-CA 3.12Å; V977-V1016 HydrophobicContact CB-CG2 4.21Å; V977-V1016 HydrophobicContact CG1-CG2 3.98Å; V977-V1016 HydrophobicContact CG2-CG2 3.38Å; I1011-V1016 WeakPolarHBondContact CG2-O 3.28Å; S1014-V1016 PolarHBondContact OG-N 2.95Å |
| 1017 | C | 84.4 | Confident | 76.3 | Confident | 2 Ų | 2 | 64.5 Ų | 64.5 | 1% | 0.014 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 130.1 | 176.1 | -175.4 | 0 | 0 | 0 | 0 | 112.3 | R975 V976 W978 V994 F1009 I1011 | R975-C1017 CarbonylContact C-O 3.52Å; R975-C1017 WeakPolarHBondContact CA-O 3.29Å; V976-C1017 HydrophobicContact CB-CB 4.4Å; V976-C1017 PolarHBondContact N-O 3.43Å; V976-C1017 PolarHBondContact O-N 2.86Å; W978-C1017 HydrophobicContact CH2-CB 3.84Å; W978-C1017 HydrophobicContact CZ3-CB 3.79Å; V994-C1017 HydrophobicContact CB-CB 4.31Å; V994-C1017 HydrophobicContact CG1-CB 4.38Å; V994-C1017 HydrophobicContact CG2-CB 3.7Å; F1009-C1017 WeakPolarHBondContact CB-SG 3.31Å; I1011-C1017 HydrophobicContact CD1-CB 4.19Å; I1011-C1017 HydrophobicContact CG1-CB 3.9Å |
| 1018 | D | 82.1 | Confident | 76.7 | Confident | 60 Ų | 60 | 60.5 Ų | 60.5 | 32% | 0.321 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 112.4 | 175.7 | -82.9 | -49.4 | 0 | 0 | 0 | 112.3 | R975 | R975-D1018 IonicContact CZ-OD1 3.57Å; R975-D1018 IonicContact CZ-OD2 3Å; R975-D1018 IonicContact NE-OD1 3.27Å; R975-D1018 PolarHBondContact NE-OD1 2.85Å; R975-D1018 IonicContact NE-OD2 2.73Å; R975-D1018 PolarHBondContact NE-OD2 2.86Å; R975-D1018 VanDerWaalsContact NH2-CG 3.34Å; R975-D1018 IonicContact NH2-OD1 3.88Å; R975-D1018 PolarHBondContact NH2-OD1 2.85Å; R975-D1018 VanDerWaalsContact NH2-OD1 3.16Å; R975-D1018 IonicContact NH2-OD2 3.45Å; R975-D1018 PolarHBondContact NH2-OD2 2.86Å |
| 1019 | I | 81 | Confident | 76.8 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 116.3 | -177.8 | -53.6 | 178.5 | 0 | 0 | 0 | 109.7 | Q973 L974 V976 V994 I996 F1009 L1022 | Q973-I1019 CarbonylContact C-O 3.58Å; Q973-I1019 WeakPolarHBondContact CA-O 3.34Å; Q973-I1019 WeakPolarHBondContact CG-O 3.3Å; L974-I1019 PolarHBondContact N-O 2.92Å; L974-I1019 WeakPolarHBondContact O-CA 3.29Å; L974-I1019 VanDerWaalsContact O-CB 3.32Å; L974-I1019 WeakPolarHBondContact O-CB 3.34Å; L974-I1019 PolarHBondContact O-N 2.84Å; V976-I1019 HydrophobicContact CG2-CD1 3.55Å; V976-I1019 HydrophobicContact CG2-CG1 4.28Å; V994-I1019 HydrophobicContact CG1-CD1 4.06Å; I996-I1019 HydrophobicContact CB-CD1 3.96Å; I996-I1019 HydrophobicContact CD1-CD1 3.89Å; I996-I1019 HydrophobicContact CD1-CG2 3.97Å; I996-I1019 HydrophobicContact CG2-CD1 3.97Å; I996-I1019 HydrophobicContact CG2-CG2 3.97Å; F1009-I1019 HydrophobicContact CD2-CD1 4.23Å; F1009-I1019 HydrophobicContact CD2-CG1 4.01Å; F1009-I1019 HydrophobicContact CE2-CB 4.28Å; F1009-I1019 HydrophobicContact CE2-CD1 4.11Å; F1009-I1019 HydrophobicContact CE2-CG1 3.79Å; F1009-I1019 HydrophobicContact CE2-CG2 3.78Å; F1009-I1019 HydrophobicContact CZ-CB 4.32Å; F1009-I1019 HydrophobicContact CZ-CG1 4.2Å; F1009-I1019 HydrophobicContact CZ-CG2 3.8Å; I1019-L1022 HydrophobicContact CB-CD1 4.48Å; I1019-L1022 HydrophobicContact CG2-CD1 3.94Å; I1019-L1022 HydrophobicContact CG2-CD2 3.97Å; I1019-L1022 HydrophobicContact CG2-CG 4.2Å |
| 1020 | K | 75.1 | Confident | 77.1 | Confident | 133 Ų | 133 | 55.4 Ų | 55.4 | 58% | 0.578 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 166.6 | -177.5 | -64 | 175.2 | -177.7 | 177.3 | 0 | 111.7 | T972 Q973 | T972-K1020 CarbonylContact O-C 3.57Å; Q973-K1020 HydrophobicContact CG-CB 4.47Å; Q973-K1020 HydrophobicContact CG-CG 3.79Å |
| 1021 | S | 74.6 | Confident | 77.3 | Confident | 107 Ų | 107 | 51 Ų | 51 | 75% | 0.748 | 30% | 0.297 | S | S | * | . | S | Bend | trans | 69.3 | 40.4 | 174.7 | -52.2 | 0 | 0 | 0 | 0 | 116.3 | T972 | T972-S1021 WeakPolarHBondContact O-CA 3.15Å; T972-S1021 PolarHBondContact O-N 2.86Å |
| 1022 | L | 72.7 | Confident | 77.5 | Confident | 9 Ų | 9 | 49.3 Ų | 49.3 | 5% | 0.047 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -93.3 | 163.2 | 178.4 | -55.5 | 178.2 | 0 | 0 | 0 | 112.4 | T972 L974 I996 I1019 Y1028 | T972-L1022 WeakPolarHBondContact CA-O 3.4Å; T972-L1022 WeakPolarHBondContact CB-O 3.24Å; T972-L1022 VanDerWaalsContact CG2-O 3.22Å; T972-L1022 WeakPolarHBondContact CG2-O 3.36Å; T972-L1022 PolarHBondContact O-N 2.85Å; L974-L1022 HydrophobicContact CB-CD1 3.64Å; L974-L1022 HydrophobicContact CD1-CD1 3.43Å; L974-L1022 VanDerWaalsContact CD1-CD1 3.43Å; L974-L1022 HydrophobicContact CG-CD1 3.8Å; I996-L1022 HydrophobicContact CD1-CD1 3.71Å; I996-L1022 HydrophobicContact CD1-CD2 3.95Å; I1019-L1022 HydrophobicContact CB-CD1 4.48Å; I1019-L1022 HydrophobicContact CG2-CD1 3.94Å; I1019-L1022 HydrophobicContact CG2-CD2 3.97Å; I1019-L1022 HydrophobicContact CG2-CG 4.2Å; L1022-Y1028 HydrophobicContact CB-CE2 3.83Å; L1022-Y1028 HydrophobicContact CD2-CD1 4.27Å; L1022-Y1028 HydrophobicContact CD2-CE1 3.8Å; L1022-Y1028 HydrophobicContact CD2-CE2 4.47Å |
| 1023 | C | 64.1 | Low | 77.8 | Confident | 69 Ų | 69 | 47.1 Ų | 47.1 | 47% | 0.466 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -89.1 | 127.1 | 179.2 | -66.2 | 0 | 0 | 0 | 0 | 111.4 | S971 V1026 Y1028 A1053 | S971-C1023 CarbonylContact O-C 3.59Å; C1023-V1026 HydrophobicContact CB-CB 4.22Å; C1023-V1026 HydrophobicContact CB-CG2 3.73Å; C1023-V1026 WeakPolarHBondContact O-CB 3.47Å; C1023-V1026 PolarHBondContact O-N 2.98Å; C1023-Y1028 WeakPolarHBondContact CB-OH 3.25Å; C1023-Y1028 PolarHBondContact N-OH 2.84Å; C1023-A1053 WeakPolarHBondContact O-CB 3.19Å |
| 1024 | P | 59.6 | Low | 78.1 | Confident | 65 Ų | 65 | 39.4 Ų | 39.4 | 42% | 0.422 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | 141.4 | 179.3 | -14.8 | 26 | 0 | 0 | 0 | 112.6 | S971 T972 V1026 | S971-P1024 WeakPolarHBondContact O-CA 3.31Å; S971-P1024 WeakPolarHBondContact O-CB 3.45Å; S971-P1024 WeakPolarHBondContact O-CD 3.06Å; S971-P1024 VanDerWaalsContact O-CG 3.25Å; S971-P1024 WeakPolarHBondContact O-CG 3.48Å; S971-P1024 VanDerWaalsContact O-N 3.09Å; T972-P1024 HydrophobicContact CG2-CG 4.11Å; P1024-V1026 PolarHBondContact O-N 2.86Å |
| 1025 | G | 62.2 | Low | 78 | Confident | 45 Ų | 45 | 39.1 Ų | 39.1 | 46% | 0.464 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 1.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | A1053 | G1025-A1053 WeakPolarHBondContact CA-O 3.22Å; G1025-A1053 PolarHBondContact N-O 2.96Å |
| 1026 | V | 65.2 | Low | 77.6 | Confident | 37 Ų | 37 | 36 Ų | 36 | 22% | 0.224 | 21% | 0.213 | C | C | . | . | trans | -95 | 135.3 | -178.8 | 176.2 | 0 | 0 | 0 | 0 | 110.5 | P998 F1000 C1023 P1024 Y1028 A1053 | P998-V1026 HydrophobicContact CB-CG1 4.2Å; F1000-V1026 HydrophobicContact CD1-CG1 4.42Å; F1000-V1026 HydrophobicContact CE1-CG1 3.76Å; C1023-V1026 HydrophobicContact CB-CB 4.22Å; C1023-V1026 HydrophobicContact CB-CG2 3.73Å; C1023-V1026 WeakPolarHBondContact O-CB 3.47Å; C1023-V1026 PolarHBondContact O-N 2.98Å; P1024-V1026 PolarHBondContact O-N 2.86Å; V1026-Y1028 HydrophobicContact CB-CD2 4.38Å; V1026-Y1028 HydrophobicContact CB-CE2 3.84Å; V1026-Y1028 HydrophobicContact CG1-CD2 4.26Å; V1026-Y1028 HydrophobicContact CG1-CE2 3.88Å; V1026-Y1028 WeakPolarHBondContact O-CD2 3.23Å; V1026-Y1028 PolarHBondContact O-N 3.34Å; V1026-A1053 PolarHBondContact O-N 2.8Å | ||
| 1027 | N | 73.7 | Confident | 76.5 | Confident | 78 Ų | 78 | 36.4 Ų | 36.4 | 42% | 0.417 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 120.8 | 169.4 | -67.9 | -3.9 | 0 | 0 | 0 | 108.6 | T999 T1050 V1052 | T999-N1027 WeakPolarHBondContact CB-O 2.98Å; T999-N1027 PolarHBondContact N-O 2.85Å; T999-N1027 WeakPolarHBondContact OG1-CB 3.32Å; T999-N1027 PolarHBondContact OG1-O 3.01Å; N1027-T1050 HydrophobicContact CB-CG2 4.01Å; N1027-V1052 WeakPolarHBondContact OD1-CG2 3.27Å |
| 1028 | Y | 77.2 | Confident | 75.4 | Confident | 16 Ų | 16 | 40.2 Ų | 40.2 | 6% | 0.063 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 132.7 | 171.3 | -76.5 | -86.4 | 0 | 0 | 0 | 109 | L974 I996 H997 P998 L1022 C1023 V1026 T1050 A1051 A1053 | L974-Y1028 HydrophobicContact CD1-CD2 4.2Å; L974-Y1028 HydrophobicContact CD1-CG 4.33Å; I996-Y1028 HydrophobicContact CD1-CD1 3.83Å; I996-Y1028 HydrophobicContact CD1-CG 4Å; I996-Y1028 HydrophobicContact CG1-CD1 3.7Å; I996-Y1028 HydrophobicContact CG1-CG 4.22Å; H997-Y1028 CarbonylContact O-C 3.45Å; H997-Y1028 WeakPolarHBondContact O-CA 3.41Å; P998-Y1028 HydrophobicContact CB-CE1 4.31Å; P998-Y1028 HydrophobicContact CG-CD1 4.38Å; P998-Y1028 HydrophobicContact CG-CE1 3.83Å; L1022-Y1028 HydrophobicContact CB-CE2 3.83Å; L1022-Y1028 HydrophobicContact CD2-CD1 4.27Å; L1022-Y1028 HydrophobicContact CD2-CE1 3.8Å; L1022-Y1028 HydrophobicContact CD2-CE2 4.47Å; C1023-Y1028 WeakPolarHBondContact CB-OH 3.25Å; C1023-Y1028 PolarHBondContact N-OH 2.84Å; V1026-Y1028 HydrophobicContact CB-CD2 4.38Å; V1026-Y1028 HydrophobicContact CB-CE2 3.84Å; V1026-Y1028 HydrophobicContact CG1-CD2 4.26Å; V1026-Y1028 HydrophobicContact CG1-CE2 3.88Å; V1026-Y1028 WeakPolarHBondContact O-CD2 3.23Å; V1026-Y1028 PolarHBondContact O-N 3.34Å; Y1028-T1050 CarbonylContact O-C 3.53Å; Y1028-T1050 WeakPolarHBondContact O-CA 3.24Å; Y1028-A1051 PolarHBondContact N-O 2.85Å; Y1028-A1051 PolarHBondContact O-N 2.85Å; Y1028-A1053 HydrophobicContact CD2-CB 4.12Å; Y1028-A1053 HydrophobicContact CE2-CB 4.14Å |
| 1029 | T | 82.4 | Confident | 74.4 | Confident | 13 Ų | 13 | 43.6 Ų | 43.6 | 8% | 0.08 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 127.5 | 170 | -58.7 | 0 | 0 | 0 | 0 | 108.3 | H997 T999 Y1048 I1049 | H997-T1029 PolarHBondContact CD2-O 2.97Å; H997-T1029 PolarHBondContact N-O 2.91Å; H997-T1029 WeakPolarHBondContact NE2-CB 3.19Å; H997-T1029 PolarHBondContact O-N 3.08Å; T999-T1029 WeakPolarHBondContact CA-OG1 3.21Å; T999-T1029 VanDerWaalsContact CB-OG1 3.31Å; T999-T1029 WeakPolarHBondContact CB-OG1 3.5Å; T999-T1029 WeakPolarHBondContact CG2-OG1 3.22Å; T999-T1029 PolarHBondContact OG1-N 3.44Å; T999-T1029 PolarHBondContact OG1-OG1 2.81Å; T1029-Y1048 HydrophobicContact CG2-CD1 3.63Å; T1029-Y1048 HydrophobicContact CG2-CG 4.17Å; T1029-I1049 CarbonylContact C-O 3.57Å; T1029-I1049 WeakPolarHBondContact CA-O 3.42Å |
| 1030 | V | 85.8 | Confident | 73.7 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 145.2 | 176.6 | 176.8 | 0 | 0 | 0 | 0 | 109.8 | F966 V976 V994 Y995 I996 I1049 | F966-V1030 HydrophobicContact CE1-CB 3.88Å; F966-V1030 HydrophobicContact CE1-CG1 4.32Å; F966-V1030 HydrophobicContact CE1-CG2 3.56Å; F966-V1030 HydrophobicContact CZ-CB 3.58Å; F966-V1030 HydrophobicContact CZ-CG1 4.38Å; F966-V1030 HydrophobicContact CZ-CG2 3.56Å; V976-V1030 HydrophobicContact CB-CG1 4.47Å; V976-V1030 HydrophobicContact CG1-CG1 3.75Å; V976-V1030 HydrophobicContact CG2-CG1 3.89Å; V976-V1030 HydrophobicContact CG2-CG2 4.49Å; V994-V1030 HydrophobicContact CG1-CG1 3.89Å; Y995-V1030 VanDerWaalsContact O-CA 3.23Å; Y995-V1030 WeakPolarHBondContact O-CA 3.49Å; Y995-V1030 WeakPolarHBondContact O-CG1 3.41Å; I996-V1030 HydrophobicContact CB-CG2 3.75Å; I996-V1030 HydrophobicContact CD1-CG2 3.66Å; I996-V1030 HydrophobicContact CG1-CG2 3.53Å; V1030-I1049 HydrophobicContact CB-CD1 4.46Å; V1030-I1049 HydrophobicContact CB-CG1 3.98Å; V1030-I1049 HydrophobicContact CG1-CG1 4.49Å; V1030-I1049 PolarHBondContact N-O 3.15Å; V1030-I1049 VanDerWaalsContact O-CG1 3.25Å; V1030-I1049 WeakPolarHBondContact O-CG1 3.4Å; V1030-I1049 PolarHBondContact O-N 3.06Å |
| 1031 | Y | 88.6 | Confident | 73.3 | Confident | 15 Ų | 15 | 39.5 Ų | 39.5 | 6% | 0.059 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 159.9 | 164.6 | 64.2 | -87.1 | 0 | 0 | 0 | 109.4 | Y995 F1006 E1033 P1045 Y1048 | Y995-Y1031 VanDerWaalsContact CB-CZ 3.49Å; Y995-Y1031 AromaticContact CD2-CD2 3.85Å; Y995-Y1031 HydrophobicContact CD2-CD2 3.85Å; Y995-Y1031 AromaticContact CD2-CE2 3.29Å; Y995-Y1031 HydrophobicContact CD2-CE2 3.29Å; Y995-Y1031 AromaticContact CD2-CZ 3.71Å; Y995-Y1031 AromaticContact CE2-CE2 3.88Å; Y995-Y1031 HydrophobicContact CE2-CE2 3.88Å; Y995-Y1031 HydrophobicContact CG-CD2 4.41Å; Y995-Y1031 HydrophobicContact CG-CE1 4.21Å; Y995-Y1031 AromaticContact CG-CE2 3.69Å; Y995-Y1031 HydrophobicContact CG-CE2 3.69Å; Y995-Y1031 AromaticContact CG-CZ 3.57Å; Y995-Y1031 PolarHBondContact N-O 2.98Å; Y995-Y1031 PolarHBondContact O-N 2.98Å; Y995-Y1031 VanDerWaalsContact O-N 3.13Å; F1006-Y1031 AromaticContact CD1-CE1 3.82Å; F1006-Y1031 HydrophobicContact CD1-CE1 3.82Å; F1006-Y1031 HydrophobicContact CE1-CD1 4.46Å; F1006-Y1031 AromaticContact CE1-CE1 3.5Å; F1006-Y1031 HydrophobicContact CE1-CE1 3.5Å; F1006-Y1031 VanDerWaalsContact CE1-CE1 3.5Å; F1006-Y1031 HydrophobicContact CZ-CE1 4.14Å; Y1031-E1033 HydrophobicContact CD2-CG 4.26Å; Y1031-E1033 HydrophobicContact CE2-CG 4.14Å; Y1031-P1045 HydrophobicContact CD2-CB 3.51Å; Y1031-P1045 HydrophobicContact CD2-CG 4.11Å; Y1031-P1045 HydrophobicContact CE2-CB 3.94Å; Y1031-P1045 HydrophobicContact CE2-CG 4.01Å; Y1031-P1045 HydrophobicContact CG-CB 4.02Å; Y1031-Y1048 AromaticContact CD1-CD1 3.61Å; Y1031-Y1048 HydrophobicContact CD1-CD1 3.61Å; Y1031-Y1048 AromaticContact CD1-CE1 3.3Å; Y1031-Y1048 HydrophobicContact CD1-CE1 3.3Å; Y1031-Y1048 HydrophobicContact CE1-CD1 4.38Å; Y1031-Y1048 AromaticContact CE1-CE1 3.69Å; Y1031-Y1048 HydrophobicContact CE1-CE1 3.69Å; Y1031-Y1048 HydrophobicContact CG-CD1 4.16Å; Y1031-Y1048 AromaticContact CG-CE1 3.93Å; Y1031-Y1048 HydrophobicContact CG-CE1 3.93Å |
| 1032 | V | 88.1 | Confident | 73.4 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 138.6 | -179.6 | -170 | 0 | 0 | 0 | 0 | 108.9 | P961 V964 V976 W978 F992 L993 V994 S1046 | P961-V1032 WeakPolarHBondContact CD-O 3.03Å; P961-V1032 HydrophobicContact CG-CB 4.04Å; P961-V1032 HydrophobicContact CG-CG1 3.79Å; V964-V1032 HydrophobicContact CG1-CB 4.35Å; V964-V1032 HydrophobicContact CG1-CG2 3.52Å; V964-V1032 HydrophobicContact CG2-CB 4.39Å; V964-V1032 HydrophobicContact CG2-CG2 4.41Å; V976-V1032 HydrophobicContact CG1-CG2 4.12Å; W978-V1032 HydrophobicContact CD2-CG1 3.93Å; W978-V1032 HydrophobicContact CD2-CG2 4.22Å; W978-V1032 HydrophobicContact CE3-CG1 4.17Å; W978-V1032 HydrophobicContact CE3-CG2 3.78Å; W978-V1032 HydrophobicContact CG-CG1 4.34Å; W978-V1032 HydrophobicContact CZ2-CG1 4.43Å; W978-V1032 HydrophobicContact CZ3-CG2 4.27Å; F992-V1032 HydrophobicContact CB-CG1 3.94Å; F992-V1032 HydrophobicContact CD1-CG1 4.43Å; L993-V1032 CarbonylContact O-C 3.59Å; L993-V1032 WeakPolarHBondContact O-CA 3.34Å; V994-V1032 HydrophobicContact CB-CG2 4.48Å; V994-V1032 HydrophobicContact CG1-CG2 4.24Å; V994-V1032 HydrophobicContact CG2-CG1 4.07Å; V994-V1032 HydrophobicContact CG2-CG2 4.04Å; V1032-S1046 PolarHBondContact N-OG 3.28Å; V1032-S1046 WeakPolarHBondContact O-CB 3.18Å; V1032-S1046 PolarHBondContact O-N 3.36Å; V1032-S1046 PolarHBondContact O-OG 3.15Å |
| 1033 | E | 88.2 | Confident | 73.7 | Confident | 20 Ų | 20 | 35.3 Ų | 35.3 | 9% | 0.093 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 136.6 | 170.4 | -62.3 | 174 | 163.6 | 0 | 0 | 109.3 | F992 L993 Y995 Y1031 R1042 S1043 | F992-E1033 CarbonylContact C-O 3.48Å; F992-E1033 VanDerWaalsContact CA-O 3.3Å; F992-E1033 WeakPolarHBondContact CA-O 3.04Å; L993-E1033 HydrophobicContact CB-CB 4.35Å; L993-E1033 PolarHBondContact N-O 3.37Å; L993-E1033 PolarHBondContact O-N 3.02Å; Y995-E1033 HydrophobicContact CD2-CG 4.43Å; Y995-E1033 HydrophobicContact CE2-CB 4.32Å; Y995-E1033 VanDerWaalsContact CE2-CD 3.43Å; Y995-E1033 HydrophobicContact CE2-CG 3.84Å; Y995-E1033 WeakPolarHBondContact CE2-OE2 3.46Å; Y995-E1033 PolarHBondContact OH-OE2 2.7Å; Y1031-E1033 HydrophobicContact CD2-CG 4.26Å; Y1031-E1033 HydrophobicContact CE2-CG 4.14Å; E1033-R1042 WeakPolarHBondContact OE2-CD 3.4Å; E1033-R1042 IonicContact OE2-NH1 2.77Å; E1033-S1043 VanDerWaalsContact CA-OG 3.24Å; E1033-S1043 WeakPolarHBondContact CA-OG 3.4Å |
| 1034 | S | 83.7 | Confident | 74.2 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 135.3 | 166.6 | -72.2 | 0 | 0 | 0 | 0 | 109.5 | N959 P961 R1042 S1043 | N959-S1034 PolarHBondContact O-OG 3.3Å; P961-S1034 VanDerWaalsContact CD-OG 3.28Å; P961-S1034 WeakPolarHBondContact CD-OG 3.39Å; P961-S1034 WeakPolarHBondContact CG-OG 3.48Å; S1034-R1042 CarbonylContact O-C 3.44Å; S1034-R1042 WeakPolarHBondContact O-CA 3.35Å; S1034-S1043 PolarHBondContact N-OG 2.82Å; S1034-S1043 PolarHBondContact O-N 2.75Å |
| 1035 | F | 80 | Confident | 75.1 | Confident | 37 Ų | 37 | 36 Ų | 36 | 16% | 0.162 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 116.3 | 178.4 | -177.1 | -101.6 | 0 | 0 | 0 | 109.7 | C991 L993 S1037 R1042 | C991-F1035 HydrophobicContact CB-CB 4.11Å; C991-F1035 HydrophobicContact CB-CD1 3.72Å; C991-F1035 HydrophobicContact CB-CG 4.4Å; C991-F1035 PolarHBondContact N-O 2.88Å; C991-F1035 CarbonylContact O-C 3.48Å; C991-F1035 WeakPolarHBondContact O-CA 3.49Å; C991-F1035 WeakPolarHBondContact O-CB 3.49Å; C991-F1035 PolarHBondContact O-N 3.25Å; L993-F1035 HydrophobicContact CD1-CB 4.34Å; L993-F1035 HydrophobicContact CD1-CD2 4.03Å; L993-F1035 HydrophobicContact CD1-CG 4.49Å; L993-F1035 HydrophobicContact CD2-CB 4.49Å; L993-F1035 HydrophobicContact CG-CB 4.07Å; L993-F1035 HydrophobicContact CG-CD2 4.5Å; L993-F1035 HydrophobicContact CG-CG 4.48Å; F1035-S1037 PolarHBondContact O-N 2.88Å; F1035-R1042 HydrophobicContact CD2-CG 4.06Å |
| 1036 | D | 74.8 | Confident | 76.1 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -74.9 | 115.6 | 171.1 | -171 | -44.9 | 0 | 0 | 0 | 109.2 | F987 N988 T1038 Y1039 G1040 I1041 | F987-D1036 WeakPolarHBondContact CA-OD2 3.42Å; F987-D1036 HydrophobicContact CB-CB 4.4Å; F987-D1036 VanDerWaalsContact CB-OD2 3.29Å; F987-D1036 WeakPolarHBondContact CB-OD2 3.38Å; F987-D1036 WeakPolarHBondContact CD1-OD2 3.46Å; N988-D1036 PolarHBondContact N-OD2 3.31Å; D1036-T1038 PolarHBondContact O-N 2.72Å; D1036-T1038 VanDerWaalsContact OD1-CA 3.24Å; D1036-T1038 WeakPolarHBondContact OD1-CA 3.42Å; D1036-T1038 WeakPolarHBondContact OD1-CB 3.41Å; D1036-T1038 PolarHBondContact OD1-N 2.82Å; D1036-T1038 PolarHBondContact OD1-OG1 2.98Å; D1036-Y1039 PolarHBondContact OD1-N 2.95Å; D1036-Y1039 WeakPolarHBondContact OD2-CD2 3.33Å; D1036-G1040 VanDerWaalsContact O-CA 3.26Å; D1036-G1040 WeakPolarHBondContact O-CA 3.46Å; D1036-G1040 PolarHBondContact O-N 3.34Å; D1036-I1041 PolarHBondContact N-O 2.88Å; D1036-I1041 VanDerWaalsContact N-O 3.1Å | ||
| 1037 | S | 63.7 | Low | 76.8 | Confident | 59 Ų | 59 | 36.8 Ų | 36.8 | 41% | 0.413 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -18.5 | 179.4 | 57.5 | 0 | 0 | 0 | 0 | 113.4 | N988 F1035 | N988-S1037 PolarHBondContact O-N 3.12Å; F1035-S1037 PolarHBondContact O-N 2.88Å |
| 1038 | T | 60.5 | Low | 77.1 | Confident | 82 Ų | 82 | 39.5 Ų | 39.5 | 50% | 0.503 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -46 | 179.8 | -47 | 0 | 0 | 0 | 0 | 111 | N988 D1036 | N988-T1038 WeakPolarHBondContact CB-OG1 3.26Å; N988-T1038 PolarHBondContact ND2-OG1 2.77Å; D1036-T1038 PolarHBondContact O-N 2.72Å; D1036-T1038 VanDerWaalsContact OD1-CA 3.24Å; D1036-T1038 WeakPolarHBondContact OD1-CA 3.42Å; D1036-T1038 WeakPolarHBondContact OD1-CB 3.41Å; D1036-T1038 PolarHBondContact OD1-N 2.82Å; D1036-T1038 PolarHBondContact OD1-OG1 2.98Å |
| 1039 | Y | 60.9 | Low | 77.2 | Confident | 130 Ų | 130 | 39.8 Ų | 39.8 | 51% | 0.51 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | -13.8 | -175.1 | -58.4 | -65.4 | 0 | 0 | 0 | 114.6 | F987 D1036 I1041 | F987-Y1039 HydrophobicContact CD1-CD2 4.49Å; D1036-Y1039 PolarHBondContact OD1-N 2.95Å; D1036-Y1039 WeakPolarHBondContact OD2-CD2 3.33Å; Y1039-I1041 VanDerWaalsContact C-N 3.31Å; Y1039-I1041 HydrophobicContact CG-CD1 4.48Å; Y1039-I1041 PolarHBondContact O-N 2.99Å |
| 1040 | G | 67.3 | Low | 76.9 | Confident | 19 Ų | 19 | 43.1 Ų | 43.1 | 20% | 0.196 | 23% | 0.225 | C | C | . | . | trans | 72.6 | 19.3 | -179 | 0 | 0 | 0 | 0 | 0 | 114.7 | D1036 Y1774 | D1036-G1040 VanDerWaalsContact O-CA 3.26Å; D1036-G1040 WeakPolarHBondContact O-CA 3.46Å; D1036-G1040 PolarHBondContact O-N 3.34Å; G1040-Y1774 VanDerWaalsContact O-CE1 3.22Å; G1040-Y1774 WeakPolarHBondContact O-CE1 3.45Å; G1040-Y1774 PolarHBondContact O-OH 2.84Å | ||
| 1041 | I | 66.3 | Low | 75.9 | Confident | 29 Ų | 29 | 43.5 Ų | 43.5 | 15% | 0.149 | 23% | 0.227 | C | C | . | . | trans | -95.7 | 141.2 | -174.8 | -52.8 | 168.9 | 0 | 0 | 0 | 109.6 | I955 P958 D1036 Y1039 | I955-I1041 HydrophobicContact CD1-CD1 3.82Å; I955-I1041 HydrophobicContact CG1-CD1 4.35Å; I955-I1041 HydrophobicContact CG2-CD1 4.09Å; I955-I1041 HydrophobicContact CG2-CG2 3.82Å; P958-I1041 HydrophobicContact CG-CG2 4.4Å; D1036-I1041 PolarHBondContact N-O 2.88Å; D1036-I1041 VanDerWaalsContact N-O 3.1Å; Y1039-I1041 VanDerWaalsContact C-N 3.31Å; Y1039-I1041 HydrophobicContact CG-CD1 4.48Å; Y1039-I1041 PolarHBondContact O-N 2.99Å | ||
| 1042 | R | 76.5 | Confident | 74.8 | Confident | 24 Ų | 24 | 44.7 Ų | 44.7 | 9% | 0.091 | 24% | 0.236 | C | C | . | . | B | Isolated β-bridge | trans | -104.4 | 143.7 | -179.9 | -70 | 177.6 | -113.8 | -175.9 | 10.6 | 112.3 | T957 P958 L993 Y995 E1033 S1034 F1035 E1770 Y1774 | T957-R1042 WeakPolarHBondContact CB-O 3.37Å; T957-R1042 WeakPolarHBondContact CG2-O 3.42Å; P958-R1042 WeakPolarHBondContact CD-O 3.3Å; L993-R1042 HydrophobicContact CD1-CG 3.54Å; Y995-R1042 PolarHBondContact OH-NH1 2.76Å; E1033-R1042 WeakPolarHBondContact OE2-CD 3.4Å; E1033-R1042 IonicContact OE2-NH1 2.77Å; S1034-R1042 CarbonylContact O-C 3.44Å; S1034-R1042 WeakPolarHBondContact O-CA 3.35Å; F1035-R1042 HydrophobicContact CD2-CG 4.06Å; R1042-E1770 IonicContact CZ-OE1 3.44Å; R1042-E1770 IonicContact NH1-OE1 2.76Å; R1042-E1770 PolarHBondContact NH1-OE1 2.85Å; R1042-Y1774 WeakPolarHBondContact CG-OH 3.43Å; R1042-Y1774 VanDerWaalsContact CZ-CE2 3.49Å; R1042-Y1774 PolarHBondContact NE-OH 2.91Å |
| 1043 | S | 78.5 | Confident | 73.4 | Confident | 4 Ų | 4 | 44.7 Ų | 44.7 | 3% | 0.028 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -63.9 | 166.5 | 167.3 | 66.9 | 0 | 0 | 0 | 0 | 112.2 | P958 E1033 S1034 | P958-S1043 WeakPolarHBondContact O-CA 3.23Å; P958-S1043 WeakPolarHBondContact O-CB 3.35Å; E1033-S1043 VanDerWaalsContact CA-OG 3.24Å; E1033-S1043 WeakPolarHBondContact CA-OG 3.4Å; S1034-S1043 PolarHBondContact N-OG 2.82Å; S1034-S1043 PolarHBondContact O-N 2.75Å |
| 1044 | L | 76 | Confident | 71.8 | Confident | 109 Ų | 109 | 47.3 Ų | 47.3 | 57% | 0.571 | 25% | 0.246 | S | C | * | . | P | Polyproline II helix | trans | -56.7 | 156.5 | 154.1 | -75 | 166.2 | 0 | 0 | 0 | 109.7 | P960 | P960-L1044 WeakPolarHBondContact CB-O 3.33Š|
| 1045 | P | 77.7 | Confident | 70.3 | Confident | 40 Ų | 40 | 49.8 Ų | 49.8 | 26% | 0.26 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -52.8 | 139.9 | 171.5 | -27.6 | 35.9 | 0 | 0 | 0 | 111.5 | Y1031 Y1048 | Y1031-P1045 HydrophobicContact CD2-CB 3.51Å; Y1031-P1045 HydrophobicContact CD2-CG 4.11Å; Y1031-P1045 HydrophobicContact CE2-CB 3.94Å; Y1031-P1045 HydrophobicContact CE2-CG 4.01Å; Y1031-P1045 HydrophobicContact CG-CB 4.02Å; P1045-Y1048 HydrophobicContact CB-CE2 4.47Å |
| 1046 | S | 83.9 | Confident | 69 | Low | 4 Ų | 4 | 53 Ų | 53 | 3% | 0.028 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 173 | 162.4 | 70.7 | 0 | 0 | 0 | 0 | 111.1 | V964 V1032 Y1048 | V964-S1046 VanDerWaalsContact CG2-CB 3.43Å; V964-S1046 WeakPolarHBondContact CG2-OG 3.43Å; V1032-S1046 PolarHBondContact N-OG 3.28Å; V1032-S1046 WeakPolarHBondContact O-CB 3.18Å; V1032-S1046 PolarHBondContact O-N 3.36Å; V1032-S1046 PolarHBondContact O-OG 3.15Å; S1046-Y1048 PolarHBondContact O-N 2.81Å; S1046-Y1048 VanDerWaalsContact O-N 3.17Å |
| 1047 | N | 79.5 | Confident | 68.2 | Low | 94 Ų | 94 | 56.5 Ų | 56.5 | 50% | 0.503 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -51.6 | 128.4 | 165.5 | 59.2 | -62.9 | 0 | 0 | 0 | 109.7 | I1049 | N1047-I1049 WeakPolarHBondContact ND2-CG2 3.11Å; N1047-I1049 PolarHBondContact O-N 2.87Å |
| 1048 | Y | 80.6 | Confident | 68.1 | Low | 135 Ų | 135 | 54.6 Ų | 54.6 | 53% | 0.529 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 120.3 | 174.1 | -67.3 | -88.1 | 0 | 0 | 0 | 108.3 | T1029 Y1031 P1045 S1046 | T1029-Y1048 HydrophobicContact CG2-CD1 3.63Å; T1029-Y1048 HydrophobicContact CG2-CG 4.17Å; Y1031-Y1048 AromaticContact CD1-CD1 3.61Å; Y1031-Y1048 HydrophobicContact CD1-CD1 3.61Å; Y1031-Y1048 AromaticContact CD1-CE1 3.3Å; Y1031-Y1048 HydrophobicContact CD1-CE1 3.3Å; Y1031-Y1048 HydrophobicContact CE1-CD1 4.38Å; Y1031-Y1048 AromaticContact CE1-CE1 3.69Å; Y1031-Y1048 HydrophobicContact CE1-CE1 3.69Å; Y1031-Y1048 HydrophobicContact CG-CD1 4.16Å; Y1031-Y1048 AromaticContact CG-CE1 3.93Å; Y1031-Y1048 HydrophobicContact CG-CE1 3.93Å; P1045-Y1048 HydrophobicContact CB-CE2 4.47Å; S1046-Y1048 PolarHBondContact O-N 2.81Å; S1046-Y1048 VanDerWaalsContact O-N 3.17Å |
| 1049 | I | 78.7 | Confident | 68.5 | Low | 21 Ų | 21 | 56.2 Ų | 56.2 | 11% | 0.108 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 129.3 | 176.3 | 55.6 | 173.2 | 0 | 0 | 0 | 109.7 | V964 F966 V976 T1029 V1030 N1047 | V964-I1049 HydrophobicContact CB-CD1 4.16Å; V964-I1049 HydrophobicContact CG1-CD1 3.51Å; V964-I1049 HydrophobicContact CG1-CG1 4.29Å; V964-I1049 WeakPolarHBondContact O-CG2 3.33Å; F966-I1049 HydrophobicContact CD2-CD1 3.65Å; F966-I1049 HydrophobicContact CD2-CG1 4.27Å; F966-I1049 HydrophobicContact CE1-CD1 4.16Å; F966-I1049 HydrophobicContact CE2-CB 3.75Å; F966-I1049 HydrophobicContact CE2-CD1 3.21Å; F966-I1049 HydrophobicContact CE2-CG1 3.37Å; F966-I1049 HydrophobicContact CG-CD1 4.31Å; F966-I1049 HydrophobicContact CZ-CB 4.38Å; F966-I1049 HydrophobicContact CZ-CD1 3.52Å; F966-I1049 HydrophobicContact CZ-CG1 3.58Å; V976-I1049 HydrophobicContact CG1-CD1 4.47Å; T1029-I1049 CarbonylContact C-O 3.57Å; T1029-I1049 WeakPolarHBondContact CA-O 3.42Å; V1030-I1049 HydrophobicContact CB-CD1 4.46Å; V1030-I1049 HydrophobicContact CB-CG1 3.98Å; V1030-I1049 HydrophobicContact CG1-CG1 4.49Å; V1030-I1049 PolarHBondContact N-O 3.15Å; V1030-I1049 VanDerWaalsContact O-CG1 3.25Å; V1030-I1049 WeakPolarHBondContact O-CG1 3.4Å; V1030-I1049 PolarHBondContact O-N 3.06Å; N1047-I1049 WeakPolarHBondContact ND2-CG2 3.11Å; N1047-I1049 PolarHBondContact O-N 2.87Å |
| 1050 | T | 74.9 | Confident | 69.1 | Low | 84 Ų | 84 | 54.6 Ų | 54.6 | 52% | 0.515 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 109.2 | 177.6 | -27.4 | 0 | 0 | 0 | 0 | 108.1 | T999 N1027 Y1028 | T999-T1050 HydrophobicContact CG2-CG2 3.99Å; T999-T1050 WeakPolarHBondContact OG1-CG2 3.49Å; N1027-T1050 HydrophobicContact CB-CG2 4.01Å; Y1028-T1050 CarbonylContact O-C 3.53Å; Y1028-T1050 WeakPolarHBondContact O-CA 3.24Å |
| 1051 | A | 65.5 | Low | 69.6 | Low | 7 Ų | 7 | 54 Ų | 54 | 6% | 0.058 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 134.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110 | F966 L974 Y1028 | F966-A1051 HydrophobicContact CD1-CB 3.91Å; F966-A1051 HydrophobicContact CD2-CB 3.47Å; F966-A1051 VanDerWaalsContact CD2-CB 3.47Å; F966-A1051 HydrophobicContact CE1-CB 3.63Å; F966-A1051 HydrophobicContact CE2-CB 3.17Å; F966-A1051 HydrophobicContact CG-CB 3.8Å; F966-A1051 HydrophobicContact CZ-CB 3.24Å; L974-A1051 HydrophobicContact CD1-CB 3.97Å; L974-A1051 HydrophobicContact CD2-CB 3.5Å; L974-A1051 HydrophobicContact CG-CB 4.44Å; Y1028-A1051 PolarHBondContact N-O 2.85Å; Y1028-A1051 PolarHBondContact O-N 2.85Å |
| 1052 | V | 66.7 | Low | 69.9 | Low | 41 Ų | 41 | 58.1 Ų | 58.1 | 25% | 0.248 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 125 | 160.7 | -164 | 0 | 0 | 0 | 0 | 106.8 | N1027 Y1054 | N1027-V1052 WeakPolarHBondContact OD1-CG2 3.27Å; V1052-Y1054 HydrophobicContact CB-CD1 4.38Å; V1052-Y1054 HydrophobicContact CB-CE1 4.42Å; V1052-Y1054 VanDerWaalsContact O-CD2 3.22Å; V1052-Y1054 WeakPolarHBondContact O-CD2 3.43Å; V1052-Y1054 PolarHBondContact O-N 2.96Å |
| 1053 | A | 58.7 | Low | 70 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 32% | 0.317 | C | S | . | . | trans | -66.1 | 90.2 | 159.5 | 0 | 0 | 0 | 0 | 0 | 105.9 | L974 C1023 G1025 V1026 Y1028 | L974-A1053 HydrophobicContact CD1-CB 4.44Å; C1023-A1053 WeakPolarHBondContact O-CB 3.19Å; G1025-A1053 WeakPolarHBondContact CA-O 3.22Å; G1025-A1053 PolarHBondContact N-O 2.96Å; V1026-A1053 PolarHBondContact O-N 2.8Å; Y1028-A1053 HydrophobicContact CD2-CB 4.12Å; Y1028-A1053 HydrophobicContact CE2-CB 4.14Å | ||
| 1054 | Y | 53.1 | Low | 70 | Confident | 74 Ų | 74 | 63 Ų | 63 | 29% | 0.29 | 32% | 0.32 | S | S | . | . | trans | -55.8 | 140.1 | -169.1 | -72.1 | -86 | 0 | 0 | 0 | 110.5 | T969 S971 V1052 Y1140 I1142 | T969-Y1054 HydrophobicContact CG2-CD2 3.96Å; T969-Y1054 HydrophobicContact CG2-CE2 4.11Å; T969-Y1054 WeakPolarHBondContact OG1-CD2 3.38Å; S971-Y1054 WeakPolarHBondContact CA-O 3.42Å; V1052-Y1054 HydrophobicContact CB-CD1 4.38Å; V1052-Y1054 HydrophobicContact CB-CE1 4.42Å; V1052-Y1054 VanDerWaalsContact O-CD2 3.22Å; V1052-Y1054 WeakPolarHBondContact O-CD2 3.43Å; V1052-Y1054 PolarHBondContact O-N 2.96Å; Y1054-Y1140 HydrophobicContact CE1-CD1 4.23Å; Y1054-I1142 VanDerWaalsContact CB-CD1 3.49Å; Y1054-I1142 HydrophobicContact CD1-CD1 3.12Å; Y1054-I1142 HydrophobicContact CD2-CD1 3.62Å; Y1054-I1142 HydrophobicContact CE1-CD1 3.59Å; Y1054-I1142 HydrophobicContact CE2-CD1 4.03Å; Y1054-I1142 HydrophobicContact CG-CD1 3.11Å | ||
| 1055 | P | 51.8 | Low | 70.3 | Confident | 53 Ų | 53 | 61.4 Ų | 61.4 | 34% | 0.344 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -52 | 148.9 | 173.7 | 24.3 | -33.9 | 0 | 0 | 0 | 108.8 | R1057 F1087 | P1055-R1057 PolarHBondContact O-N 2.6Å; P1055-F1087 HydrophobicContact CB-CZ 3.89Å; P1055-F1087 HydrophobicContact CG-CE1 3.88Å; P1055-F1087 HydrophobicContact CG-CZ 3.55Å |
| 1056 | D | 52.8 | Low | 70.4 | Confident | 103 Ų | 103 | 61.3 Ų | 61.3 | 55% | 0.551 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -39.8 | 131.1 | -171.6 | -82 | -60.3 | 0 | 0 | 0 | 111.7 | S971 | S971-D1056 VanDerWaalsContact CB-CG 3.43Å; S971-D1056 WeakPolarHBondContact CB-OD1 3.44Å; S971-D1056 PolarHBondContact OG-OD1 2.89Å |
| 1057 | R | 58.6 | Low | 70.3 | Confident | 75 Ų | 75 | 64.1 Ų | 64.1 | 28% | 0.283 | 33% | 0.33 | S | S | . | . | trans | -27.9 | 129.8 | 167 | -86.5 | -172.9 | -161.1 | -104.9 | 7.5 | 109.5 | E968 P1055 I1142 Y1143 N1145 | E968-R1057 IonicContact OE1-NH2 3.89Å; P1055-R1057 PolarHBondContact O-N 2.6Å; R1057-I1142 HydrophobicContact CG-CG2 4.44Å; R1057-Y1143 WeakPolarHBondContact CD-O 3.42Å; R1057-Y1143 WeakPolarHBondContact CG-O 3.3Å; R1057-Y1143 PolarHBondContact NH1-O 3.44Å; R1057-Y1143 VanDerWaalsContact NH1-O 3.11Å; R1057-N1145 WeakPolarHBondContact CD-OD1 3.32Å | ||
| 1058 | P | 62.4 | Low | 70.1 | Confident | 19 Ų | 19 | 63.9 Ų | 63.9 | 12% | 0.123 | 33% | 0.329 | C | S | . | . | trans | -43.7 | 148 | -179.7 | -27 | 30.9 | 0 | 0 | 0 | 110.9 | K1060 N1137 S1144 | P1058-K1060 PolarHBondContact O-N 3.49Å; P1058-K1060 VanDerWaalsContact O-N 3.1Å; P1058-N1137 HydrophobicContact CG-CB 4.4Å; P1058-S1144 WeakPolarHBondContact O-CB 3.42Å | ||
| 1059 | I | 67.8 | Low | 69.7 | Low | 115 Ų | 115 | 60.7 Ų | 60.7 | 59% | 0.59 | 32% | 0.32 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 127.4 | -178.9 | -55.8 | 173.3 | 0 | 0 | 0 | 107.8 | S1135 | I1059-S1135 PolarHBondContact O-OG 2.82Š|
| 1060 | K | 74.7 | Confident | 69.4 | Low | 97 Ų | 97 | 64.1 Ų | 64.1 | 42% | 0.422 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 141 | 177.3 | 72.1 | -173.3 | -176.9 | -178.6 | 0 | 108.5 | P1058 E1062 N1145 T1147 | P1058-K1060 PolarHBondContact O-N 3.49Å; P1058-K1060 VanDerWaalsContact O-N 3.1Å; K1060-E1062 WeakPolarHBondContact O-CG 3.22Å; K1060-E1062 PolarHBondContact O-N 2.89Å; K1060-N1145 WeakPolarHBondContact CB-O 3.28Å; K1060-T1147 HydrophobicContact CB-CG2 4.16Å; K1060-T1147 HydrophobicContact CG-CG2 4.43Å |
| 1061 | P | 76.4 | Confident | 69.1 | Low | 5 Ų | 5 | 62.4 Ų | 62.4 | 3% | 0.032 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -50.7 | 128.8 | 177 | -26.3 | 32.7 | 0 | 0 | 0 | 111.9 | V1064 W1078 I1081 L1133 T1147 | P1061-V1064 HydrophobicContact CB-CG2 4.14Å; P1061-V1064 WeakPolarHBondContact O-CG2 3.46Å; P1061-W1078 HydrophobicContact CB-CB 4.05Å; P1061-W1078 HydrophobicContact CB-CG 4.04Å; P1061-I1081 HydrophobicContact CG-CD1 4.26Å; P1061-L1133 HydrophobicContact CG-CB 4.07Å; P1061-T1147 HydrophobicContact CB-CG2 4.04Å; P1061-T1147 HydrophobicContact CG-CG2 4.22Å; P1061-T1147 WeakPolarHBondContact O-CG2 3.42Å |
| 1062 | E | 73.1 | Confident | 69.6 | Low | 117 Ų | 117 | 66 Ų | 66 | 55% | 0.547 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -102.3 | 159.1 | -177.9 | -62 | -172.2 | 162.8 | 0 | 0 | 111.3 | K1060 V1064 N1079 | K1060-E1062 WeakPolarHBondContact O-CG 3.22Å; K1060-E1062 PolarHBondContact O-N 2.89Å; E1062-V1064 VanDerWaalsContact C-N 3.29Å; E1062-V1064 PolarHBondContact O-N 2.93Å; E1062-N1079 WeakPolarHBondContact O-CB 3.42Å; E1062-N1079 PolarHBondContact O-N 2.84Å |
| 1063 | N | 79.6 | Confident | 70.4 | Confident | 116 Ų | 116 | 65.9 Ų | 65.9 | 62% | 0.62 | 34% | 0.34 | S | S | * | . | S | Bend | trans | 49.5 | 45.1 | -172.2 | -74.2 | -6.2 | 0 | 0 | 0 | 114.2 | T1065 N1079 | N1063-T1065 PolarHBondContact O-N 3.18Å; N1063-N1079 PolarHBondContact ND2-ND2 3.23Å |
| 1064 | V | 77.4 | Confident | 71.7 | Confident | 15 Ų | 15 | 65.9 Ų | 65.9 | 9% | 0.091 | 34% | 0.34 | C | S | . | . | trans | -68 | 122.7 | 172.2 | -175.5 | 0 | 0 | 0 | 0 | 109.2 | P1061 E1062 I1076 R1077 W1078 L1133 T1147 F1150 | P1061-V1064 HydrophobicContact CB-CG2 4.14Å; P1061-V1064 WeakPolarHBondContact O-CG2 3.46Å; E1062-V1064 VanDerWaalsContact C-N 3.29Å; E1062-V1064 PolarHBondContact O-N 2.93Å; V1064-I1076 HydrophobicContact CG1-CD1 3.69Å; V1064-I1076 HydrophobicContact CG1-CG1 3.66Å; V1064-R1077 CarbonylContact C-O 3.58Å; V1064-R1077 VanDerWaalsContact CA-O 3.24Å; V1064-R1077 WeakPolarHBondContact CA-O 3.49Å; V1064-W1078 HydrophobicContact CG2-CB 3.96Å; V1064-L1133 HydrophobicContact CG1-CD1 3.65Å; V1064-L1133 HydrophobicContact CG2-CD1 4.23Å; V1064-T1147 HydrophobicContact CG2-CG2 3.86Å; V1064-F1150 HydrophobicContact CB-CD2 4.46Å; V1064-F1150 HydrophobicContact CB-CE1 4.4Å; V1064-F1150 HydrophobicContact CB-CE2 3.49Å; V1064-F1150 VanDerWaalsContact CB-CE2 3.49Å; V1064-F1150 HydrophobicContact CB-CZ 3.48Å; V1064-F1150 VanDerWaalsContact CB-CZ 3.48Å; V1064-F1150 HydrophobicContact CG1-CD2 3.93Å; V1064-F1150 HydrophobicContact CG1-CE2 3.42Å; V1064-F1150 VanDerWaalsContact CG1-CE2 3.42Å; V1064-F1150 HydrophobicContact CG1-CZ 3.83Å; V1064-F1150 HydrophobicContact CG2-CE2 4.15Å; V1064-F1150 HydrophobicContact CG2-CZ 4.36Å | ||
| 1065 | T | 82.3 | Confident | 73.2 | Confident | 74 Ų | 74 | 63 Ų | 63 | 45% | 0.454 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 145.6 | 178.2 | 52.8 | 0 | 0 | 0 | 0 | 109.8 | N1063 I1076 R1077 | N1063-T1065 PolarHBondContact O-N 3.18Å; T1065-I1076 WeakPolarHBondContact O-CA 3.38Å; T1065-R1077 PolarHBondContact N-O 3.29Å; T1065-R1077 PolarHBondContact O-N 2.93Å |
| 1066 | V | 80.9 | Confident | 74.8 | Confident | 38 Ų | 38 | 60.5 Ų | 60.5 | 23% | 0.23 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 130.7 | 177.7 | 178.4 | 0 | 0 | 0 | 0 | 108 | I1069 F1074 T1075 I1076 F1150 I1152 | V1066-I1069 HydrophobicContact CG1-CD1 3.95Å; V1066-I1069 HydrophobicContact CG1-CG1 3.87Å; V1066-F1074 HydrophobicContact CG1-CB 4.2Å; V1066-F1074 HydrophobicContact CG1-CD2 4.2Å; V1066-F1074 HydrophobicContact CG1-CG 4.43Å; V1066-T1075 CarbonylContact C-O 3.58Å; V1066-T1075 WeakPolarHBondContact CA-O 3.5Å; V1066-I1076 HydrophobicContact CG2-CD1 4.15Å; V1066-I1076 HydrophobicContact CG2-CG1 4.2Å; V1066-F1150 HydrophobicContact CG2-CB 4.34Å; V1066-I1152 HydrophobicContact CB-CD1 4.15Å; V1066-I1152 HydrophobicContact CB-CG1 4.35Å; V1066-I1152 HydrophobicContact CG1-CD1 3.56Å; V1066-I1152 HydrophobicContact CG1-CG1 3.87Å; V1066-I1152 HydrophobicContact CG1-CG2 3.9Å; V1066-I1152 HydrophobicContact CG2-CD1 3.5Å; V1066-I1152 VanDerWaalsContact CG2-CD1 3.5Å; V1066-I1152 HydrophobicContact CG2-CG1 3.86Å |
| 1067 | T | 80.4 | Confident | 76.3 | Confident | 63 Ų | 63 | 61.5 Ų | 61.5 | 39% | 0.387 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 169.2 | -178.9 | 59.7 | 0 | 0 | 0 | 0 | 110.5 | I1069 T1075 | T1067-I1069 PolarHBondContact O-N 3.35Å; T1067-T1075 PolarHBondContact N-O 3.14Å; T1067-T1075 PolarHBondContact O-N 3.49Å; T1067-T1075 VanDerWaalsContact O-O 3.11Å |
| 1068 | N | 74.8 | Confident | 77.6 | Confident | 89 Ų | 89 | 58.5 Ų | 58.5 | 48% | 0.476 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 58.5 | 40.1 | 172.7 | -151.3 | 13.1 | 0 | 0 | 0 | 114.6 | K1070 | N1068-K1070 PolarHBondContact O-N 3.21Å |
| 1069 | I | 72.8 | Confident | 78.3 | Confident | 68 Ų | 68 | 61.2 Ų | 61.2 | 35% | 0.349 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 121.1 | -179.9 | -54 | 171.7 | 0 | 0 | 0 | 109.4 | V1066 T1067 F1074 I1152 Y1153 T1155 | V1066-I1069 HydrophobicContact CG1-CD1 3.95Å; V1066-I1069 HydrophobicContact CG1-CG1 3.87Å; T1067-I1069 PolarHBondContact O-N 3.35Å; I1069-F1074 HydrophobicContact CG1-CB 4.16Å; I1069-I1152 HydrophobicContact CD1-CG2 3.92Å; I1069-I1152 HydrophobicContact CG1-CG2 4.01Å; I1069-I1152 HydrophobicContact CG2-CG2 4.2Å; I1069-Y1153 WeakPolarHBondContact CG2-O 3.34Å; I1069-T1155 HydrophobicContact CG2-CG2 4.3Å |
| 1070 | K | 71.7 | Confident | 78.5 | Confident | 93 Ų | 93 | 62.7 Ų | 62.7 | 40% | 0.404 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 175.3 | 176.9 | -60.5 | -170.5 | -175.5 | 176.6 | 0 | 109.4 | N1068 N1072 Q1073 T1155 | N1068-K1070 PolarHBondContact O-N 3.21Å; K1070-N1072 PolarHBondContact O-N 2.98Å; K1070-N1072 VanDerWaalsContact O-N 3.1Å; K1070-Q1073 HydrophobicContact CB-CG 3.75Å; K1070-Q1073 HydrophobicContact CD-CG 3.87Å; K1070-Q1073 HydrophobicContact CG-CG 4Å; K1070-Q1073 PolarHBondContact N-O 3.47Å; K1070-T1155 VanDerWaalsContact C-OG1 3.27Å |
| 1071 | P | 69.3 | Low | 78.2 | Confident | 49 Ų | 49 | 60.1 Ų | 60.1 | 32% | 0.318 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -25.9 | 178.1 | -24.3 | 34.4 | 0 | 0 | 0 | 113.6 | L1124 P1125 T1154 T1155 | P1071-L1124 CarbonylContact O-C 3.59Å; P1071-P1125 HydrophobicContact CB-CB 3.73Å; P1071-P1125 WeakPolarHBondContact O-CA 3.48Å; P1071-P1125 VanDerWaalsContact O-CB 3.29Å; P1071-P1125 WeakPolarHBondContact O-CB 3.49Å; P1071-T1154 WeakPolarHBondContact O-CB 3.36Å; P1071-T1155 WeakPolarHBondContact CA-O 3.42Å; P1071-T1155 WeakPolarHBondContact CB-O 3.33Å; P1071-T1155 WeakPolarHBondContact CD-OG1 3.42Å; P1071-T1155 WeakPolarHBondContact CG-OG1 3.25Å; P1071-T1155 VanDerWaalsContact N-OG1 3.13Å |
| 1072 | N | 77.3 | Confident | 77.4 | Confident | 83 Ų | 83 | 69.5 Ų | 69.5 | 44% | 0.444 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.9 | 12.5 | -175.3 | 68.2 | -15.1 | 0 | 0 | 0 | 115.5 | K1070 T1121 S1122 L1123 | K1070-N1072 PolarHBondContact O-N 2.98Å; K1070-N1072 VanDerWaalsContact O-N 3.1Å; N1072-T1121 CarbonylContact O-C 3.6Å; N1072-S1122 PolarHBondContact O-N 2.85Å; N1072-L1123 VanDerWaalsContact CA-O 3.28Å; N1072-L1123 WeakPolarHBondContact CA-O 3.29Å; N1072-L1123 WeakPolarHBondContact CB-O 3.42Å; N1072-L1123 PolarHBondContact O-N 3.38Å |
| 1073 | Q | 81.5 | Confident | 76.5 | Confident | 38 Ų | 38 | 71.4 Ų | 71.4 | 18% | 0.178 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 158.6 | 178.5 | 60.5 | 169.7 | 53.5 | 0 | 0 | 113.3 | K1070 V1120 T1121 | K1070-Q1073 HydrophobicContact CB-CG 3.75Å; K1070-Q1073 HydrophobicContact CD-CG 3.87Å; K1070-Q1073 HydrophobicContact CG-CG 4Å; K1070-Q1073 PolarHBondContact N-O 3.47Å; Q1073-V1120 CarbonylContact C-O 3.59Å; Q1073-V1120 WeakPolarHBondContact CA-O 3.3Å; Q1073-V1120 WeakPolarHBondContact CB-O 3.29Å; Q1073-T1121 HydrophobicContact CB-CG2 4.19Å |
| 1074 | F | 86 | Confident | 75.1 | Confident | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 159.3 | 165.3 | 65.5 | -100.7 | 0 | 0 | 0 | 111.1 | V1066 I1069 V1096 V1120 L1123 Y1129 V1131 I1152 | V1066-F1074 HydrophobicContact CG1-CB 4.2Å; V1066-F1074 HydrophobicContact CG1-CD2 4.2Å; V1066-F1074 HydrophobicContact CG1-CG 4.43Å; I1069-F1074 HydrophobicContact CG1-CB 4.16Å; F1074-V1096 HydrophobicContact CE1-CG1 4Å; F1074-V1096 HydrophobicContact CZ-CG1 3.81Å; F1074-V1096 HydrophobicContact CZ-CG2 3.91Å; F1074-V1120 HydrophobicContact CD2-CG2 4.42Å; F1074-V1120 HydrophobicContact CE1-CB 4.24Å; F1074-V1120 HydrophobicContact CE1-CG1 4.5Å; F1074-V1120 HydrophobicContact CE2-CB 4.03Å; F1074-V1120 HydrophobicContact CE2-CG2 3.66Å; F1074-V1120 HydrophobicContact CZ-CB 3.84Å; F1074-V1120 HydrophobicContact CZ-CG1 4.27Å; F1074-V1120 HydrophobicContact CZ-CG2 3.72Å; F1074-V1120 PolarHBondContact N-O 2.98Å; F1074-V1120 PolarHBondContact O-N 3.06Å; F1074-L1123 HydrophobicContact CD1-CD1 3.19Å; F1074-L1123 HydrophobicContact CE1-CD1 3.28Å; F1074-L1123 HydrophobicContact CG-CD1 4.29Å; F1074-L1123 HydrophobicContact CZ-CD1 4.41Å; F1074-Y1129 HydrophobicContact CE1-CG 4.5Å; F1074-V1131 HydrophobicContact CE1-CG2 4.07Å; F1074-V1131 HydrophobicContact CE2-CG1 4.32Å; F1074-V1131 HydrophobicContact CE2-CG2 4.19Å; F1074-V1131 HydrophobicContact CZ-CG1 4.3Å; F1074-V1131 HydrophobicContact CZ-CG2 3.53Å; F1074-I1152 HydrophobicContact CB-CG2 3.96Å; F1074-I1152 HydrophobicContact CD1-CB 4.35Å; F1074-I1152 HydrophobicContact CD1-CD1 4.01Å; F1074-I1152 HydrophobicContact CD1-CG2 3.78Å; F1074-I1152 HydrophobicContact CD2-CD1 3.48Å; F1074-I1152 VanDerWaalsContact CD2-CD1 3.48Å; F1074-I1152 HydrophobicContact CE1-CD1 3.97Å; F1074-I1152 HydrophobicContact CE2-CD1 3.45Å; F1074-I1152 VanDerWaalsContact CE2-CD1 3.45Å; F1074-I1152 HydrophobicContact CG-CD1 3.81Å; F1074-I1152 HydrophobicContact CG-CG2 3.85Å; F1074-I1152 HydrophobicContact CZ-CD1 3.74Å |
| 1075 | T | 84.9 | Confident | 73.8 | Confident | 14 Ų | 14 | 79.6 Ų | 79.6 | 9% | 0.086 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 138.7 | 175.4 | -59.6 | 0 | 0 | 0 | 0 | 110.3 | V1066 T1067 R1077 T1119 | V1066-T1075 CarbonylContact C-O 3.58Å; V1066-T1075 WeakPolarHBondContact CA-O 3.5Å; T1067-T1075 PolarHBondContact N-O 3.14Å; T1067-T1075 PolarHBondContact O-N 3.49Å; T1067-T1075 VanDerWaalsContact O-O 3.11Å; T1075-R1077 HydrophobicContact CG2-CG 4.47Å; T1075-T1119 WeakPolarHBondContact CG2-OG1 3.38Å; T1075-T1119 WeakPolarHBondContact OG1-CG2 3.33Å; T1075-T1119 PolarHBondContact OG1-OG1 2.57Å |
| 1076 | I | 86.5 | Confident | 72.3 | Confident | 0 Ų | 0 | 80.9 Ų | 80.9 | 0% | 0 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 134.4 | 178.7 | -165.3 | 159 | 0 | 0 | 0 | 110.8 | V1064 T1065 V1066 W1078 L1094 E1117 F1118 V1131 L1133 | V1064-I1076 HydrophobicContact CG1-CD1 3.69Å; V1064-I1076 HydrophobicContact CG1-CG1 3.66Å; T1065-I1076 WeakPolarHBondContact O-CA 3.38Å; V1066-I1076 HydrophobicContact CG2-CD1 4.15Å; V1066-I1076 HydrophobicContact CG2-CG1 4.2Å; I1076-W1078 HydrophobicContact CG2-CZ3 4.05Å; I1076-L1094 HydrophobicContact CD1-CD1 3.91Å; I1076-L1094 HydrophobicContact CG2-CD1 3.91Å; I1076-L1094 HydrophobicContact CG2-CD2 3.78Å; I1076-L1094 HydrophobicContact CG2-CG 4.5Å; I1076-E1117 CarbonylContact O-C 3.6Å; I1076-E1117 VanDerWaalsContact O-CA 3.29Å; I1076-E1117 WeakPolarHBondContact O-CA 3.34Å; I1076-F1118 HydrophobicContact CG2-CB 4.25Å; I1076-F1118 WeakPolarHBondContact CG2-O 3.16Å; I1076-F1118 PolarHBondContact N-O 3.23Å; I1076-F1118 PolarHBondContact O-N 3.21Å; I1076-V1131 HydrophobicContact CD1-CG1 3.76Å; I1076-L1133 HydrophobicContact CD1-CD1 3.44Å; I1076-L1133 VanDerWaalsContact CD1-CD1 3.44Å; I1076-L1133 HydrophobicContact CG1-CD1 4.03Å |
| 1077 | R | 84.1 | Confident | 70.8 | Confident | 123 Ų | 123 | 81.4 Ų | 81.4 | 46% | 0.464 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 147.7 | -178.6 | -53.2 | -173.9 | 85.6 | -167.4 | 6.6 | 110.3 | V1064 T1065 T1075 S1116 E1117 | V1064-R1077 CarbonylContact C-O 3.58Å; V1064-R1077 VanDerWaalsContact CA-O 3.24Å; V1064-R1077 WeakPolarHBondContact CA-O 3.49Å; T1065-R1077 PolarHBondContact N-O 3.29Å; T1065-R1077 PolarHBondContact O-N 2.93Å; T1075-R1077 HydrophobicContact CG2-CG 4.47Å; R1077-S1116 CarbonylContact C-O 3.59Å; R1077-S1116 WeakPolarHBondContact CA-O 3.42Å; R1077-E1117 HydrophobicContact CB-CB 4.3Å; R1077-E1117 HydrophobicContact CG-CB 3.82Å; R1077-E1117 IonicContact CZ-OE2 3.79Å; R1077-E1117 IonicContact NE-OE2 3.33Å; R1077-E1117 PolarHBondContact NE-OE2 2.96Å; R1077-E1117 IonicContact NH2-OE2 3.9Å; R1077-E1117 PolarHBondContact NH2-OE2 2.99Å |
| 1078 | W | 84.6 | Confident | 69.7 | Low | 12 Ų | 12 | 83.3 Ų | 83.3 | 5% | 0.045 | 42% | 0.415 | C | S | . | . | trans | -144.5 | 166.1 | 178.2 | 59.3 | 95.2 | 0 | 0 | 0 | 111.4 | P1061 V1064 I1076 C1092 I1111 K1115 S1116 F1118 L1133 | P1061-W1078 HydrophobicContact CB-CB 4.05Å; P1061-W1078 HydrophobicContact CB-CG 4.04Å; V1064-W1078 HydrophobicContact CG2-CB 3.96Å; I1076-W1078 HydrophobicContact CG2-CZ3 4.05Å; W1078-C1092 HydrophobicContact CZ2-CB 3.88Å; W1078-C1092 PolarHBondContact NE1-SG 3.3Å; W1078-I1111 HydrophobicContact CH2-CB 4.22Å; W1078-I1111 HydrophobicContact CH2-CD1 3.89Å; W1078-I1111 HydrophobicContact CH2-CG1 4.13Å; W1078-I1111 HydrophobicContact CH2-CG2 4Å; W1078-I1111 HydrophobicContact CZ2-CB 4.24Å; W1078-I1111 HydrophobicContact CZ2-CD1 4.5Å; W1078-I1111 HydrophobicContact CZ2-CG2 3.93Å; W1078-K1115 VanDerWaalsContact CZ2-O 3.31Å; W1078-K1115 WeakPolarHBondContact CZ2-O 3.37Å; W1078-S1116 PolarHBondContact N-O 3.44Å; W1078-S1116 VanDerWaalsContact O-CB 3.24Å; W1078-S1116 WeakPolarHBondContact O-CB 3.44Å; W1078-F1118 HydrophobicContact CH2-CB 4.14Å; W1078-F1118 HydrophobicContact CZ3-CB 4.17Å; W1078-L1133 HydrophobicContact CD2-CD2 3.67Å; W1078-L1133 HydrophobicContact CE3-CD2 3.47Å; W1078-L1133 VanDerWaalsContact CE3-CD2 3.47Å; W1078-L1133 HydrophobicContact CG-CD2 4.39Å; W1078-L1133 HydrophobicContact CH2-CD2 3.96Å; W1078-L1133 HydrophobicContact CZ2-CD2 4.11Å; W1078-L1133 HydrophobicContact CZ3-CD2 3.65Å | ||
| 1079 | N | 79.1 | Confident | 69.2 | Low | 76 Ų | 76 | 83.3 Ų | 83.3 | 41% | 0.406 | 41% | 0.414 | S | S | . | . | trans | -72.3 | 143.4 | 173.3 | -72.4 | -8.3 | 0 | 0 | 0 | 111 | E1062 N1063 I1081 | E1062-N1079 WeakPolarHBondContact O-CB 3.42Å; E1062-N1079 PolarHBondContact O-N 2.84Å; N1063-N1079 PolarHBondContact ND2-ND2 3.23Å; N1079-I1081 PolarHBondContact O-N 2.96Å | ||
| 1080 | E | 70.4 | Confident | 69.1 | Low | 147 Ų | 147 | 82 Ų | 82 | 69% | 0.687 | 41% | 0.408 | S | S | * | . | trans | -60.4 | 133.5 | 173.2 | -166 | 179.6 | 177.9 | 0 | 0 | 111.3 | K1082 | E1080-K1082 PolarHBondContact O-N 3.19Š| ||
| 1081 | I | 68.4 | Low | 69.4 | Low | 43 Ų | 43 | 78.1 Ų | 78.1 | 22% | 0.221 | 39% | 0.392 | C | S | . | . | trans | -80.4 | 115.1 | -175 | -55.2 | 174.5 | 0 | 0 | 0 | 109.5 | P1061 N1079 K1083 I1090 S1135 | P1061-I1081 HydrophobicContact CG-CD1 4.26Å; N1079-I1081 PolarHBondContact O-N 2.96Å; I1081-K1083 PolarHBondContact O-N 3.38Å; I1081-I1090 HydrophobicContact CD1-CG2 4.09Å; I1081-S1135 VanDerWaalsContact CD1-CB 3.49Å | ||
| 1082 | K | 60.3 | Low | 70.1 | Confident | 202 Ų | 202 | 76 Ų | 76 | 88% | 0.878 | 38% | 0.379 | S | S | * | . | trans | -63.9 | 127.8 | 177.9 | -69 | -175.1 | 178.6 | -179.6 | 0 | 111.1 | E1080 D1084 | E1080-K1082 PolarHBondContact O-N 3.19Å; K1082-D1084 PolarHBondContact O-N 3.47Å | ||
| 1083 | K | 54.4 | Low | 70.5 | Confident | 157 Ų | 157 | 72 Ų | 72 | 68% | 0.683 | 36% | 0.357 | S | S | * | . | trans | -81.7 | 106.3 | 178.2 | -64.1 | -177.1 | -176.8 | -173.9 | 0 | 110.1 | I1081 | I1081-K1083 PolarHBondContact O-N 3.38Š| ||
| 1084 | D | 50 | Low | 70.8 | Confident | 124 Ų | 124 | 70.2 Ų | 70.2 | 66% | 0.663 | 35% | 0.349 | S | S | * | . | trans | -80.5 | 148.9 | 166.6 | -114.6 | -29.5 | 0 | 0 | 0 | 110.6 | K1082 T1086 F1087 | K1082-D1084 PolarHBondContact O-N 3.47Å; D1084-T1086 PolarHBondContact O-N 2.7Å; D1084-F1087 PolarHBondContact O-N 2.88Å | ||
| 1085 | L | 49.2 | Very low | 70.7 | Confident | 178 Ų | 178 | 71.6 Ų | 71.6 | 93% | 0.932 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -2.5 | -164.1 | -81.3 | 150.6 | 0 | 0 | 0 | 117.2 | ||
| 1086 | T | 51.8 | Low | 70.7 | Confident | 102 Ų | 102 | 71.1 Ų | 71.1 | 63% | 0.626 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.1 | -5.9 | 179.3 | 53 | 0 | 0 | 0 | 0 | 115.1 | D1084 | D1084-T1086 PolarHBondContact O-N 2.7Š|
| 1087 | F | 50.2 | Low | 70.5 | Confident | 49 Ų | 49 | 73.2 Ų | 73.2 | 22% | 0.215 | 36% | 0.359 | C | S | . | . | trans | -135.8 | 89.7 | -173.5 | -55.7 | -69.4 | 0 | 0 | 0 | 113.9 | P1055 D1084 I1090 N1137 | P1055-F1087 HydrophobicContact CB-CZ 3.89Å; P1055-F1087 HydrophobicContact CG-CE1 3.88Å; P1055-F1087 HydrophobicContact CG-CZ 3.55Å; D1084-F1087 PolarHBondContact O-N 2.88Å; F1087-I1090 HydrophobicContact CB-CD1 3.95Å; F1087-I1090 HydrophobicContact CB-CG1 4.27Å; F1087-N1137 VanDerWaalsContact CD1-ND2 3.26Å; F1087-N1137 WeakPolarHBondContact CD1-ND2 3.36Å | ||
| 1088 | T | 55.4 | Low | 70.2 | Confident | 103 Ų | 103 | 68.7 Ų | 68.7 | 63% | 0.632 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -82.5 | -12.3 | -173 | 46.1 | 0 | 0 | 0 | 0 | 116.1 | ||
| 1089 | N | 64.8 | Low | 69.6 | Low | 88 Ų | 88 | 69.8 Ų | 69.8 | 47% | 0.471 | 35% | 0.354 | S | S | . | . | trans | -135.4 | 86.4 | -177.9 | -59.3 | -33.3 | 0 | 0 | 0 | 113.5 | N1137 T1138 | N1089-N1137 CarbonylContact O-C 3.55Å; N1089-N1137 WeakPolarHBondContact O-CA 3.05Å; N1089-T1138 WeakPolarHBondContact CB-OG1 3.29Å; N1089-T1138 PolarHBondContact O-N 2.91Å; N1089-T1138 PolarHBondContact O-OG1 2.87Å | ||
| 1090 | I | 70.3 | Confident | 69 | Low | 40 Ų | 40 | 70.3 Ų | 70.3 | 21% | 0.205 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 128.8 | 175.7 | -57.7 | 174.5 | 0 | 0 | 0 | 109.7 | I1081 F1087 F1136 | I1081-I1090 HydrophobicContact CD1-CG2 4.09Å; F1087-I1090 HydrophobicContact CB-CD1 3.95Å; F1087-I1090 HydrophobicContact CB-CG1 4.27Å; I1090-F1136 CarbonylContact C-O 3.51Å; I1090-F1136 VanDerWaalsContact CA-O 3.31Å; I1090-F1136 WeakPolarHBondContact CA-O 3.08Å |
| 1091 | C | 79.9 | Confident | 68.2 | Low | 12 Ų | 12 | 67.7 Ų | 67.7 | 8% | 0.081 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 164.1 | 172.1 | -68 | 0 | 0 | 0 | 0 | 111 | C1112 S1135 F1136 T1138 | C1091-C1112 HydrophobicContact CB-CB 4.09Å; C1091-C1112 WeakPolarHBondContact CB-SG 3.1Å; C1091-C1112 WeakPolarHBondContact SG-CA 3.47Å; C1091-C1112 WeakPolarHBondContact SG-CB 3.36Å; C1091-C1112 CovalentContact SG-SG 2.05Å; C1091-C1112 PolarHBondContact SG-SG 2.82Å; C1091-S1135 CarbonylContact O-C 3.57Å; C1091-S1135 VanDerWaalsContact O-CA 3.25Å; C1091-S1135 WeakPolarHBondContact O-CA 3.17Å; C1091-F1136 HydrophobicContact CB-CD1 4.01Å; C1091-F1136 HydrophobicContact CB-CE1 3.4Å; C1091-F1136 HydrophobicContact CB-CE2 4.09Å; C1091-F1136 HydrophobicContact CB-CZ 3.45Å; C1091-F1136 VanDerWaalsContact CB-CZ 3.45Å; C1091-F1136 PolarHBondContact N-O 3.06Å; C1091-F1136 WeakPolarHBondContact O-CD1 3.3Å; C1091-F1136 PolarHBondContact O-N 3.27Å; C1091-T1138 HydrophobicContact CB-CG2 4.22Å; C1091-T1138 WeakPolarHBondContact SG-CG2 3.28Å |
| 1092 | C | 83.4 | Confident | 67.9 | Low | 5 Ų | 5 | 71.5 Ų | 71.5 | 3% | 0.034 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 147.3 | 170.7 | -76.4 | 0 | 0 | 0 | 0 | 110.9 | W1078 N1110 I1111 L1133 K1134 | W1078-C1092 HydrophobicContact CZ2-CB 3.88Å; W1078-C1092 PolarHBondContact NE1-SG 3.3Å; C1092-N1110 CarbonylContact O-C 3.53Å; C1092-I1111 HydrophobicContact CB-CB 4.41Å; C1092-I1111 PolarHBondContact N-O 3.27Å; C1092-I1111 WeakPolarHBondContact O-CA 2.74Å; C1092-I1111 PolarHBondContact O-N 3.05Å; C1092-L1133 HydrophobicContact CB-CD2 4.33Å; C1092-K1134 CarbonylContact C-O 3.57Å; C1092-K1134 WeakPolarHBondContact CA-O 3.48Å |
| 1093 | S | 86.1 | Confident | 67.6 | Low | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 117.2 | 174.7 | -162.9 | 0 | 0 | 0 | 0 | 108.6 | Q1108 F1109 N1110 L1133 K1134 | S1093-Q1108 VanDerWaalsContact OG-CG 3.26Å; S1093-Q1108 WeakPolarHBondContact OG-CG 3.39Å; S1093-Q1108 PolarHBondContact OG-NE2 2.77Å; S1093-F1109 WeakPolarHBondContact CA-O 3.47Å; S1093-N1110 VanDerWaalsContact CB-OD1 3.31Å; S1093-N1110 WeakPolarHBondContact CB-OD1 3.48Å; S1093-N1110 PolarHBondContact OG-OD1 3.33Å; S1093-L1133 CarbonylContact O-C 3.44Å; S1093-L1133 WeakPolarHBondContact O-CA 3.47Å; S1093-K1134 PolarHBondContact N-O 2.77Å; S1093-K1134 PolarHBondContact O-N 2.81Å |
| 1094 | L | 86.8 | Confident | 67.7 | Low | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 128.4 | -179.3 | 175.3 | 70.5 | 0 | 0 | 0 | 109.5 | I1076 V1096 Q1108 F1109 I1111 F1118 V1120 V1131 L1133 | I1076-L1094 HydrophobicContact CD1-CD1 3.91Å; I1076-L1094 HydrophobicContact CG2-CD1 3.91Å; I1076-L1094 HydrophobicContact CG2-CD2 3.78Å; I1076-L1094 HydrophobicContact CG2-CG 4.5Å; L1094-V1096 HydrophobicContact CD1-CG2 4.44Å; L1094-V1096 HydrophobicContact CD2-CG2 4.12Å; L1094-V1096 HydrophobicContact CG-CG2 3.95Å; L1094-Q1108 CarbonylContact O-C 3.58Å; L1094-Q1108 WeakPolarHBondContact O-CA 3.43Å; L1094-F1109 HydrophobicContact CB-CB 4.3Å; L1094-F1109 HydrophobicContact CD2-CD2 4.37Å; L1094-F1109 PolarHBondContact N-O 2.7Å; L1094-F1109 PolarHBondContact O-N 2.74Å; L1094-I1111 HydrophobicContact CB-CD1 3.64Å; L1094-F1118 HydrophobicContact CD2-CB 4.45Å; L1094-F1118 HydrophobicContact CD2-CD1 3.43Å; L1094-F1118 VanDerWaalsContact CD2-CD1 3.43Å; L1094-F1118 HydrophobicContact CD2-CE1 4.06Å; L1094-F1118 HydrophobicContact CD2-CG 4.28Å; L1094-V1120 HydrophobicContact CD2-CG2 3.68Å; L1094-V1131 HydrophobicContact CD1-CG1 3.44Å; L1094-V1131 VanDerWaalsContact CD1-CG1 3.44Å; L1094-V1131 HydrophobicContact CG-CG1 4.45Å; L1094-L1133 HydrophobicContact CD1-CD1 3.89Å; L1094-L1133 HydrophobicContact CD1-CD2 4.48Å; L1094-L1133 HydrophobicContact CD1-CG 3.81Å |
| 1095 | Y | 84.8 | Confident | 68.2 | Low | 29 Ų | 29 | 67.1 Ų | 67.1 | 11% | 0.114 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 125.4 | 178.9 | -66.2 | -93.2 | 0 | 0 | 0 | 109.6 | F1106 N1107 Q1108 V1131 Y1132 K1134 | Y1095-F1106 HydrophobicContact CD1-CB 3.89Å; Y1095-F1106 HydrophobicContact CD1-CG 4.46Å; Y1095-N1107 WeakPolarHBondContact CA-O 3.45Å; Y1095-Q1108 HydrophobicContact CD1-CB 4.12Å; Y1095-Q1108 HydrophobicContact CD1-CG 4.14Å; Y1095-Q1108 HydrophobicContact CE1-CB 3.94Å; Y1095-Q1108 HydrophobicContact CE1-CG 3.62Å; Y1095-Q1108 PolarHBondContact OH-NE2 2.8Å; Y1095-V1131 VanDerWaalsContact O-CA 3.3Å; Y1095-V1131 WeakPolarHBondContact O-CA 3.35Å; Y1095-Y1132 AromaticContact CD2-CD2 3.93Å; Y1095-Y1132 HydrophobicContact CD2-CD2 3.93Å; Y1095-Y1132 AromaticContact CD2-CE2 3.29Å; Y1095-Y1132 HydrophobicContact CD2-CE2 3.29Å; Y1095-Y1132 AromaticContact CD2-CZ 3.84Å; Y1095-Y1132 AromaticContact CE2-CE2 3.97Å; Y1095-Y1132 HydrophobicContact CE2-CE2 3.97Å; Y1095-Y1132 HydrophobicContact CG-CD2 4.39Å; Y1095-Y1132 HydrophobicContact CG-CE1 4.41Å; Y1095-Y1132 AromaticContact CG-CE2 3.63Å; Y1095-Y1132 HydrophobicContact CG-CE2 3.63Å; Y1095-Y1132 AromaticContact CG-CZ 3.66Å; Y1095-Y1132 PolarHBondContact N-O 2.8Å; Y1095-Y1132 PolarHBondContact O-N 2.99Å; Y1095-Y1132 VanDerWaalsContact O-N 3.17Å; Y1095-K1134 HydrophobicContact CE2-CB 4.38Å; Y1095-K1134 HydrophobicContact CE2-CD 3.97Å; Y1095-K1134 HydrophobicContact CE2-CG 4.37Å |
| 1096 | V | 84.6 | Confident | 69.4 | Low | 3 Ų | 3 | 61 Ų | 61 | 2% | 0.018 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 128.6 | -177.3 | -175.8 | 0 | 0 | 0 | 0 | 110.5 | F1074 L1094 N1107 F1109 V1120 L1123 Y1129 V1131 | F1074-V1096 HydrophobicContact CE1-CG1 4Å; F1074-V1096 HydrophobicContact CZ-CG1 3.81Å; F1074-V1096 HydrophobicContact CZ-CG2 3.91Å; L1094-V1096 HydrophobicContact CD1-CG2 4.44Å; L1094-V1096 HydrophobicContact CD2-CG2 4.12Å; L1094-V1096 HydrophobicContact CG-CG2 3.95Å; V1096-N1107 PolarHBondContact N-O 2.7Å; V1096-N1107 PolarHBondContact O-N 3.3Å; V1096-F1109 HydrophobicContact CG2-CD2 4.47Å; V1096-F1109 HydrophobicContact CG2-CE2 4.29Å; V1096-V1120 HydrophobicContact CG1-CG1 4.32Å; V1096-V1120 HydrophobicContact CG2-CG1 4.32Å; V1096-V1120 HydrophobicContact CG2-CG2 4.03Å; V1096-L1123 HydrophobicContact CG1-CD2 4.3Å; V1096-Y1129 HydrophobicContact CG1-CD1 3.61Å; V1096-Y1129 HydrophobicContact CG1-CE1 4.28Å; V1096-Y1129 HydrophobicContact CG1-CG 4.37Å; V1096-V1131 HydrophobicContact CB-CG2 4.4Å; V1096-V1131 HydrophobicContact CG1-CG2 4.02Å; V1096-V1131 HydrophobicContact CG2-CG1 4.09Å; V1096-V1131 HydrophobicContact CG2-CG2 4.18Å |
| 1097 | R | 82.7 | Confident | 70.6 | Confident | 45 Ų | 45 | 61.3 Ų | 61.3 | 17% | 0.17 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 158.5 | 169.6 | 77.5 | 172.9 | -178.7 | -177.3 | 2.1 | 113.2 | I1102 F1106 Y1129 T1130 | R1097-I1102 PolarHBondContact NH1-O 2.92Å; R1097-F1106 HydrophobicContact CB-CD1 3.77Å; R1097-F1106 HydrophobicContact CB-CE1 4.06Å; R1097-F1106 HydrophobicContact CB-CG 4.12Å; R1097-F1106 VanDerWaalsContact CD-CE2 3.43Å; R1097-F1106 VanDerWaalsContact CD-CZ 3.41Å; R1097-F1106 HydrophobicContact CG-CD1 3.66Å; R1097-F1106 HydrophobicContact CG-CD2 4.35Å; R1097-F1106 HydrophobicContact CG-CE1 3.41Å; R1097-F1106 VanDerWaalsContact CG-CE1 3.41Å; R1097-F1106 HydrophobicContact CG-CE2 4.12Å; R1097-F1106 HydrophobicContact CG-CG 4.15Å; R1097-F1106 HydrophobicContact CG-CZ 3.65Å; R1097-F1106 VanDerWaalsContact CZ-CE2 3.46Å; R1097-F1106 VanDerWaalsContact NE-CE2 3.35Å; R1097-Y1129 CarbonylContact O-C 3.58Å; R1097-Y1129 VanDerWaalsContact O-CA 3.28Å; R1097-Y1129 WeakPolarHBondContact O-CA 3.14Å; R1097-Y1129 VanDerWaalsContact O-CD1 3.3Å; R1097-Y1129 WeakPolarHBondContact O-CD1 3.34Å; R1097-T1130 PolarHBondContact N-O 2.88Å; R1097-T1130 PolarHBondContact O-N 3.14Å |
| 1098 | P | 77.7 | Confident | 72.2 | Confident | 28 Ų | 28 | 63.2 Ų | 63.2 | 18% | 0.182 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 137.3 | 164.5 | -19.7 | 33.2 | 0 | 0 | 0 | 111.5 | T1127 N1128 Y1129 | P1098-T1127 HydrophobicContact CB-CG2 3.72Å; P1098-T1127 HydrophobicContact CG-CG2 4.4Å; P1098-N1128 CarbonylContact C-O 3.59Å; P1098-Y1129 HydrophobicContact CB-CE1 4.49Å; P1098-Y1129 HydrophobicContact CG-CE1 3.82Å |
| 1099 | T | 71.9 | Confident | 73.5 | Confident | 35 Ų | 35 | 61.7 Ų | 61.7 | 22% | 0.215 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -74.7 | -30.7 | -171.2 | -56.1 | 0 | 0 | 0 | 0 | 112.4 | N1128 T1130 L1151 | T1099-N1128 WeakPolarHBondContact CB-O 3.28Å; T1099-N1128 PolarHBondContact N-O 2.89Å; T1099-N1128 VanDerWaalsContact OG1-C 3.24Å; T1099-N1128 PolarHBondContact OG1-O 3.04Å; T1099-T1130 WeakPolarHBondContact CG2-OG1 2.86Å; T1099-T1130 PolarHBondContact OG1-N 3.43Å; T1099-T1130 VanDerWaalsContact OG1-N 3.16Å; T1099-T1130 PolarHBondContact OG1-OG1 2.88Å; T1099-L1151 HydrophobicContact CG2-CD1 4.06Å |
| 1100 | L | 65.1 | Low | 74.3 | Confident | 87 Ų | 87 | 61.8 Ų | 61.8 | 46% | 0.455 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -73.2 | -30.7 | -180 | -76.8 | 169.4 | 0 | 0 | 0 | 115 | I1102 D1186 | L1100-I1102 PolarHBondContact O-N 2.82Å; L1100-D1186 HydrophobicContact CD1-CB 3.69Å; L1100-D1186 WeakPolarHBondContact CD1-OD1 3.39Å; L1100-D1186 WeakPolarHBondContact CD1-OD2 3.25Å; L1100-D1186 HydrophobicContact CG-CB 4.23Å; L1100-D1186 VanDerWaalsContact CG-CG 3.41Å; L1100-D1186 WeakPolarHBondContact CG-OD1 3.44Å |
| 1101 | N | 55.5 | Low | 74.9 | Confident | 91 Ų | 91 | 60.4 Ų | 60.4 | 49% | 0.487 | 31% | 0.312 | S | S | . | . | trans | -95.5 | 84.7 | -179.6 | -90.1 | -8.1 | 0 | 0 | 0 | 110.8 | N1103 D1104 | N1101-N1103 PolarHBondContact O-N 2.91Å; N1101-D1104 HydrophobicContact CB-CB 4.02Å; N1101-D1104 WeakPolarHBondContact CB-OD2 3.24Å; N1101-D1104 PolarHBondContact ND2-OD2 3.04Å; N1101-D1104 PolarHBondContact O-N 3.49Å | ||
| 1102 | I | 60.3 | Low | 74.7 | Confident | 123 Ų | 123 | 62 Ų | 62 | 63% | 0.631 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -25.2 | 177 | -57.9 | 169.8 | 0 | 0 | 0 | 111.5 | R1097 L1100 | R1097-I1102 PolarHBondContact NH1-O 2.92Å; L1100-I1102 PolarHBondContact O-N 2.82Å |
| 1103 | N | 55.8 | Low | 74.2 | Confident | 160 Ų | 160 | 69.2 Ų | 69.2 | 86% | 0.856 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -13.6 | -179.7 | -65.3 | -16.8 | 0 | 0 | 0 | 114.6 | N1101 | N1101-N1103 PolarHBondContact O-N 2.91Š|
| 1104 | D | 56.4 | Low | 73.3 | Confident | 80 Ų | 80 | 71.6 Ų | 71.6 | 43% | 0.428 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -80.2 | 132.9 | 175.5 | -84.9 | -33.6 | 0 | 0 | 0 | 110.7 | N1101 | N1101-D1104 HydrophobicContact CB-CB 4.02Å; N1101-D1104 WeakPolarHBondContact CB-OD2 3.24Å; N1101-D1104 PolarHBondContact ND2-OD2 3.04Å; N1101-D1104 PolarHBondContact O-N 3.49Å |
| 1105 | N | 60.1 | Low | 72.7 | Confident | 152 Ų | 152 | 78.4 Ų | 78.4 | 81% | 0.813 | 42% | 0.415 | S | S | * | . | P | Polyproline II helix | trans | -64 | 136 | 177.9 | -77.1 | -31.5 | 0 | 0 | 0 | 110.6 | N1107 | N1105-N1107 PolarHBondContact O-N 3.14Š|
| 1106 | F | 73.2 | Confident | 72.4 | Confident | 50 Ų | 50 | 79 Ų | 79 | 22% | 0.219 | 42% | 0.423 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 131.7 | 172.3 | -79.1 | -94.3 | 0 | 0 | 0 | 110.3 | Y1095 R1097 Q1108 T1130 Y1132 | Y1095-F1106 HydrophobicContact CD1-CB 3.89Å; Y1095-F1106 HydrophobicContact CD1-CG 4.46Å; R1097-F1106 HydrophobicContact CB-CD1 3.77Å; R1097-F1106 HydrophobicContact CB-CE1 4.06Å; R1097-F1106 HydrophobicContact CB-CG 4.12Å; R1097-F1106 VanDerWaalsContact CD-CE2 3.43Å; R1097-F1106 VanDerWaalsContact CD-CZ 3.41Å; R1097-F1106 HydrophobicContact CG-CD1 3.66Å; R1097-F1106 HydrophobicContact CG-CD2 4.35Å; R1097-F1106 HydrophobicContact CG-CE1 3.41Å; R1097-F1106 VanDerWaalsContact CG-CE1 3.41Å; R1097-F1106 HydrophobicContact CG-CE2 4.12Å; R1097-F1106 HydrophobicContact CG-CG 4.15Å; R1097-F1106 HydrophobicContact CG-CZ 3.65Å; R1097-F1106 VanDerWaalsContact CZ-CE2 3.46Å; R1097-F1106 VanDerWaalsContact NE-CE2 3.35Å; F1106-Q1108 PolarHBondContact O-N 3.13Å; F1106-T1130 HydrophobicContact CE1-CG2 4.4Å; F1106-T1130 HydrophobicContact CZ-CG2 4.46Å; F1106-Y1132 HydrophobicContact CD1-CE1 4.17Å; F1106-Y1132 HydrophobicContact CE1-CD1 4.1Å; F1106-Y1132 AromaticContact CE1-CE1 3.57Å; F1106-Y1132 HydrophobicContact CE1-CE1 3.57Å; F1106-Y1132 HydrophobicContact CE2-CE1 4.22Å; F1106-Y1132 HydrophobicContact CZ-CD1 4.38Å; F1106-Y1132 AromaticContact CZ-CE1 3.62Å; F1106-Y1132 HydrophobicContact CZ-CE1 3.62Å |
| 1107 | N | 77.3 | Confident | 72.5 | Confident | 108 Ų | 108 | 83.5 Ų | 83.5 | 58% | 0.578 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 117.9 | 165.8 | -74.4 | -36 | 0 | 0 | 0 | 108.6 | Y1095 V1096 N1105 F1109 | Y1095-N1107 WeakPolarHBondContact CA-O 3.45Å; V1096-N1107 PolarHBondContact N-O 2.7Å; V1096-N1107 PolarHBondContact O-N 3.3Å; N1105-N1107 PolarHBondContact O-N 3.14Å; N1107-F1109 HydrophobicContact CB-CE2 3.89Å; N1107-F1109 HydrophobicContact CB-CZ 4.18Å |
| 1108 | Q | 83.5 | Confident | 72.6 | Confident | 89 Ų | 89 | 84.4 Ų | 84.4 | 42% | 0.416 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 125.7 | -176.6 | -175.4 | -177.2 | 7.1 | 0 | 0 | 110.8 | S1093 L1094 Y1095 F1106 N1110 | S1093-Q1108 VanDerWaalsContact OG-CG 3.26Å; S1093-Q1108 WeakPolarHBondContact OG-CG 3.39Å; S1093-Q1108 PolarHBondContact OG-NE2 2.77Å; L1094-Q1108 CarbonylContact O-C 3.58Å; L1094-Q1108 WeakPolarHBondContact O-CA 3.43Å; Y1095-Q1108 HydrophobicContact CD1-CB 4.12Å; Y1095-Q1108 HydrophobicContact CD1-CG 4.14Å; Y1095-Q1108 HydrophobicContact CE1-CB 3.94Å; Y1095-Q1108 HydrophobicContact CE1-CG 3.62Å; Y1095-Q1108 PolarHBondContact OH-NE2 2.8Å; F1106-Q1108 PolarHBondContact O-N 3.13Å; Q1108-N1110 PolarHBondContact NE2-OD1 2.78Å |
| 1109 | F | 83 | Confident | 73.1 | Confident | 70 Ų | 70 | 86.2 Ų | 86.2 | 31% | 0.307 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 114 | 175.2 | -55.2 | -87.9 | 0 | 0 | 0 | 109.8 | S1093 L1094 V1096 N1107 I1111 F1118 V1120 | S1093-F1109 WeakPolarHBondContact CA-O 3.47Å; L1094-F1109 HydrophobicContact CB-CB 4.3Å; L1094-F1109 HydrophobicContact CD2-CD2 4.37Å; L1094-F1109 PolarHBondContact N-O 2.7Å; L1094-F1109 PolarHBondContact O-N 2.74Å; V1096-F1109 HydrophobicContact CG2-CD2 4.47Å; V1096-F1109 HydrophobicContact CG2-CE2 4.29Å; N1107-F1109 HydrophobicContact CB-CE2 3.89Å; N1107-F1109 HydrophobicContact CB-CZ 4.18Å; F1109-I1111 VanDerWaalsContact O-CD1 3.28Å; F1109-I1111 WeakPolarHBondContact O-CD1 3.45Å; F1109-F1118 HydrophobicContact CB-CE1 3.81Å; F1109-F1118 HydrophobicContact CB-CZ 3.86Å; F1109-F1118 AromaticContact CD1-CE1 3.82Å; F1109-F1118 HydrophobicContact CD1-CE1 3.82Å; F1109-F1118 AromaticContact CD1-CZ 3.65Å; F1109-F1118 HydrophobicContact CD1-CZ 3.65Å; F1109-F1118 HydrophobicContact CD2-CE1 4.11Å; F1109-F1118 HydrophobicContact CE1-CE1 4.41Å; F1109-F1118 HydrophobicContact CE1-CZ 4.39Å; F1109-F1118 AromaticContact CG-CE1 3.64Å; F1109-F1118 HydrophobicContact CG-CE1 3.64Å; F1109-F1118 AromaticContact CG-CZ 3.84Å; F1109-F1118 HydrophobicContact CG-CZ 3.84Å; F1109-V1120 HydrophobicContact CE2-CG1 4.32Å |
| 1110 | N | 81.4 | Confident | 73.6 | Confident | 91 Ų | 91 | 84.8 Ų | 84.8 | 49% | 0.487 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 114.3 | 177.9 | -70.4 | -27.8 | 0 | 0 | 0 | 110.7 | C1092 S1093 Q1108 | C1092-N1110 CarbonylContact O-C 3.53Å; S1093-N1110 VanDerWaalsContact CB-OD1 3.31Å; S1093-N1110 WeakPolarHBondContact CB-OD1 3.48Å; S1093-N1110 PolarHBondContact OG-OD1 3.33Å; Q1108-N1110 PolarHBondContact NE2-OD1 2.78Å |
| 1111 | I | 83.9 | Confident | 74.3 | Confident | 11 Ų | 11 | 84.5 Ų | 84.5 | 6% | 0.056 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 101.8 | 179.8 | -53.3 | 108.9 | 0 | 0 | 0 | 109.3 | W1078 C1092 L1094 F1109 K1115 F1118 | W1078-I1111 HydrophobicContact CH2-CB 4.22Å; W1078-I1111 HydrophobicContact CH2-CD1 3.89Å; W1078-I1111 HydrophobicContact CH2-CG1 4.13Å; W1078-I1111 HydrophobicContact CH2-CG2 4Å; W1078-I1111 HydrophobicContact CZ2-CB 4.24Å; W1078-I1111 HydrophobicContact CZ2-CD1 4.5Å; W1078-I1111 HydrophobicContact CZ2-CG2 3.93Å; C1092-I1111 HydrophobicContact CB-CB 4.41Å; C1092-I1111 PolarHBondContact N-O 3.27Å; C1092-I1111 WeakPolarHBondContact O-CA 2.74Å; C1092-I1111 PolarHBondContact O-N 3.05Å; L1094-I1111 HydrophobicContact CB-CD1 3.64Å; F1109-I1111 VanDerWaalsContact O-CD1 3.28Å; F1109-I1111 WeakPolarHBondContact O-CD1 3.45Å; I1111-K1115 HydrophobicContact CG2-CB 3.62Å; I1111-K1115 HydrophobicContact CG2-CD 4.48Å; I1111-F1118 HydrophobicContact CD1-CB 4.31Å; I1111-F1118 HydrophobicContact CD1-CD2 4.49Å; I1111-F1118 HydrophobicContact CD1-CG 4.28Å; I1111-F1118 HydrophobicContact CG1-CB 4.23Å; I1111-F1118 HydrophobicContact CG1-CD2 3.85Å; I1111-F1118 HydrophobicContact CG1-CE2 4.46Å; I1111-F1118 HydrophobicContact CG1-CG 4.1Å |
| 1112 | C | 75.4 | Confident | 75.4 | Confident | 45 Ų | 45 | 85.5 Ų | 85.5 | 30% | 0.304 | 47% | 0.467 | S | S | . | . | trans | -105.8 | 177.6 | 177 | -73.3 | 0 | 0 | 0 | 0 | 112 | C1091 | C1091-C1112 HydrophobicContact CB-CB 4.09Å; C1091-C1112 WeakPolarHBondContact CB-SG 3.1Å; C1091-C1112 WeakPolarHBondContact SG-CA 3.47Å; C1091-C1112 WeakPolarHBondContact SG-CB 3.36Å; C1091-C1112 CovalentContact SG-SG 2.05Å; C1091-C1112 PolarHBondContact SG-SG 2.82Å | ||
| 1113 | N | 71.7 | Confident | 76.1 | Confident | 156 Ų | 156 | 80.4 Ų | 80.4 | 83% | 0.834 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.2 | 37.4 | 175.6 | -52.7 | -18.1 | 0 | 0 | 0 | 115.5 | K1115 | N1113-K1115 PolarHBondContact O-N 3.33Š|
| 1114 | G | 68.4 | Low | 76.6 | Confident | 50 Ų | 50 | 77.7 Ų | 77.7 | 52% | 0.515 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73 | 6.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 1115 | K | 73.3 | Confident | 77 | Confident | 144 Ų | 144 | 76.2 Ų | 76.2 | 63% | 0.626 | 42% | 0.421 | S | S | * | . | trans | -66.6 | 139.2 | 175.7 | -68.1 | -174.1 | 178.3 | -174.5 | 0 | 111.2 | W1078 I1111 N1113 | W1078-K1115 VanDerWaalsContact CZ2-O 3.31Å; W1078-K1115 WeakPolarHBondContact CZ2-O 3.37Å; I1111-K1115 HydrophobicContact CG2-CB 3.62Å; I1111-K1115 HydrophobicContact CG2-CD 4.48Å; N1113-K1115 PolarHBondContact O-N 3.33Å | ||
| 1116 | S | 80.2 | Confident | 77.2 | Confident | 42 Ų | 42 | 71.6 Ų | 71.6 | 29% | 0.294 | 39% | 0.392 | S | S | . | . | trans | -120.6 | 14.5 | -177 | 78.1 | 0 | 0 | 0 | 0 | 114 | R1077 W1078 | R1077-S1116 CarbonylContact C-O 3.59Å; R1077-S1116 WeakPolarHBondContact CA-O 3.42Å; W1078-S1116 PolarHBondContact N-O 3.44Å; W1078-S1116 VanDerWaalsContact O-CB 3.24Å; W1078-S1116 WeakPolarHBondContact O-CB 3.44Å | ||
| 1117 | E | 85 | Confident | 76.9 | Confident | 97 Ų | 97 | 70.1 Ų | 70.1 | 45% | 0.453 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 153.4 | 174.8 | 64 | 179.5 | -144.7 | 0 | 0 | 113.1 | I1076 R1077 | I1076-E1117 CarbonylContact O-C 3.6Å; I1076-E1117 VanDerWaalsContact O-CA 3.29Å; I1076-E1117 WeakPolarHBondContact O-CA 3.34Å; R1077-E1117 HydrophobicContact CB-CB 4.3Å; R1077-E1117 HydrophobicContact CG-CB 3.82Å; R1077-E1117 IonicContact CZ-OE2 3.79Å; R1077-E1117 IonicContact NE-OE2 3.33Å; R1077-E1117 PolarHBondContact NE-OE2 2.96Å; R1077-E1117 IonicContact NH2-OE2 3.9Å; R1077-E1117 PolarHBondContact NH2-OE2 2.99Å |
| 1118 | F | 86.1 | Confident | 77 | Confident | 64 Ų | 64 | 65 Ų | 65 | 28% | 0.281 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 144.1 | 178.5 | -169 | -100.4 | 0 | 0 | 0 | 112.5 | I1076 W1078 L1094 F1109 I1111 V1120 | I1076-F1118 HydrophobicContact CG2-CB 4.25Å; I1076-F1118 WeakPolarHBondContact CG2-O 3.16Å; I1076-F1118 PolarHBondContact N-O 3.23Å; I1076-F1118 PolarHBondContact O-N 3.21Å; W1078-F1118 HydrophobicContact CH2-CB 4.14Å; W1078-F1118 HydrophobicContact CZ3-CB 4.17Å; L1094-F1118 HydrophobicContact CD2-CB 4.45Å; L1094-F1118 HydrophobicContact CD2-CD1 3.43Å; L1094-F1118 VanDerWaalsContact CD2-CD1 3.43Å; L1094-F1118 HydrophobicContact CD2-CE1 4.06Å; L1094-F1118 HydrophobicContact CD2-CG 4.28Å; F1109-F1118 HydrophobicContact CB-CE1 3.81Å; F1109-F1118 HydrophobicContact CB-CZ 3.86Å; F1109-F1118 AromaticContact CD1-CE1 3.82Å; F1109-F1118 HydrophobicContact CD1-CE1 3.82Å; F1109-F1118 AromaticContact CD1-CZ 3.65Å; F1109-F1118 HydrophobicContact CD1-CZ 3.65Å; F1109-F1118 HydrophobicContact CD2-CE1 4.11Å; F1109-F1118 HydrophobicContact CE1-CE1 4.41Å; F1109-F1118 HydrophobicContact CE1-CZ 4.39Å; F1109-F1118 AromaticContact CG-CE1 3.64Å; F1109-F1118 HydrophobicContact CG-CE1 3.64Å; F1109-F1118 AromaticContact CG-CZ 3.84Å; F1109-F1118 HydrophobicContact CG-CZ 3.84Å; I1111-F1118 HydrophobicContact CD1-CB 4.31Å; I1111-F1118 HydrophobicContact CD1-CD2 4.49Å; I1111-F1118 HydrophobicContact CD1-CG 4.28Å; I1111-F1118 HydrophobicContact CG1-CB 4.23Å; I1111-F1118 HydrophobicContact CG1-CD2 3.85Å; I1111-F1118 HydrophobicContact CG1-CE2 4.46Å; I1111-F1118 HydrophobicContact CG1-CG 4.1Å; F1118-V1120 HydrophobicContact CD1-CG2 3.98Å; F1118-V1120 HydrophobicContact CE1-CG2 4.09Å |
| 1119 | T | 86.9 | Confident | 76.8 | Confident | 66 Ų | 66 | 61.4 Ų | 61.4 | 41% | 0.405 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 131.6 | 178.4 | -61.3 | 0 | 0 | 0 | 0 | 111.1 | T1075 T1121 | T1075-T1119 WeakPolarHBondContact CG2-OG1 3.38Å; T1075-T1119 WeakPolarHBondContact OG1-CG2 3.33Å; T1075-T1119 PolarHBondContact OG1-OG1 2.57Å; T1119-T1121 HydrophobicContact CG2-CG2 4.32Å |
| 1120 | V | 82.2 | Confident | 76.9 | Confident | 5 Ų | 5 | 59.1 Ų | 59.1 | 3% | 0.03 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 127 | -178.6 | -170.7 | 0 | 0 | 0 | 0 | 109.3 | Q1073 F1074 L1094 V1096 F1109 F1118 L1123 | Q1073-V1120 CarbonylContact C-O 3.59Å; Q1073-V1120 WeakPolarHBondContact CA-O 3.3Å; Q1073-V1120 WeakPolarHBondContact CB-O 3.29Å; F1074-V1120 HydrophobicContact CD2-CG2 4.42Å; F1074-V1120 HydrophobicContact CE1-CB 4.24Å; F1074-V1120 HydrophobicContact CE1-CG1 4.5Å; F1074-V1120 HydrophobicContact CE2-CB 4.03Å; F1074-V1120 HydrophobicContact CE2-CG2 3.66Å; F1074-V1120 HydrophobicContact CZ-CB 3.84Å; F1074-V1120 HydrophobicContact CZ-CG1 4.27Å; F1074-V1120 HydrophobicContact CZ-CG2 3.72Å; F1074-V1120 PolarHBondContact N-O 2.98Å; F1074-V1120 PolarHBondContact O-N 3.06Å; L1094-V1120 HydrophobicContact CD2-CG2 3.68Å; V1096-V1120 HydrophobicContact CG1-CG1 4.32Å; V1096-V1120 HydrophobicContact CG2-CG1 4.32Å; V1096-V1120 HydrophobicContact CG2-CG2 4.03Å; F1109-V1120 HydrophobicContact CE2-CG1 4.32Å; F1118-V1120 HydrophobicContact CD1-CG2 3.98Å; F1118-V1120 HydrophobicContact CE1-CG2 4.09Å; V1120-L1123 HydrophobicContact CG1-CD1 4.33Å; V1120-L1123 HydrophobicContact CG1-CD2 3.88Å; V1120-L1123 HydrophobicContact CG1-CG 4.35Å |
| 1121 | T | 81.7 | Confident | 77.1 | Confident | 81 Ų | 81 | 54.8 Ų | 54.8 | 50% | 0.497 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 171.4 | -176.1 | 57.1 | 0 | 0 | 0 | 0 | 111.8 | N1072 Q1073 T1119 | N1072-T1121 CarbonylContact O-C 3.6Å; Q1073-T1121 HydrophobicContact CB-CG2 4.19Å; T1119-T1121 HydrophobicContact CG2-CG2 4.32Å |
| 1122 | S | 77.6 | Confident | 77.3 | Confident | 111 Ų | 111 | 55.9 Ų | 55.9 | 78% | 0.776 | 32% | 0.315 | S | S | * | . | S | Bend | trans | 64.5 | 39.6 | 178.5 | -54.3 | 0 | 0 | 0 | 0 | 114.8 | N1072 | N1072-S1122 PolarHBondContact O-N 2.85Š|
| 1123 | L | 75.1 | Confident | 77.8 | Confident | 17 Ų | 17 | 53.8 Ų | 53.8 | 9% | 0.089 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -90 | 155 | 179 | -56 | 175.7 | 0 | 0 | 0 | 112.3 | N1072 F1074 V1096 V1120 Y1129 T1154 | N1072-L1123 VanDerWaalsContact CA-O 3.28Å; N1072-L1123 WeakPolarHBondContact CA-O 3.29Å; N1072-L1123 WeakPolarHBondContact CB-O 3.42Å; N1072-L1123 PolarHBondContact O-N 3.38Å; F1074-L1123 HydrophobicContact CD1-CD1 3.19Å; F1074-L1123 HydrophobicContact CE1-CD1 3.28Å; F1074-L1123 HydrophobicContact CG-CD1 4.29Å; F1074-L1123 HydrophobicContact CZ-CD1 4.41Å; V1096-L1123 HydrophobicContact CG1-CD2 4.3Å; V1120-L1123 HydrophobicContact CG1-CD1 4.33Å; V1120-L1123 HydrophobicContact CG1-CD2 3.88Å; V1120-L1123 HydrophobicContact CG1-CG 4.35Å; L1123-Y1129 HydrophobicContact CB-CD2 4.49Å; L1123-Y1129 HydrophobicContact CB-CE2 3.73Å; L1123-Y1129 HydrophobicContact CD1-CD2 4.47Å; L1123-Y1129 HydrophobicContact CD1-CE2 4.46Å; L1123-Y1129 HydrophobicContact CD2-CD1 4.15Å; L1123-Y1129 HydrophobicContact CD2-CE1 3.67Å; L1123-Y1129 HydrophobicContact CD2-CE2 4.23Å; L1123-Y1129 HydrophobicContact CG-CE2 4.37Å; L1123-T1154 HydrophobicContact CB-CG2 4.12Å; L1123-T1154 HydrophobicContact CD1-CG2 4.13Å |
| 1124 | L | 67.3 | Low | 78.4 | Confident | 102 Ų | 102 | 48.9 Ų | 48.9 | 53% | 0.534 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -73.2 | 135.2 | 172.6 | -69.2 | 168.4 | 0 | 0 | 0 | 109.8 | P1071 T1127 Y1129 T1154 | P1071-L1124 CarbonylContact O-C 3.59Å; L1124-T1127 HydrophobicContact CB-CG2 4.36Å; L1124-T1127 VanDerWaalsContact CB-OG1 3.24Å; L1124-T1127 WeakPolarHBondContact CB-OG1 3.3Å; L1124-T1127 WeakPolarHBondContact O-CB 3.36Å; L1124-T1127 PolarHBondContact O-OG1 2.81Å; L1124-Y1129 WeakPolarHBondContact CB-OH 2.88Å; L1124-Y1129 PolarHBondContact N-OH 2.93Å; L1124-Y1129 WeakPolarHBondContact O-CE2 3.37Å; L1124-T1154 WeakPolarHBondContact O-CB 3.38Å; L1124-T1154 PolarHBondContact O-OG1 3.08Å |
| 1125 | P | 62.8 | Low | 79.2 | Confident | 50 Ų | 50 | 46.5 Ų | 46.5 | 33% | 0.325 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | 155.3 | 177.3 | 33.9 | -37.5 | 0 | 0 | 0 | 112 | P1071 T1127 P1157 | P1071-P1125 HydrophobicContact CB-CB 3.73Å; P1071-P1125 WeakPolarHBondContact O-CA 3.48Å; P1071-P1125 VanDerWaalsContact O-CB 3.29Å; P1071-P1125 WeakPolarHBondContact O-CB 3.49Å; P1125-T1127 PolarHBondContact O-N 2.85Å; P1125-T1127 PolarHBondContact O-OG1 2.73Å; P1125-T1127 VanDerWaalsContact O-OG1 3.04Å; P1125-P1157 HydrophobicContact CB-CB 3.95Å; P1125-P1157 HydrophobicContact CB-CG 3.59Å; P1125-P1157 HydrophobicContact CG-CB 4.02Å; P1125-P1157 HydrophobicContact CG-CG 3.69Å |
| 1126 | R | 65.7 | Low | 79.3 | Confident | 55 Ų | 55 | 40.6 Ų | 40.6 | 21% | 0.208 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 30.2 | -173 | -150 | -171.6 | 81 | 150.9 | 2.3 | 114.4 | Y1153 T1154 | R1126-Y1153 HydrophobicContact CG-CE2 3.99Å; R1126-Y1153 WeakPolarHBondContact CG-OH 3.47Å; R1126-T1154 WeakPolarHBondContact CA-O 3.49Å; R1126-T1154 PolarHBondContact N-O 2.92Å; R1126-T1154 PolarHBondContact N-OG1 3.45Å |
| 1127 | T | 67.1 | Low | 78.9 | Confident | 19 Ų | 19 | 38.8 Ų | 38.8 | 12% | 0.117 | 21% | 0.209 | C | C | . | . | trans | -116.7 | 123.9 | -173.7 | -57.6 | 0 | 0 | 0 | 0 | 108.2 | P1098 L1124 P1125 Y1129 T1154 | P1098-T1127 HydrophobicContact CB-CG2 3.72Å; P1098-T1127 HydrophobicContact CG-CG2 4.4Å; L1124-T1127 HydrophobicContact CB-CG2 4.36Å; L1124-T1127 VanDerWaalsContact CB-OG1 3.24Å; L1124-T1127 WeakPolarHBondContact CB-OG1 3.3Å; L1124-T1127 WeakPolarHBondContact O-CB 3.36Å; L1124-T1127 PolarHBondContact O-OG1 2.81Å; P1125-T1127 PolarHBondContact O-N 2.85Å; P1125-T1127 PolarHBondContact O-OG1 2.73Å; P1125-T1127 VanDerWaalsContact O-OG1 3.04Å; T1127-Y1129 HydrophobicContact CG2-CD2 4.12Å; T1127-Y1129 HydrophobicContact CG2-CE2 3.7Å; T1127-Y1129 WeakPolarHBondContact O-CD2 3.49Å; T1127-Y1129 PolarHBondContact O-N 2.93Å; T1127-Y1129 VanDerWaalsContact O-N 3.16Å; T1127-T1154 PolarHBondContact N-OG1 2.92Å; T1127-T1154 PolarHBondContact O-N 2.97Å; T1127-T1154 PolarHBondContact O-OG1 3.09Å; T1127-T1154 VanDerWaalsContact O-OG1 3.12Å | ||
| 1128 | N | 78.9 | Confident | 78.2 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 114.2 | 169.7 | -76.8 | -48.3 | 0 | 0 | 0 | 108.1 | P1098 T1099 L1151 Y1153 D1186 H1187 | P1098-N1128 CarbonylContact C-O 3.59Å; T1099-N1128 WeakPolarHBondContact CB-O 3.28Å; T1099-N1128 PolarHBondContact N-O 2.89Å; T1099-N1128 VanDerWaalsContact OG1-C 3.24Å; T1099-N1128 PolarHBondContact OG1-O 3.04Å; N1128-L1151 HydrophobicContact CB-CD1 4.48Å; N1128-L1151 HydrophobicContact CB-CD2 3.93Å; N1128-L1151 HydrophobicContact CB-CG 4.15Å; N1128-L1151 WeakPolarHBondContact OD1-CD2 3.4Å; N1128-Y1153 WeakPolarHBondContact OD1-CD2 3.44Å; N1128-D1186 PolarHBondContact ND2-O 2.84Å; N1128-D1186 VanDerWaalsContact ND2-O 3.08Å; N1128-D1186 PolarHBondContact ND2-OD1 2.91Å; N1128-H1187 PolarHBondContact ND2-O 3.24Å |
| 1129 | Y | 80.1 | Confident | 77 | Confident | 13 Ų | 13 | 41.2 Ų | 41.2 | 5% | 0.051 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 124.5 | 169.7 | -80.4 | -89.6 | 0 | 0 | 0 | 109.6 | F1074 V1096 R1097 P1098 L1123 L1124 T1127 L1151 I1152 T1154 | F1074-Y1129 HydrophobicContact CE1-CG 4.5Å; V1096-Y1129 HydrophobicContact CG1-CD1 3.61Å; V1096-Y1129 HydrophobicContact CG1-CE1 4.28Å; V1096-Y1129 HydrophobicContact CG1-CG 4.37Å; R1097-Y1129 CarbonylContact O-C 3.58Å; R1097-Y1129 VanDerWaalsContact O-CA 3.28Å; R1097-Y1129 WeakPolarHBondContact O-CA 3.14Å; R1097-Y1129 VanDerWaalsContact O-CD1 3.3Å; R1097-Y1129 WeakPolarHBondContact O-CD1 3.34Å; P1098-Y1129 HydrophobicContact CB-CE1 4.49Å; P1098-Y1129 HydrophobicContact CG-CE1 3.82Å; L1123-Y1129 HydrophobicContact CB-CD2 4.49Å; L1123-Y1129 HydrophobicContact CB-CE2 3.73Å; L1123-Y1129 HydrophobicContact CD1-CD2 4.47Å; L1123-Y1129 HydrophobicContact CD1-CE2 4.46Å; L1123-Y1129 HydrophobicContact CD2-CD1 4.15Å; L1123-Y1129 HydrophobicContact CD2-CE1 3.67Å; L1123-Y1129 HydrophobicContact CD2-CE2 4.23Å; L1123-Y1129 HydrophobicContact CG-CE2 4.37Å; L1124-Y1129 WeakPolarHBondContact CB-OH 2.88Å; L1124-Y1129 PolarHBondContact N-OH 2.93Å; L1124-Y1129 WeakPolarHBondContact O-CE2 3.37Å; T1127-Y1129 HydrophobicContact CG2-CD2 4.12Å; T1127-Y1129 HydrophobicContact CG2-CE2 3.7Å; T1127-Y1129 WeakPolarHBondContact O-CD2 3.49Å; T1127-Y1129 PolarHBondContact O-N 2.93Å; T1127-Y1129 VanDerWaalsContact O-N 3.16Å; Y1129-L1151 WeakPolarHBondContact O-CA 3.47Å; Y1129-I1152 PolarHBondContact N-O 2.89Å; Y1129-I1152 PolarHBondContact O-N 2.86Å; Y1129-T1154 HydrophobicContact CD2-CG2 3.75Å; Y1129-T1154 HydrophobicContact CE2-CG2 3.92Å |
| 1130 | T | 84.1 | Confident | 75.7 | Confident | 21 Ų | 21 | 43.2 Ų | 43.2 | 13% | 0.129 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 121.9 | 167.6 | -67.3 | 0 | 0 | 0 | 0 | 107.9 | R1097 T1099 F1106 | R1097-T1130 PolarHBondContact N-O 2.88Å; R1097-T1130 PolarHBondContact O-N 3.14Å; T1099-T1130 WeakPolarHBondContact CG2-OG1 2.86Å; T1099-T1130 PolarHBondContact OG1-N 3.43Å; T1099-T1130 VanDerWaalsContact OG1-N 3.16Å; T1099-T1130 PolarHBondContact OG1-OG1 2.88Å; F1106-T1130 HydrophobicContact CE1-CG2 4.4Å; F1106-T1130 HydrophobicContact CZ-CG2 4.46Å |
| 1131 | V | 86.2 | Confident | 74.9 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 134.9 | -176.1 | -175 | 0 | 0 | 0 | 0 | 110.6 | F1074 I1076 L1094 Y1095 V1096 S1149 F1150 I1152 | F1074-V1131 HydrophobicContact CE1-CG2 4.07Å; F1074-V1131 HydrophobicContact CE2-CG1 4.32Å; F1074-V1131 HydrophobicContact CE2-CG2 4.19Å; F1074-V1131 HydrophobicContact CZ-CG1 4.3Å; F1074-V1131 HydrophobicContact CZ-CG2 3.53Å; I1076-V1131 HydrophobicContact CD1-CG1 3.76Å; L1094-V1131 HydrophobicContact CD1-CG1 3.44Å; L1094-V1131 VanDerWaalsContact CD1-CG1 3.44Å; L1094-V1131 HydrophobicContact CG-CG1 4.45Å; Y1095-V1131 VanDerWaalsContact O-CA 3.3Å; Y1095-V1131 WeakPolarHBondContact O-CA 3.35Å; V1096-V1131 HydrophobicContact CB-CG2 4.4Å; V1096-V1131 HydrophobicContact CG1-CG2 4.02Å; V1096-V1131 HydrophobicContact CG2-CG1 4.09Å; V1096-V1131 HydrophobicContact CG2-CG2 4.18Å; V1131-S1149 CarbonylContact O-C 3.57Å; V1131-S1149 WeakPolarHBondContact O-CA 3.43Å; V1131-F1150 PolarHBondContact N-O 3.01Å; V1131-F1150 PolarHBondContact O-N 3.35Å; V1131-I1152 HydrophobicContact CB-CD1 3.84Å; V1131-I1152 HydrophobicContact CG1-CD1 4.3Å; V1131-I1152 HydrophobicContact CG2-CD1 3.55Å; V1131-I1152 HydrophobicContact CG2-CG1 4.22Å |
| 1132 | Y | 86.6 | Confident | 74.1 | Confident | 35 Ų | 35 | 42.8 Ų | 42.8 | 14% | 0.137 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 159.5 | 170.4 | 65.3 | -95 | 0 | 0 | 0 | 110.8 | Y1095 F1106 K1134 A1146 | Y1095-Y1132 AromaticContact CD2-CD2 3.93Å; Y1095-Y1132 HydrophobicContact CD2-CD2 3.93Å; Y1095-Y1132 AromaticContact CD2-CE2 3.29Å; Y1095-Y1132 HydrophobicContact CD2-CE2 3.29Å; Y1095-Y1132 AromaticContact CD2-CZ 3.84Å; Y1095-Y1132 AromaticContact CE2-CE2 3.97Å; Y1095-Y1132 HydrophobicContact CE2-CE2 3.97Å; Y1095-Y1132 HydrophobicContact CG-CD2 4.39Å; Y1095-Y1132 HydrophobicContact CG-CE1 4.41Å; Y1095-Y1132 AromaticContact CG-CE2 3.63Å; Y1095-Y1132 HydrophobicContact CG-CE2 3.63Å; Y1095-Y1132 AromaticContact CG-CZ 3.66Å; Y1095-Y1132 PolarHBondContact N-O 2.8Å; Y1095-Y1132 PolarHBondContact O-N 2.99Å; Y1095-Y1132 VanDerWaalsContact O-N 3.17Å; F1106-Y1132 HydrophobicContact CD1-CE1 4.17Å; F1106-Y1132 HydrophobicContact CE1-CD1 4.1Å; F1106-Y1132 AromaticContact CE1-CE1 3.57Å; F1106-Y1132 HydrophobicContact CE1-CE1 3.57Å; F1106-Y1132 HydrophobicContact CE2-CE1 4.22Å; F1106-Y1132 HydrophobicContact CZ-CD1 4.38Å; F1106-Y1132 AromaticContact CZ-CE1 3.62Å; F1106-Y1132 HydrophobicContact CZ-CE1 3.62Å; Y1132-K1134 HydrophobicContact CD2-CG 4.14Å; Y1132-K1134 HydrophobicContact CE2-CD 3.9Å; Y1132-K1134 VanDerWaalsContact CE2-CE 3.45Å; Y1132-K1134 HydrophobicContact CE2-CG 4Å; Y1132-A1146 HydrophobicContact CD2-CB 3.47Å; Y1132-A1146 VanDerWaalsContact CD2-CB 3.47Å; Y1132-A1146 HydrophobicContact CE2-CB 4.01Å; Y1132-A1146 HydrophobicContact CG-CB 3.94Å |
| 1133 | L | 86.9 | Confident | 73.9 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 147.5 | 172.8 | -70.4 | 96.7 | 0 | 0 | 0 | 110.5 | P1061 V1064 I1076 W1078 C1092 S1093 L1094 A1146 T1147 | P1061-L1133 HydrophobicContact CG-CB 4.07Å; V1064-L1133 HydrophobicContact CG1-CD1 3.65Å; V1064-L1133 HydrophobicContact CG2-CD1 4.23Å; I1076-L1133 HydrophobicContact CD1-CD1 3.44Å; I1076-L1133 VanDerWaalsContact CD1-CD1 3.44Å; I1076-L1133 HydrophobicContact CG1-CD1 4.03Å; W1078-L1133 HydrophobicContact CD2-CD2 3.67Å; W1078-L1133 HydrophobicContact CE3-CD2 3.47Å; W1078-L1133 VanDerWaalsContact CE3-CD2 3.47Å; W1078-L1133 HydrophobicContact CG-CD2 4.39Å; W1078-L1133 HydrophobicContact CH2-CD2 3.96Å; W1078-L1133 HydrophobicContact CZ2-CD2 4.11Å; W1078-L1133 HydrophobicContact CZ3-CD2 3.65Å; C1092-L1133 HydrophobicContact CB-CD2 4.33Å; S1093-L1133 CarbonylContact O-C 3.44Å; S1093-L1133 WeakPolarHBondContact O-CA 3.47Å; L1094-L1133 HydrophobicContact CD1-CD1 3.89Å; L1094-L1133 HydrophobicContact CD1-CD2 4.48Å; L1094-L1133 HydrophobicContact CD1-CG 3.81Å; L1133-A1146 CarbonylContact O-C 3.58Å; L1133-A1146 WeakPolarHBondContact O-CA 3.32Å; L1133-T1147 HydrophobicContact CB-CG2 4.11Å; L1133-T1147 PolarHBondContact N-OG1 3.42Å; L1133-T1147 PolarHBondContact O-N 2.88Å; L1133-T1147 PolarHBondContact O-OG1 3.43Å |
| 1134 | K | 84.9 | Confident | 74 | Confident | 53 Ų | 53 | 39.8 Ų | 39.8 | 23% | 0.23 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 128.9 | 163 | -68.4 | 171.7 | 176.5 | 163.3 | 0 | 108.1 | C1092 S1093 Y1095 Y1132 Y1143 A1146 | C1092-K1134 CarbonylContact C-O 3.57Å; C1092-K1134 WeakPolarHBondContact CA-O 3.48Å; S1093-K1134 PolarHBondContact N-O 2.77Å; S1093-K1134 PolarHBondContact O-N 2.81Å; Y1095-K1134 HydrophobicContact CE2-CB 4.38Å; Y1095-K1134 HydrophobicContact CE2-CD 3.97Å; Y1095-K1134 HydrophobicContact CE2-CG 4.37Å; Y1132-K1134 HydrophobicContact CD2-CG 4.14Å; Y1132-K1134 HydrophobicContact CE2-CD 3.9Å; Y1132-K1134 VanDerWaalsContact CE2-CE 3.45Å; Y1132-K1134 HydrophobicContact CE2-CG 4Å; K1134-Y1143 HydrophobicContact CB-CD1 3.78Å; K1134-Y1143 HydrophobicContact CD-CD1 4.25Å; K1134-A1146 HydrophobicContact CG-CB 4.13Å |
| 1135 | S | 83.9 | Confident | 74.1 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 146.9 | 162.6 | 50.6 | 0 | 0 | 0 | 0 | 109.4 | I1059 I1081 C1091 Y1143 S1144 | I1059-S1135 PolarHBondContact O-OG 2.82Å; I1081-S1135 VanDerWaalsContact CD1-CB 3.49Å; C1091-S1135 CarbonylContact O-C 3.57Å; C1091-S1135 VanDerWaalsContact O-CA 3.25Å; C1091-S1135 WeakPolarHBondContact O-CA 3.17Å; S1135-Y1143 CarbonylContact O-C 3.46Å; S1135-Y1143 WeakPolarHBondContact O-CA 3.37Å; S1135-S1144 PolarHBondContact N-OG 3.16Å; S1135-S1144 WeakPolarHBondContact O-CB 3.46Å; S1135-S1144 PolarHBondContact O-N 2.68Å; S1135-S1144 PolarHBondContact O-OG 3.1Å; S1135-S1144 VanDerWaalsContact O-OG 3.12Å; S1135-S1144 WeakPolarHBondContact OG-CB 3.5Å; S1135-S1144 PolarHBondContact OG-OG 2.89Å |
| 1136 | F | 76 | Confident | 74.6 | Confident | 20 Ų | 20 | 39.2 Ų | 39.2 | 9% | 0.088 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 143.9 | 178.4 | 70.2 | -82.9 | 0 | 0 | 0 | 111.4 | I1090 C1091 T1138 I1142 Y1143 | I1090-F1136 CarbonylContact C-O 3.51Å; I1090-F1136 VanDerWaalsContact CA-O 3.31Å; I1090-F1136 WeakPolarHBondContact CA-O 3.08Å; C1091-F1136 HydrophobicContact CB-CD1 4.01Å; C1091-F1136 HydrophobicContact CB-CE1 3.4Å; C1091-F1136 HydrophobicContact CB-CE2 4.09Å; C1091-F1136 HydrophobicContact CB-CZ 3.45Å; C1091-F1136 VanDerWaalsContact CB-CZ 3.45Å; C1091-F1136 PolarHBondContact N-O 3.06Å; C1091-F1136 WeakPolarHBondContact O-CD1 3.3Å; C1091-F1136 PolarHBondContact O-N 3.27Å; F1136-T1138 HydrophobicContact CD2-CG2 4.42Å; F1136-T1138 HydrophobicContact CE2-CG2 3.93Å; F1136-I1142 VanDerWaalsContact CA-O 3.26Å; F1136-I1142 WeakPolarHBondContact CA-O 3.35Å; F1136-Y1143 HydrophobicContact CB-CD1 3.43Å; F1136-Y1143 VanDerWaalsContact CB-CD1 3.43Å; F1136-Y1143 HydrophobicContact CB-CD2 3.97Å; F1136-Y1143 HydrophobicContact CB-CE1 3.58Å; F1136-Y1143 HydrophobicContact CB-CE2 4.11Å; F1136-Y1143 HydrophobicContact CB-CG 3.62Å; F1136-Y1143 HydrophobicContact CD1-CD1 4.05Å; F1136-Y1143 AromaticContact CD1-CE1 3.49Å; F1136-Y1143 HydrophobicContact CD1-CE1 3.49Å; F1136-Y1143 VanDerWaalsContact CD1-CE1 3.49Å; F1136-Y1143 HydrophobicContact CD2-CE1 4.32Å; F1136-Y1143 HydrophobicContact CD2-CE2 4.5Å; F1136-Y1143 HydrophobicContact CE1-CE1 4.21Å; F1136-Y1143 AromaticContact CG-CD1 3.95Å; F1136-Y1143 HydrophobicContact CG-CD1 3.95Å; F1136-Y1143 AromaticContact CG-CE1 3.55Å; F1136-Y1143 HydrophobicContact CG-CE1 3.55Å; F1136-Y1143 HydrophobicContact CG-CE2 4.32Å; F1136-Y1143 HydrophobicContact CG-CG 4.48Å; F1136-Y1143 AromaticContact CG-CZ 3.75Å |
| 1137 | N | 72.3 | Confident | 75.3 | Confident | 5 Ų | 5 | 36.9 Ų | 36.9 | 3% | 0.027 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 122.6 | 174.9 | -174.4 | -55.7 | 0 | 0 | 0 | 109.5 | P1058 F1087 N1089 K1139 Y1140 G1141 I1142 | P1058-N1137 HydrophobicContact CG-CB 4.4Å; F1087-N1137 VanDerWaalsContact CD1-ND2 3.26Å; F1087-N1137 WeakPolarHBondContact CD1-ND2 3.36Å; N1089-N1137 CarbonylContact O-C 3.55Å; N1089-N1137 WeakPolarHBondContact O-CA 3.05Å; N1137-K1139 VanDerWaalsContact C-N 3.29Å; N1137-K1139 PolarHBondContact O-N 2.86Å; N1137-K1139 WeakPolarHBondContact OD1-CA 3.5Å; N1137-K1139 VanDerWaalsContact OD1-CB 3.26Å; N1137-K1139 WeakPolarHBondContact OD1-CB 3.47Å; N1137-K1139 PolarHBondContact OD1-N 2.58Å; N1137-Y1140 PolarHBondContact OD1-N 2.05Å; N1137-G1141 WeakPolarHBondContact O-CA 2.82Å; N1137-G1141 PolarHBondContact O-N 2.77Å; N1137-I1142 PolarHBondContact N-O 2.74Å |
| 1138 | T | 69.2 | Low | 75.6 | Confident | 66 Ų | 66 | 44 Ų | 44 | 41% | 0.405 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -19.1 | -177.5 | 68.3 | 0 | 0 | 0 | 0 | 113.6 | N1089 C1091 F1136 | N1089-T1138 WeakPolarHBondContact CB-OG1 3.29Å; N1089-T1138 PolarHBondContact O-N 2.91Å; N1089-T1138 PolarHBondContact O-OG1 2.87Å; C1091-T1138 HydrophobicContact CB-CG2 4.22Å; C1091-T1138 WeakPolarHBondContact SG-CG2 3.28Å; F1136-T1138 HydrophobicContact CD2-CG2 4.42Å; F1136-T1138 HydrophobicContact CE2-CG2 3.93Å |
| 1139 | K | 60.8 | Low | 75.4 | Confident | 145 Ų | 145 | 47.6 Ų | 47.6 | 63% | 0.63 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -39.4 | 176.2 | -174.7 | 178.7 | -179.8 | -176.8 | 0 | 112.4 | N1137 | N1137-K1139 VanDerWaalsContact C-N 3.29Å; N1137-K1139 PolarHBondContact O-N 2.86Å; N1137-K1139 WeakPolarHBondContact OD1-CA 3.5Å; N1137-K1139 VanDerWaalsContact OD1-CB 3.26Å; N1137-K1139 WeakPolarHBondContact OD1-CB 3.47Å; N1137-K1139 PolarHBondContact OD1-N 2.58Å |
| 1140 | Y | 61 | Low | 75.1 | Confident | 109 Ų | 109 | 49.5 Ų | 49.5 | 43% | 0.427 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | -11.2 | -175.7 | -57.6 | -69.9 | 0 | 0 | 0 | 113.7 | Y1054 N1137 I1142 | Y1054-Y1140 HydrophobicContact CE1-CD1 4.23Å; N1137-Y1140 PolarHBondContact OD1-N 2.05Å; Y1140-I1142 WeakPolarHBondContact O-CG1 3.4Å; Y1140-I1142 PolarHBondContact O-N 3.1Å |
| 1141 | G | 63.8 | Low | 74.8 | Confident | 47 Ų | 47 | 51.3 Ų | 51.3 | 49% | 0.485 | 26% | 0.264 | S | S | . | . | trans | 70.4 | 15.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | N1137 Y1143 | N1137-G1141 WeakPolarHBondContact O-CA 2.82Å; N1137-G1141 PolarHBondContact O-N 2.77Å; G1141-Y1143 WeakPolarHBondContact O-CD2 3.31Å | ||
| 1142 | I | 65.3 | Low | 74.3 | Confident | 30 Ų | 30 | 51.4 Ų | 51.4 | 15% | 0.154 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -96 | 119.5 | -171.4 | -59.8 | 173.3 | 0 | 0 | 0 | 110.2 | Y1054 R1057 F1136 N1137 Y1140 | Y1054-I1142 VanDerWaalsContact CB-CD1 3.49Å; Y1054-I1142 HydrophobicContact CD1-CD1 3.12Å; Y1054-I1142 HydrophobicContact CD2-CD1 3.62Å; Y1054-I1142 HydrophobicContact CE1-CD1 3.59Å; Y1054-I1142 HydrophobicContact CE2-CD1 4.03Å; Y1054-I1142 HydrophobicContact CG-CD1 3.11Å; R1057-I1142 HydrophobicContact CG-CG2 4.44Å; F1136-I1142 VanDerWaalsContact CA-O 3.26Å; F1136-I1142 WeakPolarHBondContact CA-O 3.35Å; N1137-I1142 PolarHBondContact N-O 2.74Å; Y1140-I1142 WeakPolarHBondContact O-CG1 3.4Å; Y1140-I1142 PolarHBondContact O-N 3.1Å |
| 1143 | Y | 73.6 | Confident | 73.7 | Confident | 64 Ų | 64 | 53.6 Ų | 53.6 | 25% | 0.251 | 27% | 0.273 | S | S | . | . | B | Isolated β-bridge | trans | -88.7 | 142.9 | 177.6 | -70.2 | -102 | 0 | 0 | 0 | 111.7 | R1057 K1134 S1135 F1136 G1141 | R1057-Y1143 WeakPolarHBondContact CD-O 3.42Å; R1057-Y1143 WeakPolarHBondContact CG-O 3.3Å; R1057-Y1143 PolarHBondContact NH1-O 3.44Å; R1057-Y1143 VanDerWaalsContact NH1-O 3.11Å; K1134-Y1143 HydrophobicContact CB-CD1 3.78Å; K1134-Y1143 HydrophobicContact CD-CD1 4.25Å; S1135-Y1143 CarbonylContact O-C 3.46Å; S1135-Y1143 WeakPolarHBondContact O-CA 3.37Å; F1136-Y1143 HydrophobicContact CB-CD1 3.43Å; F1136-Y1143 VanDerWaalsContact CB-CD1 3.43Å; F1136-Y1143 HydrophobicContact CB-CD2 3.97Å; F1136-Y1143 HydrophobicContact CB-CE1 3.58Å; F1136-Y1143 HydrophobicContact CB-CE2 4.11Å; F1136-Y1143 HydrophobicContact CB-CG 3.62Å; F1136-Y1143 HydrophobicContact CD1-CD1 4.05Å; F1136-Y1143 AromaticContact CD1-CE1 3.49Å; F1136-Y1143 HydrophobicContact CD1-CE1 3.49Å; F1136-Y1143 VanDerWaalsContact CD1-CE1 3.49Å; F1136-Y1143 HydrophobicContact CD2-CE1 4.32Å; F1136-Y1143 HydrophobicContact CD2-CE2 4.5Å; F1136-Y1143 HydrophobicContact CE1-CE1 4.21Å; F1136-Y1143 AromaticContact CG-CD1 3.95Å; F1136-Y1143 HydrophobicContact CG-CD1 3.95Å; F1136-Y1143 AromaticContact CG-CE1 3.55Å; F1136-Y1143 HydrophobicContact CG-CE1 3.55Å; F1136-Y1143 HydrophobicContact CG-CE2 4.32Å; F1136-Y1143 HydrophobicContact CG-CG 4.48Å; F1136-Y1143 AromaticContact CG-CZ 3.75Å; G1141-Y1143 WeakPolarHBondContact O-CD2 3.31Å |
| 1144 | S | 77.8 | Confident | 72.7 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 168.4 | 171.9 | 63.9 | 0 | 0 | 0 | 0 | 112.8 | P1058 S1135 A1146 | P1058-S1144 WeakPolarHBondContact O-CB 3.42Å; S1135-S1144 PolarHBondContact N-OG 3.16Å; S1135-S1144 WeakPolarHBondContact O-CB 3.46Å; S1135-S1144 PolarHBondContact O-N 2.68Å; S1135-S1144 PolarHBondContact O-OG 3.1Å; S1135-S1144 VanDerWaalsContact O-OG 3.12Å; S1135-S1144 WeakPolarHBondContact OG-CB 3.5Å; S1135-S1144 PolarHBondContact OG-OG 2.89Å; S1144-A1146 PolarHBondContact O-N 2.89Å |
| 1145 | N | 69.1 | Low | 71.2 | Confident | 102 Ų | 102 | 53.9 Ų | 53.9 | 55% | 0.545 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 138.4 | 162.9 | -71.2 | -20.4 | 0 | 0 | 0 | 108.3 | R1057 K1060 T1147 | R1057-N1145 WeakPolarHBondContact CD-OD1 3.32Å; K1060-N1145 WeakPolarHBondContact CB-O 3.28Å; N1145-T1147 PolarHBondContact O-N 2.84Å |
| 1146 | A | 73.7 | Confident | 69.4 | Low | 38 Ų | 38 | 59.9 Ų | 59.9 | 31% | 0.314 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -53.2 | 142.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | Y1132 L1133 K1134 S1144 | Y1132-A1146 HydrophobicContact CD2-CB 3.47Å; Y1132-A1146 VanDerWaalsContact CD2-CB 3.47Å; Y1132-A1146 HydrophobicContact CE2-CB 4.01Å; Y1132-A1146 HydrophobicContact CG-CB 3.94Å; L1133-A1146 CarbonylContact O-C 3.58Å; L1133-A1146 WeakPolarHBondContact O-CA 3.32Å; K1134-A1146 HydrophobicContact CG-CB 4.13Å; S1144-A1146 PolarHBondContact O-N 2.89Å |
| 1147 | T | 79.9 | Confident | 67.9 | Low | 7 Ų | 7 | 61.2 Ų | 61.2 | 4% | 0.043 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -56.5 | 159 | 161.7 | 59.1 | 0 | 0 | 0 | 0 | 109 | K1060 P1061 V1064 L1133 N1145 S1149 | K1060-T1147 HydrophobicContact CB-CG2 4.16Å; K1060-T1147 HydrophobicContact CG-CG2 4.43Å; P1061-T1147 HydrophobicContact CB-CG2 4.04Å; P1061-T1147 HydrophobicContact CG-CG2 4.22Å; P1061-T1147 WeakPolarHBondContact O-CG2 3.42Å; V1064-T1147 HydrophobicContact CG2-CG2 3.86Å; L1133-T1147 HydrophobicContact CB-CG2 4.11Å; L1133-T1147 PolarHBondContact N-OG1 3.42Å; L1133-T1147 PolarHBondContact O-N 2.88Å; L1133-T1147 PolarHBondContact O-OG1 3.43Å; N1145-T1147 PolarHBondContact O-N 2.84Å; T1147-S1149 PolarHBondContact O-N 2.91Å; T1147-S1149 VanDerWaalsContact O-N 3.09Å |
| 1148 | K | 72.7 | Confident | 66.6 | Low | 169 Ų | 169 | 67.2 Ų | 67.2 | 74% | 0.735 | 35% | 0.353 | S | S | * | . | P | Polyproline II helix | trans | -51.5 | 126.9 | 174 | -174.5 | 178.5 | 179.6 | -177.3 | 0 | 106.9 | F1150 | K1148-F1150 WeakPolarHBondContact O-CD2 3.3Å; K1148-F1150 WeakPolarHBondContact O-CE2 3.44Å; K1148-F1150 PolarHBondContact O-N 3.26Å; K1148-F1150 VanDerWaalsContact O-N 3.08Å |
| 1149 | S | 75.1 | Confident | 65.4 | Low | 75 Ų | 75 | 68.6 Ų | 68.6 | 52% | 0.524 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 119.3 | 176.6 | 38.7 | 0 | 0 | 0 | 0 | 108.5 | V1131 T1147 | V1131-S1149 CarbonylContact O-C 3.57Å; V1131-S1149 WeakPolarHBondContact O-CA 3.43Å; T1147-S1149 PolarHBondContact O-N 2.91Å; T1147-S1149 VanDerWaalsContact O-N 3.09Å |
| 1150 | F | 75 | Confident | 65.2 | Low | 54 Ų | 54 | 62.9 Ų | 62.9 | 24% | 0.237 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 125.8 | 173.1 | -61.5 | -83.2 | 0 | 0 | 0 | 106.8 | V1064 V1066 V1131 K1148 I1152 | V1064-F1150 HydrophobicContact CB-CD2 4.46Å; V1064-F1150 HydrophobicContact CB-CE1 4.4Å; V1064-F1150 HydrophobicContact CB-CE2 3.49Å; V1064-F1150 VanDerWaalsContact CB-CE2 3.49Å; V1064-F1150 HydrophobicContact CB-CZ 3.48Å; V1064-F1150 VanDerWaalsContact CB-CZ 3.48Å; V1064-F1150 HydrophobicContact CG1-CD2 3.93Å; V1064-F1150 HydrophobicContact CG1-CE2 3.42Å; V1064-F1150 VanDerWaalsContact CG1-CE2 3.42Å; V1064-F1150 HydrophobicContact CG1-CZ 3.83Å; V1064-F1150 HydrophobicContact CG2-CE2 4.15Å; V1064-F1150 HydrophobicContact CG2-CZ 4.36Å; V1066-F1150 HydrophobicContact CG2-CB 4.34Å; V1131-F1150 PolarHBondContact N-O 3.01Å; V1131-F1150 PolarHBondContact O-N 3.35Å; K1148-F1150 WeakPolarHBondContact O-CD2 3.3Å; K1148-F1150 WeakPolarHBondContact O-CE2 3.44Å; K1148-F1150 PolarHBondContact O-N 3.26Å; K1148-F1150 VanDerWaalsContact O-N 3.08Å; F1150-I1152 HydrophobicContact CB-CG1 4.33Å |
| 1151 | L | 77.8 | Confident | 65 | Low | 58 Ų | 58 | 62.6 Ų | 62.6 | 30% | 0.304 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 120.4 | 166.9 | -147 | 95.2 | 0 | 0 | 0 | 107.3 | T1099 N1128 Y1129 L1188 | T1099-L1151 HydrophobicContact CG2-CD1 4.06Å; N1128-L1151 HydrophobicContact CB-CD1 4.48Å; N1128-L1151 HydrophobicContact CB-CD2 3.93Å; N1128-L1151 HydrophobicContact CB-CG 4.15Å; N1128-L1151 WeakPolarHBondContact OD1-CD2 3.4Å; Y1129-L1151 WeakPolarHBondContact O-CA 3.47Å; L1151-L1188 HydrophobicContact CD1-CD1 3.59Å; L1151-L1188 HydrophobicContact CD2-CB 3.49Å; L1151-L1188 VanDerWaalsContact CD2-CB 3.49Å; L1151-L1188 HydrophobicContact CD2-CD1 3.34Å; L1151-L1188 HydrophobicContact CD2-CG 3.98Å; L1151-L1188 HydrophobicContact CG-CD1 3.99Å |
| 1152 | I | 74.6 | Confident | 65.1 | Low | 3 Ų | 3 | 61.8 Ų | 61.8 | 2% | 0.015 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 107.1 | 179.8 | -53.3 | 174.3 | 0 | 0 | 0 | 106.3 | V1066 I1069 F1074 Y1129 V1131 F1150 T1154 | V1066-I1152 HydrophobicContact CB-CD1 4.15Å; V1066-I1152 HydrophobicContact CB-CG1 4.35Å; V1066-I1152 HydrophobicContact CG1-CD1 3.56Å; V1066-I1152 HydrophobicContact CG1-CG1 3.87Å; V1066-I1152 HydrophobicContact CG1-CG2 3.9Å; V1066-I1152 HydrophobicContact CG2-CD1 3.5Å; V1066-I1152 VanDerWaalsContact CG2-CD1 3.5Å; V1066-I1152 HydrophobicContact CG2-CG1 3.86Å; I1069-I1152 HydrophobicContact CD1-CG2 3.92Å; I1069-I1152 HydrophobicContact CG1-CG2 4.01Å; I1069-I1152 HydrophobicContact CG2-CG2 4.2Å; F1074-I1152 HydrophobicContact CB-CG2 3.96Å; F1074-I1152 HydrophobicContact CD1-CB 4.35Å; F1074-I1152 HydrophobicContact CD1-CD1 4.01Å; F1074-I1152 HydrophobicContact CD1-CG2 3.78Å; F1074-I1152 HydrophobicContact CD2-CD1 3.48Å; F1074-I1152 VanDerWaalsContact CD2-CD1 3.48Å; F1074-I1152 HydrophobicContact CE1-CD1 3.97Å; F1074-I1152 HydrophobicContact CE2-CD1 3.45Å; F1074-I1152 VanDerWaalsContact CE2-CD1 3.45Å; F1074-I1152 HydrophobicContact CG-CD1 3.81Å; F1074-I1152 HydrophobicContact CG-CG2 3.85Å; F1074-I1152 HydrophobicContact CZ-CD1 3.74Å; Y1129-I1152 PolarHBondContact N-O 2.89Å; Y1129-I1152 PolarHBondContact O-N 2.86Å; V1131-I1152 HydrophobicContact CB-CD1 3.84Å; V1131-I1152 HydrophobicContact CG1-CD1 4.3Å; V1131-I1152 HydrophobicContact CG2-CD1 3.55Å; V1131-I1152 HydrophobicContact CG2-CG1 4.22Å; F1150-I1152 HydrophobicContact CB-CG1 4.33Å; I1152-T1154 PolarHBondContact O-N 3.09Å |
| 1153 | Y | 73.7 | Confident | 65.5 | Low | 80 Ų | 80 | 60.5 Ų | 60.5 | 31% | 0.314 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 111.4 | 176.1 | -174.2 | -118.3 | 0 | 0 | 0 | 109.5 | I1069 R1126 N1128 T1155 Y1156 | I1069-Y1153 WeakPolarHBondContact CG2-O 3.34Å; R1126-Y1153 HydrophobicContact CG-CE2 3.99Å; R1126-Y1153 WeakPolarHBondContact CG-OH 3.47Å; N1128-Y1153 WeakPolarHBondContact OD1-CD2 3.44Å; Y1153-T1155 PolarHBondContact O-N 2.99Å; Y1153-Y1156 HydrophobicContact CE1-CE2 4.46Å |
| 1154 | T | 67.2 | Low | 65.5 | Low | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 32% | 0.324 | C | S | . | . | trans | -65.8 | 129.3 | 171.3 | 52.4 | 0 | 0 | 0 | 0 | 108.9 | P1071 L1123 L1124 R1126 T1127 Y1129 I1152 | P1071-T1154 WeakPolarHBondContact O-CB 3.36Å; L1123-T1154 HydrophobicContact CB-CG2 4.12Å; L1123-T1154 HydrophobicContact CD1-CG2 4.13Å; L1124-T1154 WeakPolarHBondContact O-CB 3.38Å; L1124-T1154 PolarHBondContact O-OG1 3.08Å; R1126-T1154 WeakPolarHBondContact CA-O 3.49Å; R1126-T1154 PolarHBondContact N-O 2.92Å; R1126-T1154 PolarHBondContact N-OG1 3.45Å; T1127-T1154 PolarHBondContact N-OG1 2.92Å; T1127-T1154 PolarHBondContact O-N 2.97Å; T1127-T1154 PolarHBondContact O-OG1 3.09Å; T1127-T1154 VanDerWaalsContact O-OG1 3.12Å; Y1129-T1154 HydrophobicContact CD2-CG2 3.75Å; Y1129-T1154 HydrophobicContact CE2-CG2 3.92Å; I1152-T1154 PolarHBondContact O-N 3.09Å | ||
| 1155 | T | 52.1 | Low | 65.6 | Low | 60 Ų | 60 | 65.1 Ų | 65.1 | 37% | 0.368 | 35% | 0.353 | S | S | . | . | trans | -62.6 | 157.1 | -171.8 | 55.6 | 0 | 0 | 0 | 0 | 112.2 | I1069 K1070 P1071 Y1153 | I1069-T1155 HydrophobicContact CG2-CG2 4.3Å; K1070-T1155 VanDerWaalsContact C-OG1 3.27Å; P1071-T1155 WeakPolarHBondContact CA-O 3.42Å; P1071-T1155 WeakPolarHBondContact CB-O 3.33Å; P1071-T1155 WeakPolarHBondContact CD-OG1 3.42Å; P1071-T1155 WeakPolarHBondContact CG-OG1 3.25Å; P1071-T1155 VanDerWaalsContact N-OG1 3.13Å; Y1153-T1155 PolarHBondContact O-N 2.99Å | ||
| 1156 | Y | 46 | Very low | 66.3 | Low | 126 Ų | 126 | 61.6 Ų | 61.6 | 49% | 0.494 | 33% | 0.334 | S | S | . | . | trans | -45.1 | 132.3 | -177.6 | -81.2 | -93.1 | 0 | 0 | 0 | 114.5 | Y1153 | Y1153-Y1156 HydrophobicContact CE1-CE2 4.46Š| ||
| 1157 | P | 46.3 | Very low | 66.8 | Low | 47 Ų | 47 | 63.5 Ų | 63.5 | 31% | 0.305 | 34% | 0.342 | S | S | . | . | trans | -79.7 | 147.3 | 137.5 | 38.3 | -26.8 | 0 | 0 | 0 | 107.8 | P1125 C1159 | P1125-P1157 HydrophobicContact CB-CB 3.95Å; P1125-P1157 HydrophobicContact CB-CG 3.59Å; P1125-P1157 HydrophobicContact CG-CB 4.02Å; P1125-P1157 HydrophobicContact CG-CG 3.69Å; P1157-C1159 PolarHBondContact O-N 2.84Å | ||
| 1158 | P | 43.8 | Very low | 67 | Low | 132 Ų | 132 | 65 Ų | 65 | 86% | 0.857 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -73.8 | 99.6 | -175.2 | 28.5 | -31.1 | 0 | 0 | 0 | 111.5 | ||
| 1159 | C | 44.9 | Very low | 67.2 | Low | 95 Ų | 95 | 59 Ų | 59 | 64% | 0.642 | 33% | 0.329 | S | S | * | . | trans | 159.9 | 150.1 | 145.2 | -159.2 | 0 | 0 | 0 | 0 | 114.3 | P1157 | P1157-C1159 PolarHBondContact O-N 2.84Š| ||
| 1160 | I | 55.1 | Low | 67.2 | Low | 24 Ų | 24 | 60.9 Ų | 60.9 | 12% | 0.123 | 33% | 0.329 | C | S | . | . | trans | -107.2 | 143.2 | -169.2 | -63.8 | 174.3 | 0 | 0 | 0 | 113.9 | D1242 H1246 | I1160-D1242 HydrophobicContact CD1-CB 3.62Å; I1160-D1242 WeakPolarHBondContact CD1-OD2 3.44Å; I1160-H1246 HydrophobicContact CD1-CB 4.34Å | ||
| 1161 | Q | 56.9 | Low | 67.2 | Low | 103 Ų | 103 | 60.9 Ų | 60.9 | 48% | 0.481 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -77.9 | 152.2 | -179.6 | -74.9 | -171.6 | -16.8 | 0 | 0 | 114.9 | A1183 | Q1161-A1183 WeakPolarHBondContact O-CB 3.02Š|
| 1162 | P | 66.1 | Low | 66.8 | Low | 30 Ų | 30 | 59 Ų | 59 | 20% | 0.195 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -72 | 154.4 | 179 | 28.2 | -33.1 | 0 | 0 | 0 | 113.9 | A1183 I1249 | P1162-A1183 WeakPolarHBondContact O-CB 3.23Å; P1162-I1249 HydrophobicContact CB-CG1 4Å; P1162-I1249 WeakPolarHBondContact CB-O 3.33Å; P1162-I1249 HydrophobicContact CG-CD1 3.94Å; P1162-I1249 HydrophobicContact CG-CG1 3.74Å |
| 1163 | P | 74.8 | Confident | 66.6 | Low | 3 Ų | 3 | 59.5 Ų | 59.5 | 2% | 0.019 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -54.7 | 147.2 | 169.5 | -23.4 | 33.8 | 0 | 0 | 0 | 113.2 | W1180 Y1197 V1238 C1240 S1251 | P1163-W1180 HydrophobicContact CB-CB 4.41Å; P1163-W1180 HydrophobicContact CB-CG 4.33Å; P1163-Y1197 HydrophobicContact CG-CD1 4.16Å; P1163-Y1197 HydrophobicContact CG-CE1 4.08Å; P1163-V1238 HydrophobicContact CB-CB 4.31Å; P1163-V1238 HydrophobicContact CB-CG1 4.34Å; P1163-V1238 HydrophobicContact CG-CB 4.19Å; P1163-V1238 HydrophobicContact CG-CG1 3.95Å; P1163-C1240 HydrophobicContact CG-CB 4.39Å; P1163-S1251 WeakPolarHBondContact O-CB 3.29Å |
| 1164 | V | 74.1 | Confident | 66.8 | Low | 49 Ų | 49 | 58.7 Ų | 58.7 | 30% | 0.297 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 166.6 | -172.2 | -64.4 | 0 | 0 | 0 | 0 | 112.1 | L1166 D1181 | V1164-L1166 PolarHBondContact O-N 3.27Å; V1164-D1181 HydrophobicContact CG2-CB 4.28Å; V1164-D1181 PolarHBondContact N-O 2.91Å; V1164-D1181 PolarHBondContact O-N 2.82Å |
| 1165 | N | 78.8 | Confident | 67.4 | Low | 112 Ų | 112 | 58.8 Ų | 58.8 | 60% | 0.599 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 53 | 50.5 | -178.9 | -67.5 | -16 | 0 | 0 | 0 | 114.2 | T1167 D1181 | N1165-T1167 PolarHBondContact O-N 3.15Å; N1165-T1167 VanDerWaalsContact O-N 3.12Å; N1165-D1181 HydrophobicContact CB-CB 4.23Å; N1165-D1181 VanDerWaalsContact CB-OD2 3.25Å; N1165-D1181 WeakPolarHBondContact CB-OD2 3.27Å; N1165-D1181 PolarHBondContact ND2-OD2 2.81Å |
| 1166 | L | 83.5 | Confident | 69 | Low | 28 Ų | 28 | 56 Ų | 56 | 15% | 0.147 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 119.2 | 172.5 | -78.7 | 75.9 | 0 | 0 | 0 | 109.2 | V1164 H1179 W1180 V1238 S1251 I1254 | V1164-L1166 PolarHBondContact O-N 3.27Å; L1166-H1179 CarbonylContact C-O 3.57Å; L1166-H1179 VanDerWaalsContact CA-O 3.31Å; L1166-H1179 WeakPolarHBondContact CA-O 3.38Å; L1166-W1180 HydrophobicContact CD1-CB 4.39Å; L1166-W1180 HydrophobicContact CG-CB 4.29Å; L1166-V1238 HydrophobicContact CD2-CG2 3.9Å; L1166-V1238 HydrophobicContact CG-CG2 4.42Å; L1166-S1251 VanDerWaalsContact CD2-OG 3.31Å; L1166-S1251 WeakPolarHBondContact CD2-OG 3.48Å; L1166-I1254 HydrophobicContact CB-CG2 4.2Å; L1166-I1254 HydrophobicContact CD2-CG2 4.09Å; L1166-I1254 WeakPolarHBondContact O-CD1 3.33Å |
| 1167 | T | 84.8 | Confident | 70.9 | Confident | 79 Ų | 79 | 50.3 Ų | 50.3 | 49% | 0.485 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 155.9 | 173.3 | 56.4 | 0 | 0 | 0 | 0 | 109.5 | N1165 H1179 | N1165-T1167 PolarHBondContact O-N 3.15Å; N1165-T1167 VanDerWaalsContact O-N 3.12Å; T1167-H1179 PolarHBondContact N-O 2.81Å; T1167-H1179 PolarHBondContact O-N 3.16Å |
| 1168 | I | 84.3 | Confident | 72.8 | Confident | 39 Ų | 39 | 48 Ų | 48 | 20% | 0.2 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 134.1 | -178 | -67.2 | -176.4 | 0 | 0 | 0 | 108.9 | I1171 F1176 T1177 V1178 I1254 V1256 | I1168-I1171 HydrophobicContact CG2-CD1 3.83Å; I1168-I1171 HydrophobicContact CG2-CG1 3.58Å; I1168-F1176 HydrophobicContact CD1-CD2 4.13Å; I1168-F1176 HydrophobicContact CD1-CE2 4.17Å; I1168-F1176 HydrophobicContact CG1-CD2 4.49Å; I1168-F1176 HydrophobicContact CG2-CB 3.83Å; I1168-F1176 HydrophobicContact CG2-CD2 3.94Å; I1168-F1176 HydrophobicContact CG2-CG 4.09Å; I1168-T1177 WeakPolarHBondContact CA-O 3.47Å; I1168-V1178 HydrophobicContact CG1-CB 4.46Å; I1168-V1178 HydrophobicContact CG1-CG2 4.48Å; I1168-I1254 HydrophobicContact CD1-CD1 4.32Å; I1168-I1254 HydrophobicContact CD1-CG1 4.29Å; I1168-I1254 HydrophobicContact CD1-CG2 3.86Å; I1168-I1254 HydrophobicContact CG1-CD1 4.26Å; I1168-I1254 HydrophobicContact CG1-CG2 4.4Å; I1168-V1256 HydrophobicContact CD1-CB 3.49Å; I1168-V1256 VanDerWaalsContact CD1-CB 3.49Å; I1168-V1256 HydrophobicContact CD1-CG1 3.67Å; I1168-V1256 HydrophobicContact CD1-CG2 4.05Å; I1168-V1256 HydrophobicContact CG2-CG2 4.03Å |
| 1169 | S | 77.5 | Confident | 74.8 | Confident | 43 Ų | 43 | 44.4 Ų | 44.4 | 30% | 0.301 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 175.1 | 174.9 | 88.7 | 0 | 0 | 0 | 0 | 110.1 | I1171 T1177 H1179 | S1169-I1171 PolarHBondContact O-N 2.78Å; S1169-I1171 VanDerWaalsContact O-N 3.11Å; S1169-T1177 PolarHBondContact N-O 2.7Å; S1169-T1177 PolarHBondContact O-N 3.19Å; S1169-H1179 PolarHBondContact OG-CD2 2.85Å; S1169-H1179 PolarHBondContact OG-NE2 2.89Å |
| 1170 | E | 73.2 | Confident | 76.8 | Confident | 114 Ų | 114 | 40 Ų | 40 | 53% | 0.533 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 53.8 | 34.4 | 176.7 | -59.3 | 177.3 | 172.4 | 0 | 0 | 114.4 | N1172 T1177 R1224 | E1170-N1172 PolarHBondContact O-N 3.27Å; E1170-T1177 PolarHBondContact OE2-OG1 2.77Å; E1170-R1224 IonicContact OE2-NE 3.56Å |
| 1171 | I | 76 | Confident | 77.7 | Confident | 54 Ų | 54 | 43 Ų | 43 | 28% | 0.277 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 127.6 | 177.1 | -53.2 | 171.3 | 0 | 0 | 0 | 108.7 | I1168 S1169 F1176 V1256 Y1259 | I1168-I1171 HydrophobicContact CG2-CD1 3.83Å; I1168-I1171 HydrophobicContact CG2-CG1 3.58Å; S1169-I1171 PolarHBondContact O-N 2.78Å; S1169-I1171 VanDerWaalsContact O-N 3.11Å; I1171-F1176 HydrophobicContact CB-CB 4.31Å; I1171-F1176 HydrophobicContact CG1-CB 3.91Å; I1171-V1256 HydrophobicContact CD1-CG2 4.05Å; I1171-V1256 HydrophobicContact CG1-CG2 4.27Å; I1171-Y1259 HydrophobicContact CB-CE2 4.19Å; I1171-Y1259 HydrophobicContact CG2-CD2 4.25Å; I1171-Y1259 HydrophobicContact CG2-CE2 4.08Å; I1171-Y1259 WeakPolarHBondContact O-CE2 3.39Å |
| 1172 | N | 68.6 | Low | 78.1 | Confident | 17 Ų | 17 | 39.4 Ų | 39.4 | 9% | 0.091 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | -172.2 | 172.9 | 71 | 34.5 | 0 | 0 | 0 | 110.6 | E1170 Y1174 G1175 Y1259 Y1432 | E1170-N1172 PolarHBondContact O-N 3.27Å; N1172-Y1174 VanDerWaalsContact C-N 3.26Å; N1172-Y1174 PolarHBondContact O-N 2.86Å; N1172-Y1174 PolarHBondContact OD1-N 2.91Å; N1172-G1175 PolarHBondContact N-O 2.88Å; N1172-G1175 PolarHBondContact OD1-N 3.12Å; N1172-G1175 PolarHBondContact OD1-O 2.97Å; N1172-Y1259 PolarHBondContact O-N 2.9Å; N1172-Y1432 PolarHBondContact ND2-OH 2.83Å |
| 1173 | I | 70.9 | Confident | 77.6 | Confident | 14 Ų | 14 | 39 Ų | 39 | 7% | 0.072 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -22.4 | -177.1 | 55.7 | 169.2 | 0 | 0 | 0 | 114.5 | P1230 | I1173-P1230 WeakPolarHBondContact O-CA 3.38Š|
| 1174 | Y | 77.2 | Confident | 76.4 | Confident | 64 Ų | 64 | 43.6 Ų | 43.6 | 25% | 0.251 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -124.7 | 9 | -175.5 | -61 | -54.4 | 0 | 0 | 0 | 113.2 | N1172 F1226 S1227 L1228 P1230 E1261 K1336 | N1172-Y1174 VanDerWaalsContact C-N 3.26Å; N1172-Y1174 PolarHBondContact O-N 2.86Å; N1172-Y1174 PolarHBondContact OD1-N 2.91Å; Y1174-F1226 CarbonylContact O-C 3.4Å; Y1174-F1226 VanDerWaalsContact O-C 3.27Å; Y1174-F1226 WeakPolarHBondContact O-CA 3.38Å; Y1174-S1227 PolarHBondContact O-N 2.85Å; Y1174-L1228 PolarHBondContact O-N 2.85Å; Y1174-P1230 HydrophobicContact CD1-CG 3.91Å; Y1174-P1230 HydrophobicContact CE1-CG 3.53Å; Y1174-E1261 PolarHBondContact OH-OE1 3Å; Y1174-K1336 PolarHBondContact OH-NZ 3.04Å |
| 1175 | G | 80.9 | Confident | 75 | Confident | 2 Ų | 2 | 46.3 Ų | 46.3 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.2 | 173.4 | -167.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | N1172 I1225 | N1172-G1175 PolarHBondContact N-O 2.88Å; N1172-G1175 PolarHBondContact OD1-N 3.12Å; N1172-G1175 PolarHBondContact OD1-O 2.97Å; G1175-I1225 CarbonylContact C-O 3.59Å; G1175-I1225 WeakPolarHBondContact CA-O 3.48Å |
| 1176 | F | 86.1 | Confident | 72.9 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 0% | 0.004 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 159 | 173.8 | 53.4 | -95.7 | 0 | 0 | 0 | 108.4 | I1168 I1171 I1225 L1228 V1236 V1256 T1258 | I1168-F1176 HydrophobicContact CD1-CD2 4.13Å; I1168-F1176 HydrophobicContact CD1-CE2 4.17Å; I1168-F1176 HydrophobicContact CG1-CD2 4.49Å; I1168-F1176 HydrophobicContact CG2-CB 3.83Å; I1168-F1176 HydrophobicContact CG2-CD2 3.94Å; I1168-F1176 HydrophobicContact CG2-CG 4.09Å; I1171-F1176 HydrophobicContact CB-CB 4.31Å; I1171-F1176 HydrophobicContact CG1-CB 3.91Å; F1176-I1225 HydrophobicContact CD2-CD1 3.88Å; F1176-I1225 HydrophobicContact CE2-CD1 3.25Å; F1176-I1225 HydrophobicContact CZ-CD1 3.77Å; F1176-I1225 PolarHBondContact N-O 2.87Å; F1176-I1225 PolarHBondContact O-N 2.79Å; F1176-L1228 HydrophobicContact CD1-CD1 3.77Å; F1176-L1228 HydrophobicContact CE1-CD1 3.19Å; F1176-L1228 HydrophobicContact CZ-CD1 3.92Å; F1176-V1236 HydrophobicContact CE2-CG2 3.7Å; F1176-V1236 HydrophobicContact CZ-CG2 3.54Å; F1176-V1256 HydrophobicContact CB-CG2 4.41Å; F1176-V1256 HydrophobicContact CD1-CB 4.41Å; F1176-V1256 HydrophobicContact CD1-CG1 3.78Å; F1176-V1256 HydrophobicContact CD1-CG2 3.7Å; F1176-V1256 HydrophobicContact CD2-CG1 4.18Å; F1176-V1256 HydrophobicContact CD2-CG2 4.45Å; F1176-V1256 HydrophobicContact CE1-CB 4.31Å; F1176-V1256 HydrophobicContact CE1-CG1 3.26Å; F1176-V1256 HydrophobicContact CE1-CG2 4.07Å; F1176-V1256 HydrophobicContact CE2-CG1 3.72Å; F1176-V1256 HydrophobicContact CG-CG1 4.23Å; F1176-V1256 HydrophobicContact CG-CG2 3.93Å; F1176-V1256 HydrophobicContact CZ-CG1 3.25Å; F1176-T1258 HydrophobicContact CD1-CG2 4.27Å; F1176-T1258 HydrophobicContact CE1-CG2 4.49Å |
| 1177 | T | 85.1 | Confident | 70.5 | Confident | 6 Ų | 6 | 46.9 Ų | 46.9 | 4% | 0.037 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 119.1 | 173.7 | -60.1 | 0 | 0 | 0 | 0 | 108.8 | I1168 S1169 E1170 H1179 R1224 | I1168-T1177 WeakPolarHBondContact CA-O 3.47Å; S1169-T1177 PolarHBondContact N-O 2.7Å; S1169-T1177 PolarHBondContact O-N 3.19Å; E1170-T1177 PolarHBondContact OE2-OG1 2.77Å; T1177-H1179 WeakPolarHBondContact CG2-NE2 3.12Å; T1177-R1224 HydrophobicContact CG2-CB 4.38Å; T1177-R1224 WeakPolarHBondContact OG1-CB 3.43Å; T1177-R1224 VanDerWaalsContact OG1-CG 3.3Å; T1177-R1224 WeakPolarHBondContact OG1-CG 3.34Å |
| 1178 | V | 86.2 | Confident | 68.1 | Low | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 128.4 | 172.1 | 55.4 | 0 | 0 | 0 | 0 | 108.5 | I1168 W1180 V1199 S1222 F1223 I1225 V1236 | I1168-V1178 HydrophobicContact CG1-CB 4.46Å; I1168-V1178 HydrophobicContact CG1-CG2 4.48Å; V1178-W1180 HydrophobicContact CG1-CE3 4.36Å; V1178-W1180 HydrophobicContact CG1-CZ3 3.97Å; V1178-W1180 HydrophobicContact CG2-CE3 4.27Å; V1178-W1180 WeakPolarHBondContact O-CZ3 3.25Å; V1178-V1199 HydrophobicContact CG1-CG1 4.02Å; V1178-V1199 HydrophobicContact CG1-CG2 4.4Å; V1178-S1222 CarbonylContact O-C 3.59Å; V1178-S1222 WeakPolarHBondContact O-CA 3.48Å; V1178-S1222 WeakPolarHBondContact O-CB 3.21Å; V1178-F1223 HydrophobicContact CG1-CB 4.35Å; V1178-F1223 WeakPolarHBondContact CG1-O 3.28Å; V1178-F1223 PolarHBondContact N-O 2.87Å; V1178-F1223 PolarHBondContact O-N 2.82Å; V1178-I1225 HydrophobicContact CB-CD1 4.49Å; V1178-I1225 HydrophobicContact CG1-CD1 3.72Å; V1178-V1236 HydrophobicContact CB-CG1 4.38Å; V1178-V1236 HydrophobicContact CG1-CG1 4.3Å; V1178-V1236 HydrophobicContact CG2-CG1 4.14Å |
| 1179 | H | 85.8 | Confident | 65.8 | Low | 56 Ų | 56 | 55.1 Ų | 55.1 | 26% | 0.259 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 143.6 | 174.2 | -57.5 | -90.2 | 0 | 0 | 0 | 108.5 | L1166 T1167 S1169 T1177 T1221 S1222 | L1166-H1179 CarbonylContact C-O 3.57Å; L1166-H1179 VanDerWaalsContact CA-O 3.31Å; L1166-H1179 WeakPolarHBondContact CA-O 3.38Å; T1167-H1179 PolarHBondContact N-O 2.81Å; T1167-H1179 PolarHBondContact O-N 3.16Å; S1169-H1179 PolarHBondContact OG-CD2 2.85Å; S1169-H1179 PolarHBondContact OG-NE2 2.89Å; T1177-H1179 WeakPolarHBondContact CG2-NE2 3.12Å; H1179-T1221 WeakPolarHBondContact CA-O 3.37Å; H1179-S1222 VanDerWaalsContact ND1-CB 3.27Å; H1179-S1222 WeakPolarHBondContact ND1-CB 3.24Å |
| 1180 | W | 86.3 | Confident | 64 | Low | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.008 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 148.1 | 171.7 | 59.1 | 87.4 | 0 | 0 | 0 | 109 | P1163 L1166 V1178 Y1197 V1199 A1216 A1220 T1221 F1223 V1238 | P1163-W1180 HydrophobicContact CB-CB 4.41Å; P1163-W1180 HydrophobicContact CB-CG 4.33Å; L1166-W1180 HydrophobicContact CD1-CB 4.39Å; L1166-W1180 HydrophobicContact CG-CB 4.29Å; V1178-W1180 HydrophobicContact CG1-CE3 4.36Å; V1178-W1180 HydrophobicContact CG1-CZ3 3.97Å; V1178-W1180 HydrophobicContact CG2-CE3 4.27Å; V1178-W1180 WeakPolarHBondContact O-CZ3 3.25Å; W1180-Y1197 AromaticContact CE2-CD1 3.91Å; W1180-Y1197 HydrophobicContact CZ2-CD1 4.18Å; W1180-Y1197 AromaticContact CZ2-CG 3.99Å; W1180-Y1197 HydrophobicContact CZ2-CG 3.99Å; W1180-Y1197 AromaticContact NE1-CD1 3.28Å; W1180-Y1197 VanDerWaalsContact NE1-CD1 3.28Å; W1180-Y1197 AromaticContact NE1-CE1 3.53Å; W1180-Y1197 AromaticContact NE1-CG 3.83Å; W1180-V1199 HydrophobicContact CH2-CG2 3.79Å; W1180-V1199 HydrophobicContact CZ3-CG2 3.8Å; W1180-A1216 HydrophobicContact CH2-CB 3.57Å; W1180-A1216 HydrophobicContact CZ2-CB 3.96Å; W1180-A1220 HydrophobicContact CH2-CB 4.31Å; W1180-A1220 HydrophobicContact CZ2-CB 3.87Å; W1180-A1220 WeakPolarHBondContact CZ2-O 3.2Å; W1180-A1220 PolarHBondContact NE1-O 2.85Å; W1180-T1221 PolarHBondContact N-O 2.83Å; W1180-T1221 VanDerWaalsContact O-O 3.07Å; W1180-F1223 HydrophobicContact CH2-CB 3.7Å; W1180-F1223 HydrophobicContact CZ3-CB 3.76Å; W1180-V1238 HydrophobicContact CD2-CG1 3.94Å; W1180-V1238 HydrophobicContact CD2-CG2 4.16Å; W1180-V1238 HydrophobicContact CE3-CG1 4.31Å; W1180-V1238 HydrophobicContact CE3-CG2 3.87Å; W1180-V1238 HydrophobicContact CG-CG1 4.32Å; W1180-V1238 HydrophobicContact CZ2-CG1 4.22Å; W1180-V1238 HydrophobicContact CZ3-CG2 4.33Å |
| 1181 | D | 75.9 | Confident | 62.3 | Low | 87 Ų | 87 | 61.4 Ų | 61.4 | 47% | 0.465 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 142 | 165.8 | -65.1 | -28.4 | 0 | 0 | 0 | 107.9 | V1164 N1165 A1183 | V1164-D1181 HydrophobicContact CG2-CB 4.28Å; V1164-D1181 PolarHBondContact N-O 2.91Å; V1164-D1181 PolarHBondContact O-N 2.82Å; N1165-D1181 HydrophobicContact CB-CB 4.23Å; N1165-D1181 VanDerWaalsContact CB-OD2 3.25Å; N1165-D1181 WeakPolarHBondContact CB-OD2 3.27Å; N1165-D1181 PolarHBondContact ND2-OD2 2.81Å; D1181-A1183 PolarHBondContact O-N 3.34Å |
| 1182 | N | 65 | Low | 60.9 | Low | 28 Ų | 28 | 63.4 Ų | 63.4 | 15% | 0.15 | 32% | 0.319 | C | S | . | . | trans | -54.8 | 137.2 | 170.8 | -70.5 | -27.7 | 0 | 0 | 0 | 108.8 | L1184 N1193 Y1197 | N1182-L1184 PolarHBondContact O-N 3.27Å; N1182-N1193 PolarHBondContact ND2-ND2 2.78Å; N1182-Y1197 VanDerWaalsContact OD1-CZ 3.25Å; N1182-Y1197 PolarHBondContact OD1-OH 2.81Å | ||
| 1183 | A | 55.2 | Low | 60 | Low | 20 Ų | 20 | 64.8 Ų | 64.8 | 17% | 0.165 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -48.3 | 106.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | Q1161 P1162 D1181 E1185 | Q1161-A1183 WeakPolarHBondContact O-CB 3.02Å; P1162-A1183 WeakPolarHBondContact O-CB 3.23Å; D1181-A1183 PolarHBondContact O-N 3.34Å; A1183-E1185 PolarHBondContact O-N 2.65Å |
| 1184 | L | 48.6 | Very low | 59.3 | Low | 101 Ų | 101 | 66.3 Ų | 66.3 | 53% | 0.529 | 33% | 0.334 | S | S | . | . | trans | 0.6 | 96.9 | -171 | -82.9 | 154.9 | 0 | 0 | 0 | 113.6 | N1182 D1186 | N1182-L1184 PolarHBondContact O-N 3.27Å; L1184-D1186 PolarHBondContact O-N 2.71Å | ||
| 1185 | E | 44.5 | Very low | 58.8 | Low | 106 Ų | 106 | 65.2 Ų | 65.2 | 50% | 0.495 | 33% | 0.333 | S | S | . | . | trans | -57.7 | 92.9 | 157.7 | -87.9 | -175.7 | -174.4 | 0 | 0 | 107.8 | A1183 H1187 | A1183-E1185 PolarHBondContact O-N 2.65Å; E1185-H1187 PolarHBondContact O-N 3.44Å; E1185-H1187 IonicContact OE2-ND1 2.81Å | ||
| 1186 | D | 36.1 | Very low | 58.6 | Low | 31 Ų | 31 | 69.7 Ų | 69.7 | 17% | 0.166 | 35% | 0.35 | C | S | . | . | trans | -64.6 | 92.2 | 148.4 | -154.2 | -17.1 | 0 | 0 | 0 | 106.1 | L1100 N1128 L1184 L1188 | L1100-D1186 HydrophobicContact CD1-CB 3.69Å; L1100-D1186 WeakPolarHBondContact CD1-OD1 3.39Å; L1100-D1186 WeakPolarHBondContact CD1-OD2 3.25Å; L1100-D1186 HydrophobicContact CG-CB 4.23Å; L1100-D1186 VanDerWaalsContact CG-CG 3.41Å; L1100-D1186 WeakPolarHBondContact CG-OD1 3.44Å; N1128-D1186 PolarHBondContact ND2-O 2.84Å; N1128-D1186 VanDerWaalsContact ND2-O 3.08Å; N1128-D1186 PolarHBondContact ND2-OD1 2.91Å; L1184-D1186 PolarHBondContact O-N 2.71Å; D1186-L1188 PolarHBondContact O-N 2.8Å | ||
| 1187 | H | 33.4 | Very low | 58.5 | Low | 121 Ų | 121 | 69.9 Ų | 69.9 | 56% | 0.56 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -45.6 | 119.6 | -173.9 | -68.5 | -64.2 | 0 | 0 | 0 | 113 | N1128 E1185 | N1128-H1187 PolarHBondContact ND2-O 3.24Å; E1185-H1187 PolarHBondContact O-N 3.44Å; E1185-H1187 IonicContact OE2-ND1 2.81Å |
| 1188 | L | 34 | Very low | 58.4 | Low | 100 Ų | 100 | 72 Ų | 72 | 52% | 0.524 | 36% | 0.358 | S | S | . | . | 148.7 | 123.2 | 127.5 | -76.7 | 151.4 | 0 | 0 | 0 | 112.2 | L1151 D1186 | L1151-L1188 HydrophobicContact CD1-CD1 3.59Å; L1151-L1188 HydrophobicContact CD2-CB 3.49Å; L1151-L1188 VanDerWaalsContact CD2-CB 3.49Å; L1151-L1188 HydrophobicContact CD2-CD1 3.34Å; L1151-L1188 HydrophobicContact CD2-CG 3.98Å; L1151-L1188 HydrophobicContact CG-CD1 3.99Å; D1186-L1188 PolarHBondContact O-N 2.8Å | |||
| 1189 | F | 34.8 | Very low | 58.5 | Low | 191 Ų | 191 | 72 Ų | 72 | 84% | 0.838 | 36% | 0.358 | S | S | * | . | S | Bend | trans | 82.9 | 72.4 | 169.1 | -55.9 | -81.1 | 0 | 0 | 0 | 119 | ||
| 1190 | D | 39.4 | Very low | 58.5 | Low | 119 Ų | 119 | 70 Ų | 70 | 64% | 0.636 | 35% | 0.349 | S | S | * | . | -153.5 | 128.8 | 111.6 | -154.5 | -10.5 | 0 | 0 | 0 | 109.2 | N1192 | D1190-N1192 PolarHBondContact O-N 3.16Å; D1190-N1192 VanDerWaalsContact O-N 3.14Å; D1190-N1192 PolarHBondContact OD1-N 3.12Å | |||
| 1191 | N | 38.3 | Very low | 58.5 | Low | 170 Ų | 170 | 70 Ų | 70 | 91% | 0.909 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -77.2 | 18.4 | 171.1 | -95.4 | -16.2 | 0 | 0 | 0 | 111.6 | ||
| 1192 | N | 46.1 | Very low | 58.8 | Low | 96 Ų | 96 | 69.3 Ų | 69.3 | 51% | 0.513 | 34% | 0.342 | S | S | . | . | trans | -119.7 | 80.5 | 167.6 | -72.5 | -35.8 | 0 | 0 | 0 | 106.9 | D1190 N1194 | D1190-N1192 PolarHBondContact O-N 3.16Å; D1190-N1192 VanDerWaalsContact O-N 3.14Å; D1190-N1192 PolarHBondContact OD1-N 3.12Å; N1192-N1194 HydrophobicContact CB-CB 4.29Å; N1192-N1194 PolarHBondContact O-N 2.88Å | ||
| 1193 | N | 49.6 | Very low | 59.5 | Low | 45 Ų | 45 | 69.7 Ų | 69.7 | 24% | 0.241 | 35% | 0.345 | C | S | . | . | trans | -71 | 48.1 | 170.3 | -160.5 | 4.8 | 0 | 0 | 0 | 110 | N1182 N1195 S1219 | N1182-N1193 PolarHBondContact ND2-ND2 2.78Å; N1193-N1195 PolarHBondContact O-N 3.41Å; N1193-S1219 VanDerWaalsContact C-OG 3.31Å; N1193-S1219 WeakPolarHBondContact O-CA 3.45Å; N1193-S1219 VanDerWaalsContact O-CB 3.29Å; N1193-S1219 WeakPolarHBondContact O-CB 3.25Å; N1193-S1219 PolarHBondContact O-N 2.82Å; N1193-S1219 PolarHBondContact O-OG 3.45Å | ||
| 1194 | N | 56.6 | Low | 60.5 | Low | 46 Ų | 46 | 72.6 Ų | 72.6 | 25% | 0.246 | 36% | 0.358 | C | S | . | . | trans | -80.1 | 21.5 | -162.6 | -87.9 | 4.1 | 0 | 0 | 0 | 112.6 | N1192 Q1218 T1243 | N1192-N1194 HydrophobicContact CB-CB 4.29Å; N1192-N1194 PolarHBondContact O-N 2.88Å; N1194-Q1218 VanDerWaalsContact CA-CG 3.42Å; N1194-Q1218 VanDerWaalsContact CA-NE2 3.28Å; N1194-Q1218 HydrophobicContact CB-CG 4.1Å; N1194-Q1218 PolarHBondContact O-NE2 2.71Å; N1194-Q1218 PolarHBondContact OD1-NE2 3.17Å; N1194-Q1218 PolarHBondContact OD1-OE1 2.91Å; N1194-T1243 HydrophobicContact CB-CG2 3.27Å; N1194-T1243 WeakPolarHBondContact O-CG2 3.41Å | ||
| 1195 | N | 66.1 | Low | 61.3 | Low | 41 Ų | 41 | 75.4 Ų | 75.4 | 22% | 0.219 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 131.1 | 176 | -60.1 | -28.1 | 0 | 0 | 0 | 109.2 | N1193 Y1197 Q1218 S1219 I1241 D1242 | N1193-N1195 PolarHBondContact O-N 3.41Å; N1195-Y1197 HydrophobicContact CB-CE2 3.85Å; N1195-Y1197 WeakPolarHBondContact O-CD2 3.45Å; N1195-Y1197 WeakPolarHBondContact O-CE2 3.38Å; N1195-Q1218 WeakPolarHBondContact O-CA 3.48Å; N1195-S1219 PolarHBondContact O-N 2.93Å; N1195-I1241 CarbonylContact C-O 3.59Å; N1195-I1241 WeakPolarHBondContact CA-O 3.35Å; N1195-D1242 WeakPolarHBondContact OD1-CA 3.06Å |
| 1196 | Y | 77 | Confident | 61.9 | Low | 97 Ų | 97 | 75.4 Ų | 75.4 | 38% | 0.38 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 126.7 | 172.9 | -81.3 | -92.4 | 0 | 0 | 0 | 109.1 | Q1218 C1240 I1241 | Y1196-Q1218 HydrophobicContact CE1-CB 4.37Å; Y1196-C1240 CarbonylContact O-C 3.5Å; Y1196-C1240 WeakPolarHBondContact O-CA 3.47Å; Y1196-I1241 PolarHBondContact N-O 3.16Å; Y1196-I1241 PolarHBondContact O-N 3.39Å |
| 1197 | Y | 84.1 | Confident | 62.6 | Low | 4 Ų | 4 | 83 Ų | 83 | 2% | 0.016 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 137 | 176.9 | -67.8 | -96.8 | 0 | 0 | 0 | 110.2 | P1163 W1180 N1182 N1195 N1215 A1216 G1217 A1220 V1238 Q1239 C1240 | P1163-Y1197 HydrophobicContact CG-CD1 4.16Å; P1163-Y1197 HydrophobicContact CG-CE1 4.08Å; W1180-Y1197 AromaticContact CE2-CD1 3.91Å; W1180-Y1197 HydrophobicContact CZ2-CD1 4.18Å; W1180-Y1197 AromaticContact CZ2-CG 3.99Å; W1180-Y1197 HydrophobicContact CZ2-CG 3.99Å; W1180-Y1197 AromaticContact NE1-CD1 3.28Å; W1180-Y1197 VanDerWaalsContact NE1-CD1 3.28Å; W1180-Y1197 AromaticContact NE1-CE1 3.53Å; W1180-Y1197 AromaticContact NE1-CG 3.83Å; N1182-Y1197 VanDerWaalsContact OD1-CZ 3.25Å; N1182-Y1197 PolarHBondContact OD1-OH 2.81Å; N1195-Y1197 HydrophobicContact CB-CE2 3.85Å; N1195-Y1197 WeakPolarHBondContact O-CD2 3.45Å; N1195-Y1197 WeakPolarHBondContact O-CE2 3.38Å; Y1197-N1215 PolarHBondContact O-OD1 3.14Å; Y1197-A1216 PolarHBondContact O-N 3.02Å; Y1197-G1217 PolarHBondContact N-O 3.02Å; Y1197-G1217 VanDerWaalsContact N-O 3.13Å; Y1197-A1220 WeakPolarHBondContact CD2-O 3.09Å; Y1197-V1238 HydrophobicContact CD1-CG1 4.19Å; Y1197-Q1239 WeakPolarHBondContact CA-O 3.44Å; Y1197-C1240 HydrophobicContact CD1-CB 3.85Å; Y1197-C1240 HydrophobicContact CE1-CB 3.65Å |
| 1198 | Y | 84.4 | Confident | 63.6 | Low | 52 Ų | 52 | 82.1 Ų | 82.1 | 20% | 0.204 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 125.5 | 175.2 | -69.4 | -86.5 | 0 | 0 | 0 | 110 | Q1213 F1214 N1215 V1238 Q1239 I1241 | Y1198-Q1213 HydrophobicContact CD1-CG 3.74Å; Y1198-Q1213 HydrophobicContact CG-CG 4.3Å; Y1198-F1214 CarbonylContact C-O 3.5Å; Y1198-F1214 VanDerWaalsContact CA-O 3.24Å; Y1198-F1214 WeakPolarHBondContact CA-O 3.4Å; Y1198-N1215 HydrophobicContact CD1-CB 4.02Å; Y1198-N1215 HydrophobicContact CE1-CB 3.73Å; Y1198-V1238 WeakPolarHBondContact O-CA 3.5Å; Y1198-Q1239 PolarHBondContact N-O 3Å; Y1198-Q1239 PolarHBondContact O-N 3.04Å; Y1198-I1241 HydrophobicContact CD2-CD1 3.8Å; Y1198-I1241 HydrophobicContact CD2-CG1 4.06Å; Y1198-I1241 HydrophobicContact CE2-CD1 3.47Å; Y1198-I1241 VanDerWaalsContact CE2-CD1 3.47Å; Y1198-I1241 HydrophobicContact CE2-CG1 4.02Å |
| 1199 | V | 86.5 | Confident | 64.6 | Low | 0 Ų | 0 | 85.3 Ų | 85.3 | 0% | 0 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 126.6 | 176.6 | -177.7 | 0 | 0 | 0 | 0 | 108.5 | V1178 W1180 I1201 Q1213 F1214 A1216 F1223 I1225 V1236 V1238 | V1178-V1199 HydrophobicContact CG1-CG1 4.02Å; V1178-V1199 HydrophobicContact CG1-CG2 4.4Å; W1180-V1199 HydrophobicContact CH2-CG2 3.79Å; W1180-V1199 HydrophobicContact CZ3-CG2 3.8Å; V1199-I1201 HydrophobicContact CG1-CD1 4.37Å; V1199-I1201 HydrophobicContact CG1-CG1 4.06Å; V1199-Q1213 CarbonylContact O-C 3.51Å; V1199-Q1213 WeakPolarHBondContact O-CA 3.43Å; V1199-F1214 HydrophobicContact CB-CB 4.39Å; V1199-F1214 PolarHBondContact N-O 2.75Å; V1199-F1214 PolarHBondContact O-N 2.7Å; V1199-A1216 HydrophobicContact CG2-CB 4.09Å; V1199-F1223 HydrophobicContact CB-CD1 4.37Å; V1199-F1223 HydrophobicContact CG2-CB 3.93Å; V1199-F1223 HydrophobicContact CG2-CD1 4.13Å; V1199-F1223 HydrophobicContact CG2-CG 4.19Å; V1199-I1225 HydrophobicContact CG1-CD1 4.33Å; V1199-V1236 HydrophobicContact CG1-CG1 3.83Å; V1199-V1238 HydrophobicContact CG2-CG1 4.47Å; V1199-V1238 HydrophobicContact CG2-CG2 4.19Å |
| 1200 | F | 86.5 | Confident | 65.8 | Low | 14 Ų | 14 | 84.8 Ų | 84.8 | 6% | 0.061 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 126.9 | 178.3 | -65.9 | -89.8 | 0 | 0 | 0 | 109.6 | P1211 I1212 Q1213 V1236 S1237 Q1239 K1250 | F1200-P1211 HydrophobicContact CB-CB 4.25Å; F1200-P1211 HydrophobicContact CD1-CB 4.35Å; F1200-P1211 HydrophobicContact CD1-CG 4.34Å; F1200-I1212 WeakPolarHBondContact CA-O 3.1Å; F1200-Q1213 HydrophobicContact CD1-CB 3.94Å; F1200-Q1213 HydrophobicContact CD1-CG 4.16Å; F1200-Q1213 HydrophobicContact CE1-CB 3.74Å; F1200-Q1213 HydrophobicContact CE1-CG 3.61Å; F1200-Q1213 HydrophobicContact CZ-CB 4.48Å; F1200-Q1213 HydrophobicContact CZ-CG 3.86Å; F1200-V1236 WeakPolarHBondContact O-CA 3.16Å; F1200-S1237 PolarHBondContact N-O 2.82Å; F1200-S1237 PolarHBondContact O-N 3.02Å; F1200-Q1239 HydrophobicContact CD2-CB 4.37Å; F1200-Q1239 HydrophobicContact CE2-CB 3.68Å; F1200-K1250 VanDerWaalsContact CD1-NZ 3.29Å; F1200-K1250 HydrophobicContact CD2-CD 4.1Å; F1200-K1250 HydrophobicContact CD2-CG 4.47Å; F1200-K1250 HydrophobicContact CE2-CD 4.37Å; F1200-K1250 HydrophobicContact CE2-CG 4.48Å; F1200-K1250 HydrophobicContact CG-CD 4.36Å |
| 1201 | I | 86.4 | Confident | 67.2 | Low | 1 Ų | 1 | 81.7 Ų | 81.7 | 1% | 0.005 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 131 | -177.9 | -55.5 | -179.5 | 0 | 0 | 0 | 109.6 | V1199 P1211 I1212 F1214 I1225 Y1234 S1235 V1236 | V1199-I1201 HydrophobicContact CG1-CD1 4.37Å; V1199-I1201 HydrophobicContact CG1-CG1 4.06Å; I1201-P1211 CarbonylContact O-C 3.54Å; I1201-P1211 WeakPolarHBondContact O-CA 3.32Å; I1201-I1212 PolarHBondContact N-O 3.2Å; I1201-I1212 PolarHBondContact O-N 3.33Å; I1201-F1214 HydrophobicContact CB-CE2 4.37Å; I1201-F1214 HydrophobicContact CD1-CD2 3.86Å; I1201-F1214 HydrophobicContact CD1-CE2 3.64Å; I1201-F1214 HydrophobicContact CG1-CD2 4.21Å; I1201-F1214 HydrophobicContact CG1-CE2 4.15Å; I1201-I1225 HydrophobicContact CD1-CB 4.11Å; I1201-I1225 HydrophobicContact CD1-CD1 3.29Å; I1201-I1225 HydrophobicContact CD1-CG1 3.56Å; I1201-I1225 HydrophobicContact CD1-CG2 3.52Å; I1201-I1225 HydrophobicContact CG1-CD1 4.3Å; I1201-Y1234 HydrophobicContact CG2-CD1 3.47Å; I1201-Y1234 VanDerWaalsContact CG2-CD1 3.47Å; I1201-Y1234 HydrophobicContact CG2-CE1 4.22Å; I1201-Y1234 HydrophobicContact CG2-CG 4.08Å; I1201-S1235 WeakPolarHBondContact CA-O 3.4Å; I1201-V1236 HydrophobicContact CG1-CG1 4.44Å; I1201-V1236 HydrophobicContact CG1-CG2 4.43Å |
| 1202 | K | 82 | Confident | 69 | Low | 73 Ų | 73 | 77.9 Ų | 77.9 | 32% | 0.317 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 130.4 | 172.9 | 67.8 | -176 | -173.6 | -167.7 | 0 | 111 | P1211 Y1234 S1235 E1253 | K1202-P1211 HydrophobicContact CB-CB 4.31Å; K1202-Y1234 CarbonylContact O-C 3.59Å; K1202-Y1234 WeakPolarHBondContact O-CA 3.31Å; K1202-S1235 VanDerWaalsContact CE-CB 3.43Å; K1202-S1235 VanDerWaalsContact CE-OG 3.26Å; K1202-S1235 WeakPolarHBondContact CE-OG 3.45Å; K1202-S1235 PolarHBondContact N-O 2.94Å; K1202-S1235 PolarHBondContact O-N 2.86Å; K1202-E1253 WeakPolarHBondContact CE-OE1 3.41Å; K1202-E1253 WeakPolarHBondContact CE-OE2 3.24Å; K1202-E1253 IonicContact NZ-OE1 3.96Å; K1202-E1253 PolarHBondContact NZ-OE1 2.85Å; K1202-E1253 IonicContact NZ-OE2 3.16Å; K1202-E1253 PolarHBondContact NZ-OE2 2.76Å |
| 1203 | P | 80.2 | Confident | 70.7 | Confident | 35 Ų | 35 | 78.2 Ų | 78.2 | 23% | 0.227 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 136.7 | 168.9 | 27.3 | -30.8 | 0 | 0 | 0 | 110 | H1205 N1206 T1232 W1233 Y1234 | P1203-H1205 VanDerWaalsContact C-N 3.34Å; P1203-H1205 PolarHBondContact O-N 2.65Å; P1203-N1206 HydrophobicContact CG-CB 4.22Å; P1203-T1232 HydrophobicContact CB-CG2 4.17Å; P1203-W1233 WeakPolarHBondContact CA-O 3.2Å; P1203-Y1234 HydrophobicContact CB-CD1 4.03Å; P1203-Y1234 HydrophobicContact CB-CE1 3.75Å; P1203-Y1234 HydrophobicContact CG-CE1 4.35Å |
| 1204 | L | 75.1 | Confident | 72.2 | Confident | 82 Ų | 82 | 79 Ų | 79 | 43% | 0.429 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -24.2 | -175.9 | -95.2 | 152.8 | 0 | 0 | 0 | 114 | W1233 F1255 | L1204-W1233 HydrophobicContact CB-CB 4.08Å; L1204-W1233 HydrophobicContact CD1-CB 3.59Å; L1204-W1233 HydrophobicContact CD1-CG 4.47Å; L1204-W1233 HydrophobicContact CG-CB 4.46Å; L1204-W1233 PolarHBondContact N-O 2.9Å; L1204-F1255 HydrophobicContact CD1-CD1 3.46Å; L1204-F1255 VanDerWaalsContact CD1-CD1 3.46Å; L1204-F1255 HydrophobicContact CD1-CE1 3.84Å; L1204-F1255 HydrophobicContact CD1-CG 4.47Å; L1204-F1255 HydrophobicContact CD2-CE1 4.07Å; L1204-F1255 HydrophobicContact CG-CD1 4.31Å; L1204-F1255 HydrophobicContact CG-CE1 4.27Å |
| 1205 | H | 65.8 | Low | 73.4 | Confident | 159 Ų | 159 | 80.4 Ų | 80.4 | 74% | 0.736 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.6 | 15.4 | -168.1 | -71.7 | 83.7 | 0 | 0 | 0 | 115 | P1203 | P1203-H1205 VanDerWaalsContact C-N 3.34Å; P1203-H1205 PolarHBondContact O-N 2.65Å |
| 1206 | N | 56.4 | Low | 74.1 | Confident | 107 Ų | 107 | 79.4 Ų | 79.4 | 57% | 0.572 | 39% | 0.393 | S | S | * | . | trans | -125.4 | 131 | -179.4 | -153.6 | -4 | 0 | 0 | 0 | 112.5 | P1203 T1208 | P1203-N1206 HydrophobicContact CG-CB 4.22Å; N1206-T1208 PolarHBondContact O-N 3.19Å | ||
| 1207 | H | 52.1 | Low | 73.9 | Confident | 189 Ų | 189 | 75.8 Ų | 75.8 | 88% | 0.875 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -74.3 | 12.9 | -166.8 | -71.4 | -69.4 | 0 | 0 | 0 | 116.3 | N1209 | H1207-N1209 PolarHBondContact O-N 3.19Š|
| 1208 | T | 55.2 | Low | 73.5 | Confident | 104 Ų | 104 | 79.5 Ų | 79.5 | 64% | 0.638 | 40% | 0.403 | S | S | * | . | trans | -95.6 | 93.3 | 172.1 | 55.6 | 0 | 0 | 0 | 0 | 109.9 | N1206 K1210 | N1206-T1208 PolarHBondContact O-N 3.19Å; T1208-K1210 PolarHBondContact O-N 3.05Å | ||
| 1209 | N | 53.4 | Low | 72.8 | Confident | 166 Ų | 166 | 79.1 Ų | 79.1 | 89% | 0.888 | 41% | 0.409 | S | S | * | . | trans | -67.1 | 22.3 | -171.1 | -111.3 | -1.5 | 0 | 0 | 0 | 116.7 | H1207 | H1207-N1209 PolarHBondContact O-N 3.19Š| ||
| 1210 | K | 59.9 | Low | 72.3 | Confident | 181 Ų | 181 | 79.9 Ų | 79.9 | 79% | 0.787 | 41% | 0.414 | S | S | * | . | trans | -104.6 | 114.9 | 177.7 | -90.7 | -172.3 | 174.6 | -177.5 | 0 | 111.1 | T1208 | T1208-K1210 PolarHBondContact O-N 3.05Š| ||
| 1211 | P | 68.7 | Low | 72.1 | Confident | 53 Ų | 53 | 82.6 Ų | 82.6 | 34% | 0.344 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 136.9 | 172 | 25.5 | -31.4 | 0 | 0 | 0 | 110.3 | F1200 I1201 K1202 | F1200-P1211 HydrophobicContact CB-CB 4.25Å; F1200-P1211 HydrophobicContact CD1-CB 4.35Å; F1200-P1211 HydrophobicContact CD1-CG 4.34Å; I1201-P1211 CarbonylContact O-C 3.54Å; I1201-P1211 WeakPolarHBondContact O-CA 3.32Å; K1202-P1211 HydrophobicContact CB-CB 4.31Å |
| 1212 | I | 77.3 | Confident | 72 | Confident | 90 Ų | 90 | 84.9 Ų | 84.9 | 46% | 0.462 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 123.5 | 174.3 | -54 | 173.7 | 0 | 0 | 0 | 107.4 | F1200 I1201 F1214 | F1200-I1212 WeakPolarHBondContact CA-O 3.1Å; I1201-I1212 PolarHBondContact N-O 3.2Å; I1201-I1212 PolarHBondContact O-N 3.33Å; I1212-F1214 HydrophobicContact CB-CE2 3.94Å; I1212-F1214 HydrophobicContact CB-CZ 4.4Å; I1212-F1214 HydrophobicContact CG2-CD2 4.17Å; I1212-F1214 HydrophobicContact CG2-CE1 4.29Å; I1212-F1214 HydrophobicContact CG2-CE2 3.43Å; I1212-F1214 VanDerWaalsContact CG2-CE2 3.43Å; I1212-F1214 HydrophobicContact CG2-CZ 3.51Å |
| 1213 | Q | 82.2 | Confident | 72.1 | Confident | 104 Ų | 104 | 83.5 Ų | 83.5 | 49% | 0.486 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 122.8 | -179.1 | -179.5 | 179.8 | -8.2 | 0 | 0 | 110 | Y1198 V1199 F1200 | Y1198-Q1213 HydrophobicContact CD1-CG 3.74Å; Y1198-Q1213 HydrophobicContact CG-CG 4.3Å; V1199-Q1213 CarbonylContact O-C 3.51Å; V1199-Q1213 WeakPolarHBondContact O-CA 3.43Å; F1200-Q1213 HydrophobicContact CD1-CB 3.94Å; F1200-Q1213 HydrophobicContact CD1-CG 4.16Å; F1200-Q1213 HydrophobicContact CE1-CB 3.74Å; F1200-Q1213 HydrophobicContact CE1-CG 3.61Å; F1200-Q1213 HydrophobicContact CZ-CB 4.48Å; F1200-Q1213 HydrophobicContact CZ-CG 3.86Å |
| 1214 | F | 81 | Confident | 72.3 | Confident | 60 Ų | 60 | 87 Ų | 87 | 26% | 0.263 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 132.6 | 174.2 | -63.2 | -86.8 | 0 | 0 | 0 | 109.5 | Y1198 V1199 I1201 I1212 A1216 F1223 | Y1198-F1214 CarbonylContact C-O 3.5Å; Y1198-F1214 VanDerWaalsContact CA-O 3.24Å; Y1198-F1214 WeakPolarHBondContact CA-O 3.4Å; V1199-F1214 HydrophobicContact CB-CB 4.39Å; V1199-F1214 PolarHBondContact N-O 2.75Å; V1199-F1214 PolarHBondContact O-N 2.7Å; I1201-F1214 HydrophobicContact CB-CE2 4.37Å; I1201-F1214 HydrophobicContact CD1-CD2 3.86Å; I1201-F1214 HydrophobicContact CD1-CE2 3.64Å; I1201-F1214 HydrophobicContact CG1-CD2 4.21Å; I1201-F1214 HydrophobicContact CG1-CE2 4.15Å; I1212-F1214 HydrophobicContact CB-CE2 3.94Å; I1212-F1214 HydrophobicContact CB-CZ 4.4Å; I1212-F1214 HydrophobicContact CG2-CD2 4.17Å; I1212-F1214 HydrophobicContact CG2-CE1 4.29Å; I1212-F1214 HydrophobicContact CG2-CE2 3.43Å; I1212-F1214 VanDerWaalsContact CG2-CE2 3.43Å; I1212-F1214 HydrophobicContact CG2-CZ 3.51Å; F1214-A1216 PolarHBondContact O-N 2.82Å; F1214-F1223 HydrophobicContact CB-CD1 4.25Å; F1214-F1223 HydrophobicContact CB-CE1 3.44Å; F1214-F1223 VanDerWaalsContact CB-CE1 3.44Å; F1214-F1223 HydrophobicContact CB-CZ 3.69Å; F1214-F1223 HydrophobicContact CD1-CE1 4.02Å; F1214-F1223 HydrophobicContact CD1-CZ 4.17Å; F1214-F1223 HydrophobicContact CD2-CE1 4.5Å; F1214-F1223 AromaticContact CG-CE1 3.75Å; F1214-F1223 HydrophobicContact CG-CE1 3.75Å; F1214-F1223 HydrophobicContact CG-CZ 4.19Å |
| 1215 | N | 82.1 | Confident | 72.6 | Confident | 77 Ų | 77 | 83.2 Ų | 83.2 | 41% | 0.412 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 108.6 | 170.1 | -174.2 | -3.1 | 0 | 0 | 0 | 107.9 | Y1197 Y1198 G1217 | Y1197-N1215 PolarHBondContact O-OD1 3.14Å; Y1198-N1215 HydrophobicContact CD1-CB 4.02Å; Y1198-N1215 HydrophobicContact CE1-CB 3.73Å; N1215-G1217 PolarHBondContact O-N 2.95Å; N1215-G1217 WeakPolarHBondContact OD1-CA 3.3Å; N1215-G1217 PolarHBondContact OD1-N 3.45Å |
| 1216 | A | 79.1 | Confident | 73.2 | Confident | 19 Ų | 19 | 82.7 Ų | 82.7 | 16% | 0.157 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | -13.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | W1180 Y1197 V1199 F1214 A1220 F1223 | W1180-A1216 HydrophobicContact CH2-CB 3.57Å; W1180-A1216 HydrophobicContact CZ2-CB 3.96Å; Y1197-A1216 PolarHBondContact O-N 3.02Å; V1199-A1216 HydrophobicContact CG2-CB 4.09Å; F1214-A1216 PolarHBondContact O-N 2.82Å; A1216-A1220 HydrophobicContact CB-CB 3.74Å; A1216-A1220 VanDerWaalsContact O-CB 3.25Å; A1216-A1220 WeakPolarHBondContact O-CB 3.39Å; A1216-F1223 VanDerWaalsContact CA-CD2 3.47Å; A1216-F1223 HydrophobicContact CB-CB 3.94Å; A1216-F1223 HydrophobicContact CB-CD2 3.67Å; A1216-F1223 HydrophobicContact CB-CE2 4.41Å; A1216-F1223 HydrophobicContact CB-CG 3.96Å |
| 1217 | G | 74.3 | Confident | 74.2 | Confident | 22 Ų | 22 | 82.5 Ų | 82.5 | 23% | 0.227 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 97.3 | -178 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y1197 N1215 | Y1197-G1217 PolarHBondContact N-O 3.02Å; Y1197-G1217 VanDerWaalsContact N-O 3.13Å; N1215-G1217 PolarHBondContact O-N 2.95Å; N1215-G1217 WeakPolarHBondContact OD1-CA 3.3Å; N1215-G1217 PolarHBondContact OD1-N 3.45Å |
| 1218 | Q | 74.3 | Confident | 75.6 | Confident | 81 Ų | 81 | 74.3 Ų | 74.3 | 38% | 0.379 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 132.4 | -178.6 | -170.8 | 162.6 | 54.4 | 0 | 0 | 110 | N1194 N1195 Y1196 A1220 | N1194-Q1218 VanDerWaalsContact CA-CG 3.42Å; N1194-Q1218 VanDerWaalsContact CA-NE2 3.28Å; N1194-Q1218 HydrophobicContact CB-CG 4.1Å; N1194-Q1218 PolarHBondContact O-NE2 2.71Å; N1194-Q1218 PolarHBondContact OD1-NE2 3.17Å; N1194-Q1218 PolarHBondContact OD1-OE1 2.91Å; N1195-Q1218 WeakPolarHBondContact O-CA 3.48Å; Y1196-Q1218 HydrophobicContact CE1-CB 4.37Å; Q1218-A1220 PolarHBondContact O-N 2.97Å; Q1218-A1220 VanDerWaalsContact O-N 3.1Å |
| 1219 | S | 71 | Confident | 76.7 | Confident | 45 Ų | 45 | 72.4 Ų | 72.4 | 32% | 0.315 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.1 | 16.5 | 179.6 | -37 | 0 | 0 | 0 | 0 | 115.5 | N1193 N1195 T1221 | N1193-S1219 VanDerWaalsContact C-OG 3.31Å; N1193-S1219 WeakPolarHBondContact O-CA 3.45Å; N1193-S1219 VanDerWaalsContact O-CB 3.29Å; N1193-S1219 WeakPolarHBondContact O-CB 3.25Å; N1193-S1219 PolarHBondContact O-N 2.82Å; N1193-S1219 PolarHBondContact O-OG 3.45Å; N1195-S1219 PolarHBondContact O-N 2.93Å; S1219-T1221 PolarHBondContact O-N 2.82Å |
| 1220 | A | 75.3 | Confident | 77.7 | Confident | 15 Ų | 15 | 66.5 Ų | 66.5 | 12% | 0.124 | 36% | 0.359 | C | S | . | . | trans | -66.2 | 132.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | W1180 Y1197 A1216 Q1218 | W1180-A1220 HydrophobicContact CH2-CB 4.31Å; W1180-A1220 HydrophobicContact CZ2-CB 3.87Å; W1180-A1220 WeakPolarHBondContact CZ2-O 3.2Å; W1180-A1220 PolarHBondContact NE1-O 2.85Å; Y1197-A1220 WeakPolarHBondContact CD2-O 3.09Å; A1216-A1220 HydrophobicContact CB-CB 3.74Å; A1216-A1220 VanDerWaalsContact O-CB 3.25Å; A1216-A1220 WeakPolarHBondContact O-CB 3.39Å; Q1218-A1220 PolarHBondContact O-N 2.97Å; Q1218-A1220 VanDerWaalsContact O-N 3.1Å | ||
| 1221 | T | 82.2 | Confident | 78.5 | Confident | 72 Ų | 72 | 62.2 Ų | 62.2 | 44% | 0.442 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -110.7 | -3 | 172.7 | 54 | 0 | 0 | 0 | 0 | 112.4 | H1179 W1180 S1219 | H1179-T1221 WeakPolarHBondContact CA-O 3.37Å; W1180-T1221 PolarHBondContact N-O 2.83Å; W1180-T1221 VanDerWaalsContact O-O 3.07Å; S1219-T1221 PolarHBondContact O-N 2.82Å |
| 1222 | S | 83.8 | Confident | 78.9 | Confident | 49 Ų | 49 | 61.2 Ų | 61.2 | 34% | 0.343 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 156.9 | 172.5 | 61.7 | 0 | 0 | 0 | 0 | 110.4 | V1178 H1179 | V1178-S1222 CarbonylContact O-C 3.59Å; V1178-S1222 WeakPolarHBondContact O-CA 3.48Å; V1178-S1222 WeakPolarHBondContact O-CB 3.21Å; H1179-S1222 VanDerWaalsContact ND1-CB 3.27Å; H1179-S1222 WeakPolarHBondContact ND1-CB 3.24Å |
| 1223 | F | 85 | Confident | 79.1 | Confident | 43 Ų | 43 | 62.4 Ų | 62.4 | 19% | 0.189 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 121.5 | 174.7 | -172.1 | -105.9 | 0 | 0 | 0 | 110 | V1178 W1180 V1199 F1214 A1216 I1225 | V1178-F1223 HydrophobicContact CG1-CB 4.35Å; V1178-F1223 WeakPolarHBondContact CG1-O 3.28Å; V1178-F1223 PolarHBondContact N-O 2.87Å; V1178-F1223 PolarHBondContact O-N 2.82Å; W1180-F1223 HydrophobicContact CH2-CB 3.7Å; W1180-F1223 HydrophobicContact CZ3-CB 3.76Å; V1199-F1223 HydrophobicContact CB-CD1 4.37Å; V1199-F1223 HydrophobicContact CG2-CB 3.93Å; V1199-F1223 HydrophobicContact CG2-CD1 4.13Å; V1199-F1223 HydrophobicContact CG2-CG 4.19Å; F1214-F1223 HydrophobicContact CB-CD1 4.25Å; F1214-F1223 HydrophobicContact CB-CE1 3.44Å; F1214-F1223 VanDerWaalsContact CB-CE1 3.44Å; F1214-F1223 HydrophobicContact CB-CZ 3.69Å; F1214-F1223 HydrophobicContact CD1-CE1 4.02Å; F1214-F1223 HydrophobicContact CD1-CZ 4.17Å; F1214-F1223 HydrophobicContact CD2-CE1 4.5Å; F1214-F1223 AromaticContact CG-CE1 3.75Å; F1214-F1223 HydrophobicContact CG-CE1 3.75Å; F1214-F1223 HydrophobicContact CG-CZ 4.19Å; A1216-F1223 VanDerWaalsContact CA-CD2 3.47Å; A1216-F1223 HydrophobicContact CB-CB 3.94Å; A1216-F1223 HydrophobicContact CB-CD2 3.67Å; A1216-F1223 HydrophobicContact CB-CE2 4.41Å; A1216-F1223 HydrophobicContact CB-CG 3.96Å; F1223-I1225 HydrophobicContact CD1-CG1 3.65Å; F1223-I1225 HydrophobicContact CE1-CG1 3.97Å |
| 1224 | R | 83.3 | Confident | 79.3 | Confident | 108 Ų | 108 | 58.1 Ų | 58.1 | 41% | 0.408 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 118.7 | 175.9 | -172.8 | 166.7 | -170.6 | -152.9 | 0.3 | 109.4 | E1170 T1177 E1431 | E1170-R1224 IonicContact OE2-NE 3.56Å; T1177-R1224 HydrophobicContact CG2-CB 4.38Å; T1177-R1224 WeakPolarHBondContact OG1-CB 3.43Å; T1177-R1224 VanDerWaalsContact OG1-CG 3.3Å; T1177-R1224 WeakPolarHBondContact OG1-CG 3.34Å; R1224-E1431 IonicContact NH2-OE1 3.39Å; R1224-E1431 PolarHBondContact NH2-OE1 2.96Å; R1224-E1431 IonicContact NH2-OE2 2.74Å |
| 1225 | I | 82.8 | Confident | 79.5 | Confident | 3 Ų | 3 | 55.3 Ų | 55.3 | 2% | 0.015 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 131.8 | 179.1 | -57.3 | 143.4 | 0 | 0 | 0 | 107.4 | G1175 F1176 V1178 V1199 I1201 F1223 L1228 | G1175-I1225 CarbonylContact C-O 3.59Å; G1175-I1225 WeakPolarHBondContact CA-O 3.48Å; F1176-I1225 HydrophobicContact CD2-CD1 3.88Å; F1176-I1225 HydrophobicContact CE2-CD1 3.25Å; F1176-I1225 HydrophobicContact CZ-CD1 3.77Å; F1176-I1225 PolarHBondContact N-O 2.87Å; F1176-I1225 PolarHBondContact O-N 2.79Å; V1178-I1225 HydrophobicContact CB-CD1 4.49Å; V1178-I1225 HydrophobicContact CG1-CD1 3.72Å; V1199-I1225 HydrophobicContact CG1-CD1 4.33Å; I1201-I1225 HydrophobicContact CD1-CB 4.11Å; I1201-I1225 HydrophobicContact CD1-CD1 3.29Å; I1201-I1225 HydrophobicContact CD1-CG1 3.56Å; I1201-I1225 HydrophobicContact CD1-CG2 3.52Å; I1201-I1225 HydrophobicContact CG1-CD1 4.3Å; F1223-I1225 HydrophobicContact CD1-CG1 3.65Å; F1223-I1225 HydrophobicContact CE1-CG1 3.97Å; I1225-L1228 HydrophobicContact CG2-CD1 3.79Å; I1225-L1228 HydrophobicContact CG2-CD2 3.81Å; I1225-L1228 HydrophobicContact CG2-CG 3.8Å |
| 1226 | F | 78 | Confident | 79.8 | Confident | 149 Ų | 149 | 51.7 Ų | 51.7 | 65% | 0.654 | 28% | 0.284 | S | S | * | . | trans | -133.8 | 166.6 | 179.7 | 52.8 | -88.4 | 0 | 0 | 0 | 110.1 | Y1174 | Y1174-F1226 CarbonylContact O-C 3.4Å; Y1174-F1226 VanDerWaalsContact O-C 3.27Å; Y1174-F1226 WeakPolarHBondContact O-CA 3.38Å | ||
| 1227 | S | 77.9 | Confident | 80.2 | Confident | 103 Ų | 103 | 51 Ų | 51 | 72% | 0.72 | 28% | 0.278 | S | S | * | . | S | Bend | trans | 65.7 | 31.5 | -177.1 | -53.2 | 0 | 0 | 0 | 0 | 115.6 | Y1174 | Y1174-S1227 PolarHBondContact O-N 2.85Š|
| 1228 | L | 81 | Confident | 80.8 | Confident | 16 Ų | 16 | 50 Ų | 50 | 8% | 0.084 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -79.9 | 159 | 169.2 | -60.4 | -177.1 | 0 | 0 | 0 | 111.5 | Y1174 F1176 I1225 Y1234 T1258 | Y1174-L1228 PolarHBondContact O-N 2.85Å; F1176-L1228 HydrophobicContact CD1-CD1 3.77Å; F1176-L1228 HydrophobicContact CE1-CD1 3.19Å; F1176-L1228 HydrophobicContact CZ-CD1 3.92Å; I1225-L1228 HydrophobicContact CG2-CD1 3.79Å; I1225-L1228 HydrophobicContact CG2-CD2 3.81Å; I1225-L1228 HydrophobicContact CG2-CG 3.8Å; L1228-Y1234 HydrophobicContact CB-CE2 3.81Å; L1228-Y1234 HydrophobicContact CD1-CD2 4.05Å; L1228-Y1234 HydrophobicContact CD1-CE2 3.99Å; L1228-Y1234 HydrophobicContact CD1-CG 4.47Å; L1228-Y1234 HydrophobicContact CD2-CE1 4.02Å; L1228-Y1234 HydrophobicContact CD2-CE2 4.4Å; L1228-Y1234 HydrophobicContact CG-CE2 4.29Å; L1228-T1258 HydrophobicContact CB-CG2 3.96Å; L1228-T1258 HydrophobicContact CD1-CG2 3.95Å |
| 1229 | S | 77.9 | Confident | 81.3 | Confident | 65 Ų | 65 | 47.5 Ų | 47.5 | 46% | 0.455 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 133.7 | 173.6 | -63.3 | 0 | 0 | 0 | 0 | 109.9 | T1232 Y1234 T1258 | S1229-T1232 VanDerWaalsContact CB-OG1 3.3Å; S1229-T1232 WeakPolarHBondContact CB-OG1 3.36Å; S1229-T1232 WeakPolarHBondContact O-CB 3.39Å; S1229-T1232 PolarHBondContact O-OG1 2.91Å; S1229-Y1234 WeakPolarHBondContact CB-OH 3.49Å; S1229-Y1234 PolarHBondContact N-OH 2.95Å; S1229-T1258 PolarHBondContact O-OG1 3.4Å |
| 1230 | P | 73.7 | Confident | 81.7 | Confident | 41 Ų | 41 | 45.5 Ų | 45.5 | 27% | 0.266 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 155 | 170.5 | -23.2 | 33.6 | 0 | 0 | 0 | 112 | I1173 Y1174 T1232 E1261 | I1173-P1230 WeakPolarHBondContact O-CA 3.38Å; Y1174-P1230 HydrophobicContact CD1-CG 3.91Å; Y1174-P1230 HydrophobicContact CE1-CG 3.53Å; P1230-T1232 PolarHBondContact O-N 2.84Å; P1230-T1232 VanDerWaalsContact O-N 3.15Å; P1230-T1232 PolarHBondContact O-OG1 2.91Å; P1230-E1261 HydrophobicContact CB-CG 4.07Å; P1230-E1261 HydrophobicContact CG-CG 3.95Å |
| 1231 | D | 77.4 | Confident | 81.7 | Confident | 91 Ų | 91 | 46.1 Ų | 46.1 | 49% | 0.487 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52 | 36.8 | 174.9 | -148.2 | 23.6 | 0 | 0 | 0 | 114.2 | H1257 T1258 Y1259 S1260 | D1231-H1257 VanDerWaalsContact C-NE2 3.35Å; D1231-H1257 IonicContact OD1-CE1 2.76Å; D1231-H1257 PolarHBondContact OD1-CE1 3.09Å; D1231-H1257 IonicContact OD1-NE2 3.89Å; D1231-H1257 PolarHBondContact OD1-NE2 2.86Å; D1231-T1258 PolarHBondContact N-O 3.49Å; D1231-T1258 PolarHBondContact N-OG1 3.47Å; D1231-Y1259 PolarHBondContact N-O 3.09Å; D1231-S1260 VanDerWaalsContact CG-CB 3.45Å; D1231-S1260 WeakPolarHBondContact OD1-CB 3.34Å; D1231-S1260 PolarHBondContact OD2-OG 2.84Å |
| 1232 | T | 77.9 | Confident | 81 | Confident | 33 Ų | 33 | 43.4 Ų | 43.4 | 20% | 0.202 | 23% | 0.226 | C | C | . | . | trans | -125.2 | 129.7 | -172.5 | -58.8 | 0 | 0 | 0 | 0 | 110.3 | P1203 S1229 P1230 Y1234 T1258 | P1203-T1232 HydrophobicContact CB-CG2 4.17Å; S1229-T1232 VanDerWaalsContact CB-OG1 3.3Å; S1229-T1232 WeakPolarHBondContact CB-OG1 3.36Å; S1229-T1232 WeakPolarHBondContact O-CB 3.39Å; S1229-T1232 PolarHBondContact O-OG1 2.91Å; P1230-T1232 PolarHBondContact O-N 2.84Å; P1230-T1232 VanDerWaalsContact O-N 3.15Å; P1230-T1232 PolarHBondContact O-OG1 2.91Å; T1232-Y1234 HydrophobicContact CG2-CD2 4.25Å; T1232-Y1234 HydrophobicContact CG2-CE1 4.43Å; T1232-Y1234 HydrophobicContact CG2-CE2 3.67Å; T1232-Y1234 VanDerWaalsContact O-CD2 3.25Å; T1232-Y1234 WeakPolarHBondContact O-CD2 3.37Å; T1232-T1258 PolarHBondContact N-OG1 3.05Å; T1232-T1258 VanDerWaalsContact N-OG1 3.08Å; T1232-T1258 PolarHBondContact O-N 2.84Å; T1232-T1258 PolarHBondContact O-OG1 3.15Å | ||
| 1233 | W | 82 | Confident | 80.1 | Confident | 115 Ų | 115 | 45.4 Ų | 45.4 | 44% | 0.436 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 127.4 | 173.2 | -76.2 | 89.8 | 0 | 0 | 0 | 110.8 | P1203 L1204 F1255 V1256 H1257 | P1203-W1233 WeakPolarHBondContact CA-O 3.2Å; L1204-W1233 HydrophobicContact CB-CB 4.08Å; L1204-W1233 HydrophobicContact CD1-CB 3.59Å; L1204-W1233 HydrophobicContact CD1-CG 4.47Å; L1204-W1233 HydrophobicContact CG-CB 4.46Å; L1204-W1233 PolarHBondContact N-O 2.9Å; W1233-F1255 HydrophobicContact CE3-CB 4.24Å; W1233-F1255 HydrophobicContact CZ3-CB 4.24Å; W1233-V1256 WeakPolarHBondContact CA-O 3.25Å; W1233-H1257 AromaticContact CD1-CD2 3.25Å; W1233-H1257 AromaticContact CD1-NE2 3.67Å; W1233-H1257 HydrophobicContact CD2-CB 3.81Å; W1233-H1257 AromaticContact CD2-CD2 3.84Å; W1233-H1257 AromaticContact CE2-CD2 3.67Å; W1233-H1257 AromaticContact CE2-CG 3.69Å; W1233-H1257 HydrophobicContact CE3-CB 3.96Å; W1233-H1257 HydrophobicContact CG-CB 4.42Å; W1233-H1257 AromaticContact CG-CD2 3.6Å; W1233-H1257 HydrophobicContact CH2-CB 4.01Å; W1233-H1257 HydrophobicContact CZ2-CB 3.84Å; W1233-H1257 HydrophobicContact CZ3-CB 4.06Å; W1233-H1257 AromaticContact NE1-CD2 3.27Å; W1233-H1257 PolarHBondContact NE1-CD2 2.94Å; W1233-H1257 VanDerWaalsContact NE1-CD2 3.27Å; W1233-H1257 AromaticContact NE1-CG 3.7Å; W1233-H1257 AromaticContact NE1-NE2 3.6Å |
| 1234 | Y | 84.5 | Confident | 78.9 | Confident | 13 Ų | 13 | 47.5 Ų | 47.5 | 5% | 0.051 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 143.3 | 176 | -69.2 | -85.5 | 0 | 0 | 0 | 110.8 | I1201 K1202 P1203 L1228 S1229 T1232 F1255 V1256 T1258 | I1201-Y1234 HydrophobicContact CG2-CD1 3.47Å; I1201-Y1234 VanDerWaalsContact CG2-CD1 3.47Å; I1201-Y1234 HydrophobicContact CG2-CE1 4.22Å; I1201-Y1234 HydrophobicContact CG2-CG 4.08Å; K1202-Y1234 CarbonylContact O-C 3.59Å; K1202-Y1234 WeakPolarHBondContact O-CA 3.31Å; P1203-Y1234 HydrophobicContact CB-CD1 4.03Å; P1203-Y1234 HydrophobicContact CB-CE1 3.75Å; P1203-Y1234 HydrophobicContact CG-CE1 4.35Å; L1228-Y1234 HydrophobicContact CB-CE2 3.81Å; L1228-Y1234 HydrophobicContact CD1-CD2 4.05Å; L1228-Y1234 HydrophobicContact CD1-CE2 3.99Å; L1228-Y1234 HydrophobicContact CD1-CG 4.47Å; L1228-Y1234 HydrophobicContact CD2-CE1 4.02Å; L1228-Y1234 HydrophobicContact CD2-CE2 4.4Å; L1228-Y1234 HydrophobicContact CG-CE2 4.29Å; S1229-Y1234 WeakPolarHBondContact CB-OH 3.49Å; S1229-Y1234 PolarHBondContact N-OH 2.95Å; T1232-Y1234 HydrophobicContact CG2-CD2 4.25Å; T1232-Y1234 HydrophobicContact CG2-CE1 4.43Å; T1232-Y1234 HydrophobicContact CG2-CE2 3.67Å; T1232-Y1234 VanDerWaalsContact O-CD2 3.25Å; T1232-Y1234 WeakPolarHBondContact O-CD2 3.37Å; Y1234-F1255 WeakPolarHBondContact O-CA 3.43Å; Y1234-V1256 PolarHBondContact N-O 3.02Å; Y1234-V1256 PolarHBondContact O-N 3.48Å; Y1234-T1258 HydrophobicContact CD2-CG2 4.17Å; Y1234-T1258 HydrophobicContact CE2-CG2 4.03Å |
| 1235 | S | 86.6 | Confident | 77.9 | Confident | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.014 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 133.1 | 165 | 160.2 | 0 | 0 | 0 | 0 | 109.4 | I1201 K1202 E1253 I1254 | I1201-S1235 WeakPolarHBondContact CA-O 3.4Å; K1202-S1235 VanDerWaalsContact CE-CB 3.43Å; K1202-S1235 VanDerWaalsContact CE-OG 3.26Å; K1202-S1235 WeakPolarHBondContact CE-OG 3.45Å; K1202-S1235 PolarHBondContact N-O 2.94Å; K1202-S1235 PolarHBondContact O-N 2.86Å; S1235-E1253 WeakPolarHBondContact OG-CB 2.79Å; S1235-E1253 WeakPolarHBondContact OG-CG 3.11Å; S1235-E1253 PolarHBondContact OG-OE2 3.42Å; S1235-I1254 WeakPolarHBondContact CA-O 3.4Å |
| 1236 | V | 87.9 | Confident | 76.8 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 130.6 | -173 | -173.3 | 0 | 0 | 0 | 0 | 109.6 | F1176 V1178 V1199 F1200 I1201 E1253 I1254 V1256 | F1176-V1236 HydrophobicContact CE2-CG2 3.7Å; F1176-V1236 HydrophobicContact CZ-CG2 3.54Å; V1178-V1236 HydrophobicContact CB-CG1 4.38Å; V1178-V1236 HydrophobicContact CG1-CG1 4.3Å; V1178-V1236 HydrophobicContact CG2-CG1 4.14Å; V1199-V1236 HydrophobicContact CG1-CG1 3.83Å; F1200-V1236 WeakPolarHBondContact O-CA 3.16Å; I1201-V1236 HydrophobicContact CG1-CG1 4.44Å; I1201-V1236 HydrophobicContact CG1-CG2 4.43Å; V1236-E1253 WeakPolarHBondContact O-CA 3.43Å; V1236-I1254 HydrophobicContact CB-CG2 3.9Å; V1236-I1254 PolarHBondContact N-O 3.47Å; V1236-I1254 PolarHBondContact O-N 3.04Å; V1236-V1256 HydrophobicContact CG2-CG1 3.91Å |
| 1237 | S | 88.1 | Confident | 76.3 | Confident | 5 Ų | 5 | 54.2 Ų | 54.2 | 4% | 0.035 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 153.2 | 171.5 | 52.2 | 0 | 0 | 0 | 0 | 110.7 | F1200 | F1200-S1237 PolarHBondContact N-O 2.82Å; F1200-S1237 PolarHBondContact O-N 3.02Å |
| 1238 | V | 86.2 | Confident | 75.9 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 141.7 | -178.3 | -170.9 | 0 | 0 | 0 | 0 | 109.9 | P1163 L1166 W1180 Y1197 Y1198 V1199 S1251 | P1163-V1238 HydrophobicContact CB-CB 4.31Å; P1163-V1238 HydrophobicContact CB-CG1 4.34Å; P1163-V1238 HydrophobicContact CG-CB 4.19Å; P1163-V1238 HydrophobicContact CG-CG1 3.95Å; L1166-V1238 HydrophobicContact CD2-CG2 3.9Å; L1166-V1238 HydrophobicContact CG-CG2 4.42Å; W1180-V1238 HydrophobicContact CD2-CG1 3.94Å; W1180-V1238 HydrophobicContact CD2-CG2 4.16Å; W1180-V1238 HydrophobicContact CE3-CG1 4.31Å; W1180-V1238 HydrophobicContact CE3-CG2 3.87Å; W1180-V1238 HydrophobicContact CG-CG1 4.32Å; W1180-V1238 HydrophobicContact CZ2-CG1 4.22Å; W1180-V1238 HydrophobicContact CZ3-CG2 4.33Å; Y1197-V1238 HydrophobicContact CD1-CG1 4.19Å; Y1198-V1238 WeakPolarHBondContact O-CA 3.5Å; V1199-V1238 HydrophobicContact CG2-CG1 4.47Å; V1199-V1238 HydrophobicContact CG2-CG2 4.19Å; V1238-S1251 PolarHBondContact N-OG 3.01Å; V1238-S1251 WeakPolarHBondContact O-CB 3.43Å; V1238-S1251 PolarHBondContact O-N 3.26Å; V1238-S1251 PolarHBondContact O-OG 2.9Å |
| 1239 | Q | 85.2 | Confident | 75.5 | Confident | 30 Ų | 30 | 54.4 Ų | 54.4 | 14% | 0.14 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 143.7 | 178 | -165.4 | 174.4 | 32.1 | 0 | 0 | 109.3 | Y1197 Y1198 F1200 I1247 S1248 K1250 | Y1197-Q1239 WeakPolarHBondContact CA-O 3.44Å; Y1198-Q1239 PolarHBondContact N-O 3Å; Y1198-Q1239 PolarHBondContact O-N 3.04Å; F1200-Q1239 HydrophobicContact CD2-CB 4.37Å; F1200-Q1239 HydrophobicContact CE2-CB 3.68Å; Q1239-I1247 VanDerWaalsContact CD-CG2 3.49Å; Q1239-I1247 HydrophobicContact CG-CG2 4.04Å; Q1239-S1248 VanDerWaalsContact CG-O 3.31Å; Q1239-S1248 WeakPolarHBondContact CG-O 3.38Å; Q1239-S1248 PolarHBondContact NE2-O 3.47Å; Q1239-K1250 HydrophobicContact CB-CG 4.28Å; Q1239-K1250 HydrophobicContact CG-CG 4.39Å |
| 1240 | C | 78.1 | Confident | 75.5 | Confident | 3 Ų | 3 | 55.4 Ų | 55.4 | 2% | 0.02 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 147.2 | 173.7 | 69.1 | 0 | 0 | 0 | 0 | 111.5 | P1163 Y1196 Y1197 S1248 | P1163-C1240 HydrophobicContact CG-CB 4.39Å; Y1196-C1240 CarbonylContact O-C 3.5Å; Y1196-C1240 WeakPolarHBondContact O-CA 3.47Å; Y1197-C1240 HydrophobicContact CD1-CB 3.85Å; Y1197-C1240 HydrophobicContact CE1-CB 3.65Å; C1240-S1248 PolarHBondContact N-OG 3.25Å; C1240-S1248 PolarHBondContact O-N 2.57Å; C1240-S1248 PolarHBondContact O-OG 3.45Å; C1240-S1248 VanDerWaalsContact SG-CB 3.52Å; C1240-S1248 PolarHBondContact SG-OG 3.13Å |
| 1241 | I | 76 | Confident | 75.9 | Confident | 27 Ų | 27 | 53.9 Ų | 53.9 | 14% | 0.138 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 128.8 | 172.3 | -52.9 | -173 | 0 | 0 | 0 | 107.6 | N1195 Y1196 Y1198 H1246 I1247 | N1195-I1241 CarbonylContact C-O 3.59Å; N1195-I1241 WeakPolarHBondContact CA-O 3.35Å; Y1196-I1241 PolarHBondContact N-O 3.16Å; Y1196-I1241 PolarHBondContact O-N 3.39Å; Y1198-I1241 HydrophobicContact CD2-CD1 3.8Å; Y1198-I1241 HydrophobicContact CD2-CG1 4.06Å; Y1198-I1241 HydrophobicContact CE2-CD1 3.47Å; Y1198-I1241 VanDerWaalsContact CE2-CD1 3.47Å; Y1198-I1241 HydrophobicContact CE2-CG1 4.02Å; I1241-H1246 WeakPolarHBondContact CA-O 3.37Å; I1241-I1247 HydrophobicContact CD1-CG1 4.07Å; I1241-I1247 HydrophobicContact CG1-CG1 4.12Å; I1241-I1247 HydrophobicContact CG1-CG2 4.37Å; I1241-I1247 HydrophobicContact CG2-CG1 4.35Å |
| 1242 | D | 67.1 | Low | 75.8 | Confident | 15 Ų | 15 | 58 Ų | 58 | 8% | 0.08 | 28% | 0.28 | C | S | . | . | trans | -77.4 | 170.5 | 176 | 75.9 | 13.6 | 0 | 0 | 0 | 112.9 | I1160 N1195 T1244 Y1245 H1246 | I1160-D1242 HydrophobicContact CD1-CB 3.62Å; I1160-D1242 WeakPolarHBondContact CD1-OD2 3.44Å; N1195-D1242 WeakPolarHBondContact OD1-CA 3.06Å; D1242-T1244 PolarHBondContact O-N 3.31Å; D1242-T1244 WeakPolarHBondContact OD1-CA 3.41Å; D1242-T1244 WeakPolarHBondContact OD1-CB 3.42Å; D1242-T1244 PolarHBondContact OD1-N 2.74Å; D1242-T1244 PolarHBondContact OD1-OG1 3.1Å; D1242-T1244 PolarHBondContact OD2-OG1 2.97Å; D1242-Y1245 PolarHBondContact O-N 2.78Å; D1242-Y1245 VanDerWaalsContact O-N 3.08Å; D1242-Y1245 PolarHBondContact OD1-N 2.88Å; D1242-H1246 PolarHBondContact N-O 3.35Å; D1242-H1246 VanDerWaalsContact N-O 3.1Å; D1242-H1246 IonicContact OD1-CG 3.05Å; D1242-H1246 PolarHBondContact OD1-N 2.85Å; D1242-H1246 IonicContact OD1-ND1 3.38Å; D1242-H1246 IonicContact OD2-CG 3.74Å; D1242-H1246 IonicContact OD2-ND1 3.31Å; D1242-H1246 PolarHBondContact OD2-ND1 2.86Å | ||
| 1243 | T | 64.6 | Low | 76 | Confident | 92 Ų | 92 | 60.2 Ų | 60.2 | 56% | 0.564 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -6.5 | 177 | 49.4 | 0 | 0 | 0 | 0 | 114.6 | N1194 | N1194-T1243 HydrophobicContact CB-CG2 3.27Å; N1194-T1243 WeakPolarHBondContact O-CG2 3.41Å |
| 1244 | T | 61.3 | Low | 76.1 | Confident | 86 Ų | 86 | 57 Ų | 57 | 53% | 0.528 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | 16.6 | 176.8 | 40.1 | 0 | 0 | 0 | 0 | 113.2 | D1242 H1246 | D1242-T1244 PolarHBondContact O-N 3.31Å; D1242-T1244 WeakPolarHBondContact OD1-CA 3.41Å; D1242-T1244 WeakPolarHBondContact OD1-CB 3.42Å; D1242-T1244 PolarHBondContact OD1-N 2.74Å; D1242-T1244 PolarHBondContact OD1-OG1 3.1Å; D1242-T1244 PolarHBondContact OD2-OG1 2.97Å; T1244-H1246 VanDerWaalsContact C-N 3.26Å; T1244-H1246 PolarHBondContact O-N 3.27Å; T1244-H1246 PolarHBondContact OG1-ND1 3.41Å; T1244-H1246 VanDerWaalsContact OG1-ND1 3.14Å |
| 1245 | Y | 61 | Low | 76.2 | Confident | 206 Ų | 206 | 61.7 Ų | 61.7 | 81% | 0.808 | 30% | 0.3 | S | S | * | . | trans | 63.9 | 20 | 179 | -67.4 | -86.1 | 0 | 0 | 0 | 115.4 | D1242 | D1242-Y1245 PolarHBondContact O-N 2.78Å; D1242-Y1245 VanDerWaalsContact O-N 3.08Å; D1242-Y1245 PolarHBondContact OD1-N 2.88Å | ||
| 1246 | H | 60.3 | Low | 76 | Confident | 103 Ų | 103 | 62 Ų | 62 | 48% | 0.477 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -82.3 | 125.3 | 170.1 | -59 | 97.7 | 0 | 0 | 0 | 110.2 | I1160 I1241 D1242 T1244 | I1160-H1246 HydrophobicContact CD1-CB 4.34Å; I1241-H1246 WeakPolarHBondContact CA-O 3.37Å; D1242-H1246 PolarHBondContact N-O 3.35Å; D1242-H1246 VanDerWaalsContact N-O 3.1Å; D1242-H1246 IonicContact OD1-CG 3.05Å; D1242-H1246 PolarHBondContact OD1-N 2.85Å; D1242-H1246 IonicContact OD1-ND1 3.38Å; D1242-H1246 IonicContact OD2-CG 3.74Å; D1242-H1246 IonicContact OD2-ND1 3.31Å; D1242-H1246 PolarHBondContact OD2-ND1 2.86Å; T1244-H1246 VanDerWaalsContact C-N 3.26Å; T1244-H1246 PolarHBondContact O-N 3.27Å; T1244-H1246 PolarHBondContact OG1-ND1 3.41Å; T1244-H1246 VanDerWaalsContact OG1-ND1 3.14Å |
| 1247 | I | 67.2 | Low | 75.7 | Confident | 93 Ų | 93 | 64.6 Ų | 64.6 | 48% | 0.477 | 31% | 0.313 | S | S | . | . | B | Isolated β-bridge | trans | -99.9 | 127.9 | -171.9 | -55.4 | 174 | 0 | 0 | 0 | 109.4 | Q1239 I1241 | Q1239-I1247 VanDerWaalsContact CD-CG2 3.49Å; Q1239-I1247 HydrophobicContact CG-CG2 4.04Å; I1241-I1247 HydrophobicContact CD1-CG1 4.07Å; I1241-I1247 HydrophobicContact CG1-CG1 4.12Å; I1241-I1247 HydrophobicContact CG1-CG2 4.37Å; I1241-I1247 HydrophobicContact CG2-CG1 4.35Å |
| 1248 | S | 70.8 | Confident | 75.2 | Confident | 3 Ų | 3 | 64.3 Ų | 64.3 | 2% | 0.021 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 163.7 | 171.8 | 75.8 | 0 | 0 | 0 | 0 | 111.6 | Q1239 C1240 | Q1239-S1248 VanDerWaalsContact CG-O 3.31Å; Q1239-S1248 WeakPolarHBondContact CG-O 3.38Å; Q1239-S1248 PolarHBondContact NE2-O 3.47Å; C1240-S1248 PolarHBondContact N-OG 3.25Å; C1240-S1248 PolarHBondContact O-N 2.57Å; C1240-S1248 PolarHBondContact O-OG 3.45Å; C1240-S1248 VanDerWaalsContact SG-CB 3.52Å; C1240-S1248 PolarHBondContact SG-OG 3.13Å |
| 1249 | I | 71.8 | Confident | 74.2 | Confident | 120 Ų | 120 | 69.3 Ų | 69.3 | 62% | 0.615 | 33% | 0.331 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 159.2 | 158.4 | 54.3 | 169.7 | 0 | 0 | 0 | 109.9 | P1162 | P1162-I1249 HydrophobicContact CB-CG1 4Å; P1162-I1249 WeakPolarHBondContact CB-O 3.33Å; P1162-I1249 HydrophobicContact CG-CD1 3.94Å; P1162-I1249 HydrophobicContact CG-CG1 3.74Å |
| 1250 | K | 77.1 | Confident | 73.1 | Confident | 85 Ų | 85 | 68.6 Ų | 68.6 | 37% | 0.37 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -70.4 | 148.9 | 173.2 | -64.3 | -174.9 | 178.8 | -173.2 | 0 | 109.7 | F1200 Q1239 | F1200-K1250 VanDerWaalsContact CD1-NZ 3.29Å; F1200-K1250 HydrophobicContact CD2-CD 4.1Å; F1200-K1250 HydrophobicContact CD2-CG 4.47Å; F1200-K1250 HydrophobicContact CE2-CD 4.37Å; F1200-K1250 HydrophobicContact CE2-CG 4.48Å; F1200-K1250 HydrophobicContact CG-CD 4.36Å; Q1239-K1250 HydrophobicContact CB-CG 4.28Å; Q1239-K1250 HydrophobicContact CG-CG 4.39Å |
| 1251 | S | 82 | Confident | 71.9 | Confident | 10 Ų | 10 | 73.1 Ų | 73.1 | 7% | 0.07 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 165.4 | 170.8 | 71.8 | 0 | 0 | 0 | 0 | 111.9 | P1163 L1166 V1238 | P1163-S1251 WeakPolarHBondContact O-CB 3.29Å; L1166-S1251 VanDerWaalsContact CD2-OG 3.31Å; L1166-S1251 WeakPolarHBondContact CD2-OG 3.48Å; V1238-S1251 PolarHBondContact N-OG 3.01Å; V1238-S1251 WeakPolarHBondContact O-CB 3.43Å; V1238-S1251 PolarHBondContact O-N 3.26Å; V1238-S1251 PolarHBondContact O-OG 2.9Å |
| 1252 | E | 76.7 | Confident | 70.8 | Confident | 178 Ų | 178 | 75.4 Ų | 75.4 | 83% | 0.832 | 37% | 0.366 | S | S | * | . | P | Polyproline II helix | trans | -53 | 142.8 | 164.3 | -72.5 | -67.9 | 149.9 | 0 | 0 | 110.4 | ||
| 1253 | E | 82.2 | Confident | 69.7 | Low | 78 Ų | 78 | 77.7 Ų | 77.7 | 36% | 0.364 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -78.4 | 125.8 | -178.8 | -72.5 | -173.8 | 171.7 | 0 | 0 | 110.7 | K1202 S1235 V1236 | K1202-E1253 WeakPolarHBondContact CE-OE1 3.41Å; K1202-E1253 WeakPolarHBondContact CE-OE2 3.24Å; K1202-E1253 IonicContact NZ-OE1 3.96Å; K1202-E1253 PolarHBondContact NZ-OE1 2.85Å; K1202-E1253 IonicContact NZ-OE2 3.16Å; K1202-E1253 PolarHBondContact NZ-OE2 2.76Å; S1235-E1253 WeakPolarHBondContact OG-CB 2.79Å; S1235-E1253 WeakPolarHBondContact OG-CG 3.11Å; S1235-E1253 PolarHBondContact OG-OE2 3.42Å; V1236-E1253 WeakPolarHBondContact O-CA 3.43Å |
| 1254 | I | 83.8 | Confident | 69 | Low | 49 Ų | 49 | 75.8 Ų | 75.8 | 25% | 0.251 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 139.6 | 169.3 | -170 | 163.8 | 0 | 0 | 0 | 110.1 | L1166 I1168 S1235 V1236 | L1166-I1254 HydrophobicContact CB-CG2 4.2Å; L1166-I1254 HydrophobicContact CD2-CG2 4.09Å; L1166-I1254 WeakPolarHBondContact O-CD1 3.33Å; I1168-I1254 HydrophobicContact CD1-CD1 4.32Å; I1168-I1254 HydrophobicContact CD1-CG1 4.29Å; I1168-I1254 HydrophobicContact CD1-CG2 3.86Å; I1168-I1254 HydrophobicContact CG1-CD1 4.26Å; I1168-I1254 HydrophobicContact CG1-CG2 4.4Å; S1235-I1254 WeakPolarHBondContact CA-O 3.4Å; V1236-I1254 HydrophobicContact CB-CG2 3.9Å; V1236-I1254 PolarHBondContact N-O 3.47Å; V1236-I1254 PolarHBondContact O-N 3.04Å |
| 1255 | F | 86 | Confident | 68.3 | Low | 111 Ų | 111 | 78.5 Ų | 78.5 | 49% | 0.487 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 134.4 | 179.7 | -59.3 | -76.7 | 0 | 0 | 0 | 111 | L1204 W1233 Y1234 | L1204-F1255 HydrophobicContact CD1-CD1 3.46Å; L1204-F1255 VanDerWaalsContact CD1-CD1 3.46Å; L1204-F1255 HydrophobicContact CD1-CE1 3.84Å; L1204-F1255 HydrophobicContact CD1-CG 4.47Å; L1204-F1255 HydrophobicContact CD2-CE1 4.07Å; L1204-F1255 HydrophobicContact CG-CD1 4.31Å; L1204-F1255 HydrophobicContact CG-CE1 4.27Å; W1233-F1255 HydrophobicContact CE3-CB 4.24Å; W1233-F1255 HydrophobicContact CZ3-CB 4.24Å; Y1234-F1255 WeakPolarHBondContact O-CA 3.43Å |
| 1256 | V | 83.7 | Confident | 67.7 | Low | 7 Ų | 7 | 73.9 Ų | 73.9 | 4% | 0.042 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 139.3 | 178.8 | 52.7 | 0 | 0 | 0 | 0 | 110.4 | I1168 I1171 F1176 W1233 Y1234 V1236 | I1168-V1256 HydrophobicContact CD1-CB 3.49Å; I1168-V1256 VanDerWaalsContact CD1-CB 3.49Å; I1168-V1256 HydrophobicContact CD1-CG1 3.67Å; I1168-V1256 HydrophobicContact CD1-CG2 4.05Å; I1168-V1256 HydrophobicContact CG2-CG2 4.03Å; I1171-V1256 HydrophobicContact CD1-CG2 4.05Å; I1171-V1256 HydrophobicContact CG1-CG2 4.27Å; F1176-V1256 HydrophobicContact CB-CG2 4.41Å; F1176-V1256 HydrophobicContact CD1-CB 4.41Å; F1176-V1256 HydrophobicContact CD1-CG1 3.78Å; F1176-V1256 HydrophobicContact CD1-CG2 3.7Å; F1176-V1256 HydrophobicContact CD2-CG1 4.18Å; F1176-V1256 HydrophobicContact CD2-CG2 4.45Å; F1176-V1256 HydrophobicContact CE1-CB 4.31Å; F1176-V1256 HydrophobicContact CE1-CG1 3.26Å; F1176-V1256 HydrophobicContact CE1-CG2 4.07Å; F1176-V1256 HydrophobicContact CE2-CG1 3.72Å; F1176-V1256 HydrophobicContact CG-CG1 4.23Å; F1176-V1256 HydrophobicContact CG-CG2 3.93Å; F1176-V1256 HydrophobicContact CZ-CG1 3.25Å; W1233-V1256 WeakPolarHBondContact CA-O 3.25Å; Y1234-V1256 PolarHBondContact N-O 3.02Å; Y1234-V1256 PolarHBondContact O-N 3.48Å; V1236-V1256 HydrophobicContact CG2-CG1 3.91Å |
| 1257 | H | 81.1 | Confident | 67 | Low | 55 Ų | 55 | 71.5 Ų | 71.5 | 26% | 0.255 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 118.9 | 175 | -167.2 | -132.9 | 0 | 0 | 0 | 108.7 | D1231 W1233 | D1231-H1257 VanDerWaalsContact C-NE2 3.35Å; D1231-H1257 IonicContact OD1-CE1 2.76Å; D1231-H1257 PolarHBondContact OD1-CE1 3.09Å; D1231-H1257 IonicContact OD1-NE2 3.89Å; D1231-H1257 PolarHBondContact OD1-NE2 2.86Å; W1233-H1257 AromaticContact CD1-CD2 3.25Å; W1233-H1257 AromaticContact CD1-NE2 3.67Å; W1233-H1257 HydrophobicContact CD2-CB 3.81Å; W1233-H1257 AromaticContact CD2-CD2 3.84Å; W1233-H1257 AromaticContact CE2-CD2 3.67Å; W1233-H1257 AromaticContact CE2-CG 3.69Å; W1233-H1257 HydrophobicContact CE3-CB 3.96Å; W1233-H1257 HydrophobicContact CG-CB 4.42Å; W1233-H1257 AromaticContact CG-CD2 3.6Å; W1233-H1257 HydrophobicContact CH2-CB 4.01Å; W1233-H1257 HydrophobicContact CZ2-CB 3.84Å; W1233-H1257 HydrophobicContact CZ3-CB 4.06Å; W1233-H1257 AromaticContact NE1-CD2 3.27Å; W1233-H1257 PolarHBondContact NE1-CD2 2.94Å; W1233-H1257 VanDerWaalsContact NE1-CD2 3.27Å; W1233-H1257 AromaticContact NE1-CG 3.7Å; W1233-H1257 AromaticContact NE1-NE2 3.6Å |
| 1258 | T | 78 | Confident | 66.2 | Low | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 143.2 | 167.6 | 47 | 0 | 0 | 0 | 0 | 108.6 | F1176 L1228 S1229 D1231 T1232 Y1234 S1260 | F1176-T1258 HydrophobicContact CD1-CG2 4.27Å; F1176-T1258 HydrophobicContact CE1-CG2 4.49Å; L1228-T1258 HydrophobicContact CB-CG2 3.96Å; L1228-T1258 HydrophobicContact CD1-CG2 3.95Å; S1229-T1258 PolarHBondContact O-OG1 3.4Å; D1231-T1258 PolarHBondContact N-O 3.49Å; D1231-T1258 PolarHBondContact N-OG1 3.47Å; T1232-T1258 PolarHBondContact N-OG1 3.05Å; T1232-T1258 VanDerWaalsContact N-OG1 3.08Å; T1232-T1258 PolarHBondContact O-N 2.84Å; T1232-T1258 PolarHBondContact O-OG1 3.15Å; Y1234-T1258 HydrophobicContact CD2-CG2 4.17Å; Y1234-T1258 HydrophobicContact CE2-CG2 4.03Å; T1258-S1260 PolarHBondContact O-N 2.87Å |
| 1259 | Y | 65.2 | Low | 65.2 | Low | 104 Ų | 104 | 69.5 Ų | 69.5 | 41% | 0.408 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 142.3 | 178.8 | -68.2 | -45.8 | 0 | 0 | 0 | 110.2 | I1171 N1172 D1231 V1263 | I1171-Y1259 HydrophobicContact CB-CE2 4.19Å; I1171-Y1259 HydrophobicContact CG2-CD2 4.25Å; I1171-Y1259 HydrophobicContact CG2-CE2 4.08Å; I1171-Y1259 WeakPolarHBondContact O-CE2 3.39Å; N1172-Y1259 PolarHBondContact O-N 2.9Å; D1231-Y1259 PolarHBondContact N-O 3.09Å; Y1259-V1263 HydrophobicContact CD1-CG1 4.35Å |
| 1260 | S | 60.2 | Low | 64.1 | Low | 15 Ų | 15 | 69.8 Ų | 69.8 | 11% | 0.105 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 144.4 | 168.4 | -163.2 | 0 | 0 | 0 | 0 | 109.3 | D1231 T1258 T1262 V1263 | D1231-S1260 VanDerWaalsContact CG-CB 3.45Å; D1231-S1260 WeakPolarHBondContact OD1-CB 3.34Å; D1231-S1260 PolarHBondContact OD2-OG 2.84Å; T1258-S1260 PolarHBondContact O-N 2.87Å; S1260-T1262 WeakPolarHBondContact CB-OG1 3.22Å; S1260-T1262 PolarHBondContact O-N 3.41Å; S1260-T1262 PolarHBondContact OG-OG1 3.15Å; S1260-V1263 PolarHBondContact O-N 3.34Å |
| 1261 | E | 54.1 | Low | 62.7 | Low | 98 Ų | 98 | 67.2 Ų | 67.2 | 46% | 0.458 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -17.7 | 171.8 | -94.8 | -171.4 | 154.5 | 0 | 0 | 112 | Y1174 P1230 K1336 | Y1174-E1261 PolarHBondContact OH-OE1 3Å; P1230-E1261 HydrophobicContact CB-CG 4.07Å; P1230-E1261 HydrophobicContact CG-CG 3.95Å; E1261-K1336 IonicContact OE1-NZ 3.54Å; E1261-K1336 PolarHBondContact OE1-NZ 2.71Å |
| 1262 | T | 52.6 | Low | 61.3 | Low | 76 Ų | 76 | 67.4 Ų | 67.4 | 47% | 0.466 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -27.3 | 176.7 | 58.4 | 0 | 0 | 0 | 0 | 114.1 | S1260 R1265 D1266 | S1260-T1262 WeakPolarHBondContact CB-OG1 3.22Å; S1260-T1262 PolarHBondContact O-N 3.41Å; S1260-T1262 PolarHBondContact OG-OG1 3.15Å; T1262-R1265 WeakPolarHBondContact O-CA 3.41Å; T1262-R1265 VanDerWaalsContact O-CB 3.25Å; T1262-R1265 WeakPolarHBondContact O-CB 3.4Å; T1262-R1265 PolarHBondContact O-N 2.92Å; T1262-R1265 VanDerWaalsContact O-N 3.16Å; T1262-D1266 PolarHBondContact O-N 2.91Å |
| 1263 | V | 44.9 | Very low | 59.8 | Low | 63 Ų | 63 | 61.7 Ų | 61.7 | 38% | 0.382 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -75.9 | -34.8 | -169.8 | 172 | 0 | 0 | 0 | 0 | 112.8 | Y1259 S1260 R1265 S1267 | Y1259-V1263 HydrophobicContact CD1-CG1 4.35Å; S1260-V1263 PolarHBondContact O-N 3.34Å; V1263-R1265 VanDerWaalsContact C-N 3.32Å; V1263-S1267 VanDerWaalsContact O-CB 3.25Å; V1263-S1267 WeakPolarHBondContact O-CB 3.4Å; V1263-S1267 PolarHBondContact O-N 3.24Å; V1263-S1267 PolarHBondContact O-OG 3.22Å |
| 1264 | E | 49.8 | Very low | 58.1 | Low | 51 Ų | 51 | 63 Ų | 63 | 24% | 0.238 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -76 | -25.3 | 170.2 | -146.5 | 177.3 | -167.9 | 0 | 0 | 111 | L1268 | E1264-L1268 WeakPolarHBondContact O-CB 3.43Å; E1264-L1268 PolarHBondContact O-N 2.94Å |
| 1265 | R | 45.8 | Very low | 56.5 | Low | 144 Ų | 144 | 62.5 Ų | 62.5 | 54% | 0.543 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.8 | -45.4 | 173.6 | -149.1 | 177.8 | -167 | 173.6 | 2.3 | 110.9 | T1262 V1263 N1269 | T1262-R1265 WeakPolarHBondContact O-CA 3.41Å; T1262-R1265 VanDerWaalsContact O-CB 3.25Å; T1262-R1265 WeakPolarHBondContact O-CB 3.4Å; T1262-R1265 PolarHBondContact O-N 2.92Å; T1262-R1265 VanDerWaalsContact O-N 3.16Å; V1263-R1265 VanDerWaalsContact C-N 3.32Å; R1265-N1269 WeakPolarHBondContact O-CB 3.29Å; R1265-N1269 PolarHBondContact O-N 3.41Å; R1265-N1269 PolarHBondContact O-ND2 2.77Å |
| 1266 | D | 47.7 | Very low | 54.6 | Low | 108 Ų | 108 | 59.5 Ų | 59.5 | 58% | 0.578 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -78.7 | -34.9 | -179.9 | -73.3 | -24.7 | 0 | 0 | 0 | 113.2 | T1262 H1270 | T1262-D1266 PolarHBondContact O-N 2.91Å; D1266-H1270 WeakPolarHBondContact O-CB 3.05Å; D1266-H1270 PolarHBondContact O-N 3.05Å |
| 1267 | S | 46 | Very low | 52.6 | Low | 53 Ų | 53 | 66.3 Ų | 66.3 | 37% | 0.371 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -76.6 | -35.3 | -179.9 | -54.5 | 0 | 0 | 0 | 0 | 113.1 | V1263 L1271 | V1263-S1267 VanDerWaalsContact O-CB 3.25Å; V1263-S1267 WeakPolarHBondContact O-CB 3.4Å; V1263-S1267 PolarHBondContact O-N 3.24Å; V1263-S1267 PolarHBondContact O-OG 3.22Å; S1267-L1271 PolarHBondContact O-N 3.4Å |
| 1268 | L | 50.4 | Low | 50.9 | Low | 21 Ų | 21 | 66.6 Ų | 66.6 | 11% | 0.11 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -80.8 | -31.6 | 173.1 | -135.9 | 80.2 | 0 | 0 | 0 | 111.3 | E1264 H1270 L1271 T1272 F1305 T1435 | E1264-L1268 WeakPolarHBondContact O-CB 3.43Å; E1264-L1268 PolarHBondContact O-N 2.94Å; L1268-H1270 VanDerWaalsContact C-N 3.32Å; L1268-L1271 PolarHBondContact O-N 2.8Å; L1268-T1272 PolarHBondContact O-N 3.23Å; L1268-T1272 VanDerWaalsContact O-N 3.1Å; L1268-T1272 PolarHBondContact O-OG1 2.77Å; L1268-F1305 HydrophobicContact CD1-CD1 3.98Å; L1268-F1305 HydrophobicContact CD1-CE1 4.27Å; L1268-F1305 HydrophobicContact CD1-CG 4.33Å; L1268-T1435 HydrophobicContact CD2-CG2 3.45Å; L1268-T1435 VanDerWaalsContact CD2-CG2 3.45Å; L1268-T1435 HydrophobicContact CG-CG2 4.24Å |
| 1269 | N | 51 | Low | 49 | Very low | 33 Ų | 33 | 68.7 Ų | 68.7 | 18% | 0.176 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -67.2 | -29.7 | 168.1 | -76.5 | -25.3 | 0 | 0 | 0 | 112.9 | R1265 L1271 T1272 N1273 | R1265-N1269 WeakPolarHBondContact O-CB 3.29Å; R1265-N1269 PolarHBondContact O-N 3.41Å; R1265-N1269 PolarHBondContact O-ND2 2.77Å; N1269-L1271 VanDerWaalsContact C-N 3.34Å; N1269-T1272 VanDerWaalsContact CA-OG1 3.28Å; N1269-T1272 WeakPolarHBondContact CA-OG1 2.97Å; N1269-T1272 PolarHBondContact O-N 2.67Å; N1269-T1272 PolarHBondContact O-OG1 2.63Å; N1269-N1273 WeakPolarHBondContact O-CB 3.28Å; N1269-N1273 PolarHBondContact O-N 2.89Å; N1269-N1273 PolarHBondContact O-ND2 2.61Å |
| 1270 | H | 48.6 | Very low | 48 | Very low | 126 Ų | 126 | 69.4 Ų | 69.4 | 58% | 0.583 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -63.9 | -39.9 | 170.7 | -126 | 59.3 | 0 | 0 | 0 | 110.9 | D1266 L1268 N1273 L1274 | D1266-H1270 WeakPolarHBondContact O-CB 3.05Å; D1266-H1270 PolarHBondContact O-N 3.05Å; L1268-H1270 VanDerWaalsContact C-N 3.32Å; H1270-N1273 PolarHBondContact O-N 3.25Å; H1270-L1274 WeakPolarHBondContact O-CB 3.48Å; H1270-L1274 WeakPolarHBondContact O-CD1 3.27Å; H1270-L1274 PolarHBondContact O-N 3.47Å |
| 1271 | L | 48 | Very low | 47.3 | Very low | 32 Ų | 32 | 72.1 Ų | 72.1 | 17% | 0.168 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -69 | -35.4 | 174.9 | -98.7 | 86.7 | 0 | 0 | 0 | 113.9 | S1267 L1268 N1269 N1273 L1274 I1275 L1302 F1305 | S1267-L1271 PolarHBondContact O-N 3.4Å; L1268-L1271 PolarHBondContact O-N 2.8Å; N1269-L1271 VanDerWaalsContact C-N 3.34Å; L1271-N1273 VanDerWaalsContact C-N 3.35Å; L1271-L1274 PolarHBondContact O-N 3.18Å; L1271-I1275 PolarHBondContact O-N 3.27Å; L1271-L1302 HydrophobicContact CD2-CD2 3.62Å; L1271-L1302 HydrophobicContact CD2-CG 4.45Å; L1271-F1305 HydrophobicContact CD1-CD2 4.07Å; L1271-F1305 HydrophobicContact CD1-CE2 3.14Å; L1271-F1305 HydrophobicContact CD1-CZ 3.51Å; L1271-F1305 HydrophobicContact CD2-CD2 3.7Å; L1271-F1305 HydrophobicContact CD2-CE2 3.62Å; L1271-F1305 HydrophobicContact CG-CE2 3.99Å |
| 1272 | T | 50.5 | Low | 46.8 | Very low | 14 Ų | 14 | 73.2 Ų | 73.2 | 9% | 0.086 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -73.3 | -25.1 | 173.6 | 27 | 0 | 0 | 0 | 0 | 113.5 | L1268 N1269 | L1268-T1272 PolarHBondContact O-N 3.23Å; L1268-T1272 VanDerWaalsContact O-N 3.1Å; L1268-T1272 PolarHBondContact O-OG1 2.77Å; N1269-T1272 VanDerWaalsContact CA-OG1 3.28Å; N1269-T1272 WeakPolarHBondContact CA-OG1 2.97Å; N1269-T1272 PolarHBondContact O-N 2.67Å; N1269-T1272 PolarHBondContact O-OG1 2.63Å |
| 1273 | N | 46.5 | Very low | 46.3 | Very low | 58 Ų | 58 | 75.7 Ų | 75.7 | 31% | 0.31 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -76.3 | -26.5 | 168.2 | -78.8 | -38.8 | 0 | 0 | 0 | 112.8 | N1269 H1270 L1271 L1276 H1277 K1438 | N1269-N1273 WeakPolarHBondContact O-CB 3.28Å; N1269-N1273 PolarHBondContact O-N 2.89Å; N1269-N1273 PolarHBondContact O-ND2 2.61Å; H1270-N1273 PolarHBondContact O-N 3.25Å; L1271-N1273 VanDerWaalsContact C-N 3.35Å; N1273-L1276 PolarHBondContact O-N 2.99Å; N1273-H1277 PolarHBondContact O-ND1 3.32Å; N1273-K1438 VanDerWaalsContact OD1-CE 3.24Å; N1273-K1438 WeakPolarHBondContact OD1-CE 3.37Å |
| 1274 | L | 45.8 | Very low | 46.1 | Very low | 104 Ų | 104 | 77.8 Ų | 77.8 | 55% | 0.545 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -79.3 | -19.5 | 178.1 | -96.5 | 142.6 | 0 | 0 | 0 | 114.2 | H1270 L1271 L1276 | H1270-L1274 WeakPolarHBondContact O-CB 3.48Å; H1270-L1274 WeakPolarHBondContact O-CD1 3.27Å; H1270-L1274 PolarHBondContact O-N 3.47Å; L1271-L1274 PolarHBondContact O-N 3.18Å; L1274-L1276 PolarHBondContact O-N 3.25Å |
| 1275 | I | 50.2 | Low | 45.6 | Very low | 39 Ų | 39 | 78.5 Ų | 78.5 | 20% | 0.2 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -12.1 | 167.9 | -67.3 | 157.2 | 0 | 0 | 0 | 111.5 | L1271 L1426 I1440 | L1271-I1275 PolarHBondContact O-N 3.27Å; I1275-L1426 HydrophobicContact CD1-CB 4.41Å; I1275-L1426 HydrophobicContact CD1-CD2 3.34Å; I1275-L1426 HydrophobicContact CD1-CG 4.48Å; I1275-L1426 HydrophobicContact CG1-CD2 4.36Å; I1275-I1440 HydrophobicContact CG2-CD1 4.47Å |
| 1276 | L | 45.6 | Very low | 45.6 | Very low | 48 Ų | 48 | 74.3 Ų | 74.3 | 25% | 0.251 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.8 | 4.3 | -175.9 | -82.5 | 139.6 | 0 | 0 | 0 | 115.5 | N1273 L1274 V1278 K1438 I1440 | N1273-L1276 PolarHBondContact O-N 2.99Å; L1274-L1276 PolarHBondContact O-N 3.25Å; L1276-V1278 PolarHBondContact O-N 2.93Å; L1276-K1438 HydrophobicContact CD1-CB 3.36Å; L1276-K1438 HydrophobicContact CD1-CD 4.01Å; L1276-K1438 HydrophobicContact CD1-CG 3.71Å; L1276-I1440 HydrophobicContact CD2-CD1 4.34Å; L1276-I1440 HydrophobicContact CD2-CG1 3.65Å; L1276-I1440 HydrophobicContact CG-CG1 4.23Å |
| 1277 | H | 41.9 | Very low | 45.4 | Very low | 150 Ų | 150 | 73.8 Ų | 73.8 | 69% | 0.694 | 39% | 0.392 | S | S | * | . | trans | -91.4 | 60.5 | 169.3 | -74.2 | 73.5 | 0 | 0 | 0 | 110.3 | N1273 | N1273-H1277 PolarHBondContact O-ND1 3.32Š| ||
| 1278 | V | 45.9 | Very low | 45.5 | Very low | 62 Ų | 62 | 76 Ų | 76 | 38% | 0.376 | 40% | 0.395 | S | S | . | . | trans | -77.1 | 125.7 | 153.2 | 179.7 | 0 | 0 | 0 | 0 | 105.3 | L1276 Q1282 | L1276-V1278 PolarHBondContact O-N 2.93Å; V1278-Q1282 HydrophobicContact CG1-CB 3.31Å | ||
| 1279 | P | 38.9 | Very low | 45.6 | Very low | 44 Ų | 44 | 80.6 Ų | 80.6 | 29% | 0.286 | 42% | 0.416 | S | S | . | . | trans | -50.7 | 147.4 | 176.4 | -22.6 | 31.2 | 0 | 0 | 0 | 110.2 | E1281 Q1282 | P1279-E1281 PolarHBondContact O-N 3.23Å; P1279-Q1282 PolarHBondContact O-N 2.93Å | ||
| 1280 | P | 43.5 | Very low | 46 | Very low | 119 Ų | 119 | 82.3 Ų | 82.3 | 77% | 0.773 | 43% | 0.426 | S | S | * | . | G | 310 helix | trans | -52.4 | -23.9 | -179.1 | -24 | 32.6 | 0 | 0 | 0 | 113.5 | Q1282 | P1280-Q1282 PolarHBondContact O-N 3.24Š|
| 1281 | E | 46.5 | Very low | 46.9 | Very low | 72 Ų | 72 | 78.4 Ų | 78.4 | 34% | 0.336 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -75.7 | -10.1 | 178 | -61.4 | 179.9 | 156.5 | 0 | 0 | 115.3 | P17 P1279 | P17-E1281 HydrophobicContact CG-CB 4.34Å; P17-E1281 HydrophobicContact CG-CG 3.58Å; P17-E1281 WeakPolarHBondContact CG-OE1 3.19Å; P1279-E1281 PolarHBondContact O-N 3.23Å |
| 1282 | Q | 42.8 | Very low | 47.9 | Very low | 120 Ų | 120 | 79 Ų | 79 | 56% | 0.561 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -116.7 | 0.8 | 179.8 | -80 | -169.7 | -3.2 | 0 | 0 | 114.7 | V1278 P1279 P1280 T1284 | V1278-Q1282 HydrophobicContact CG1-CB 3.31Å; P1279-Q1282 PolarHBondContact O-N 2.93Å; P1280-Q1282 PolarHBondContact O-N 3.24Å; Q1282-T1284 PolarHBondContact O-N 3.06Å |
| 1283 | Q | 43 | Very low | 49.1 | Very low | 129 Ų | 129 | 78.6 Ų | 78.6 | 60% | 0.603 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -13.6 | 172.9 | -77.3 | -170.5 | 0.7 | 0 | 0 | 113.5 | ||
| 1284 | T | 39.8 | Very low | 50.4 | Low | 107 Ų | 107 | 77.4 Ų | 77.4 | 66% | 0.656 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | -5.3 | -175.9 | 47.8 | 0 | 0 | 0 | 0 | 114.6 | Q1282 | Q1282-T1284 PolarHBondContact O-N 3.06Š|
| 1285 | T | 38.9 | Very low | 51.7 | Low | 65 Ų | 65 | 72.8 Ų | 72.8 | 40% | 0.399 | 38% | 0.381 | S | S | . | . | trans | -113.5 | 46.3 | 178.1 | 57.5 | 0 | 0 | 0 | 0 | 113.2 | I1287 | T1285-I1287 PolarHBondContact O-N 3Š| ||
| 1286 | H | 45.4 | Very low | 52.8 | Low | 56 Ų | 56 | 76.4 Ų | 76.4 | 26% | 0.259 | 39% | 0.393 | S | S | . | . | trans | -70.6 | 109.1 | 147.9 | -71.7 | -69.9 | 0 | 0 | 0 | 106.4 | K1288 I1294 | H1286-K1288 WeakPolarHBondContact O-CG 3.26Å; H1286-K1288 PolarHBondContact O-N 2.93Å; H1286-I1294 PolarHBondContact ND1-O 2.75Å | ||
| 1287 | I | 43.4 | Very low | 54.3 | Low | 97 Ų | 97 | 74.6 Ų | 74.6 | 50% | 0.497 | 38% | 0.384 | S | S | . | . | trans | -57.5 | 102 | 175.5 | -65.1 | 165.5 | 0 | 0 | 0 | 107.4 | T1285 I1294 | T1285-I1287 PolarHBondContact O-N 3Å; I1287-I1294 HydrophobicContact CB-CB 4.44Å; I1287-I1294 HydrophobicContact CB-CD1 3.73Å; I1287-I1294 HydrophobicContact CB-CG1 4.07Å; I1287-I1294 HydrophobicContact CD1-CD1 4.07Å; I1287-I1294 HydrophobicContact CG1-CD1 4.48Å; I1287-I1294 HydrophobicContact CG2-CD1 3.85Å; I1287-I1294 HydrophobicContact CG2-CG1 4.47Å | ||
| 1288 | K | 48.5 | Very low | 55.5 | Low | 99 Ų | 99 | 69.3 Ų | 69.3 | 43% | 0.43 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 107.2 | -179.4 | -74.3 | 168.6 | -174.6 | 173.8 | 0 | 108 | H1286 L1445 | H1286-K1288 WeakPolarHBondContact O-CG 3.26Å; H1286-K1288 PolarHBondContact O-N 2.93Å; K1288-L1445 HydrophobicContact CB-CD1 3.51Å; K1288-L1445 HydrophobicContact CB-CG 3.88Å; K1288-L1445 HydrophobicContact CD-CD1 4.3Å; K1288-L1445 HydrophobicContact CD-CD2 4.31Å; K1288-L1445 HydrophobicContact CD-CG 4.03Å; K1288-L1445 HydrophobicContact CG-CG 4.46Å |
| 1289 | Q | 53.9 | Low | 56.8 | Low | 118 Ų | 118 | 66.7 Ų | 66.7 | 55% | 0.551 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 156.3 | 162.1 | -74.5 | -177.4 | -20.8 | 0 | 0 | 108.3 | S1291 M1292 | Q1289-S1291 PolarHBondContact O-N 2.77Å; Q1289-M1292 PolarHBondContact O-N 2.9Å; Q1289-M1292 VanDerWaalsContact O-N 3.08Å |
| 1290 | D | 58.8 | Low | 58.4 | Low | 70 Ų | 70 | 66.5 Ų | 66.5 | 37% | 0.374 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | -16.2 | -164.3 | -57 | -40.8 | 0 | 0 | 0 | 115.9 | ||
| 1291 | S | 66.3 | Low | 59.5 | Low | 44 Ų | 44 | 69.8 Ų | 69.8 | 31% | 0.308 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -141.5 | 14.3 | -179.2 | 60.6 | 0 | 0 | 0 | 0 | 115.7 | Q1289 L1416 | Q1289-S1291 PolarHBondContact O-N 2.77Å; S1291-L1416 WeakPolarHBondContact O-CB 3.46Å; S1291-L1416 PolarHBondContact O-N 2.79Å |
| 1292 | M | 70.8 | Confident | 60.5 | Low | 44 Ų | 44 | 67 Ų | 67 | 22% | 0.217 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 151.5 | -175.6 | -56.7 | -173.5 | -167.3 | 0 | 0 | 114.2 | Q1289 I1398 I1399 G1400 E1401 | Q1289-M1292 PolarHBondContact O-N 2.9Å; Q1289-M1292 VanDerWaalsContact O-N 3.08Å; M1292-I1398 HydrophobicContact CB-CG2 4.04Å; M1292-I1398 HydrophobicContact CG-CG2 4.38Å; M1292-I1398 HydrophobicContact SD-CG2 3.8Å; M1292-I1399 CarbonylContact C-O 3.53Å; M1292-I1399 WeakPolarHBondContact CA-O 3.39Å; M1292-I1399 WeakPolarHBondContact CB-O 3.43Å; M1292-G1400 WeakPolarHBondContact CE-O 3.38Å; M1292-E1401 HydrophobicContact SD-CB 4.33Å |
| 1293 | I | 75.6 | Confident | 61.8 | Low | 5 Ų | 5 | 63.2 Ų | 63.2 | 3% | 0.026 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 120.6 | 173.9 | -65.7 | 166.8 | 0 | 0 | 0 | 109 | L1295 I1399 L1416 Y1422 I1424 T1444 | I1293-L1295 HydrophobicContact CG2-CG 4.43Å; I1293-I1399 HydrophobicContact CB-CB 4.38Å; I1293-I1399 PolarHBondContact N-O 3.31Å; I1293-I1399 PolarHBondContact O-N 3.32Å; I1293-L1416 HydrophobicContact CB-CD1 3.99Å; I1293-L1416 HydrophobicContact CD1-CD1 3.45Å; I1293-L1416 VanDerWaalsContact CD1-CD1 3.45Å; I1293-L1416 HydrophobicContact CG1-CD1 3.49Å; I1293-L1416 VanDerWaalsContact CG1-CD1 3.49Å; I1293-Y1422 HydrophobicContact CD1-CD2 4.26Å; I1293-I1424 HydrophobicContact CD1-CD1 4.28Å; I1293-I1424 HydrophobicContact CG2-CD1 4.19Å; I1293-T1444 HydrophobicContact CD1-CG2 4.44Å; I1293-T1444 HydrophobicContact CG1-CG2 4.39Å |
| 1294 | I | 73.1 | Confident | 62.6 | Low | 33 Ų | 33 | 66.6 Ų | 66.6 | 17% | 0.169 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 127 | 176.1 | -50.3 | -164.2 | 0 | 0 | 0 | 110.5 | H1286 I1287 Y1396 I1398 | H1286-I1294 PolarHBondContact ND1-O 2.75Å; I1287-I1294 HydrophobicContact CB-CB 4.44Å; I1287-I1294 HydrophobicContact CB-CD1 3.73Å; I1287-I1294 HydrophobicContact CB-CG1 4.07Å; I1287-I1294 HydrophobicContact CD1-CD1 4.07Å; I1287-I1294 HydrophobicContact CG1-CD1 4.48Å; I1287-I1294 HydrophobicContact CG2-CD1 3.85Å; I1287-I1294 HydrophobicContact CG2-CG1 4.47Å; I1294-Y1396 HydrophobicContact CG2-CD1 4.25Å; I1294-I1398 HydrophobicContact CD1-CD1 4.16Å; I1294-I1398 HydrophobicContact CD1-CG1 4.12Å; I1294-I1398 HydrophobicContact CG1-CG1 4.01Å; I1294-I1398 HydrophobicContact CG1-CG2 4.26Å; I1294-I1398 HydrophobicContact CG2-CG1 4.25Å |
| 1295 | L | 73.6 | Confident | 63.7 | Low | 8 Ų | 8 | 63 Ų | 63 | 4% | 0.042 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 136.6 | 175.9 | -67.2 | 167.7 | 0 | 0 | 0 | 110.8 | I1293 L1297 L1314 Y1396 F1397 I1399 I1424 | I1293-L1295 HydrophobicContact CG2-CG 4.43Å; L1295-L1297 HydrophobicContact CB-CD2 4.42Å; L1295-L1314 HydrophobicContact CD1-CD1 3.87Å; L1295-L1314 HydrophobicContact CD1-CD2 4.42Å; L1295-Y1396 CarbonylContact O-C 3.51Å; L1295-Y1396 WeakPolarHBondContact O-CA 3.47Å; L1295-F1397 PolarHBondContact N-O 2.84Å; L1295-F1397 PolarHBondContact O-N 2.83Å; L1295-I1399 HydrophobicContact CD1-CD1 3.42Å; L1295-I1399 VanDerWaalsContact CD1-CD1 3.42Å; L1295-I1399 HydrophobicContact CD1-CG1 4.03Å; L1295-I1399 HydrophobicContact CG-CD1 4.31Å; L1295-I1424 HydrophobicContact CD1-CD1 4.4Å; L1295-I1424 HydrophobicContact CD1-CG2 3.99Å; L1295-I1424 HydrophobicContact CD2-CD1 4.42Å |
| 1296 | Y | 73.6 | Confident | 64.9 | Low | 115 Ų | 115 | 62 Ų | 62 | 45% | 0.451 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 123.7 | 164.6 | -180 | -109.2 | 0 | 0 | 0 | 109.5 | P1298 D1394 Y1396 | Y1296-P1298 HydrophobicContact CE1-CB 3.93Å; Y1296-P1298 HydrophobicContact CE1-CG 4.4Å; Y1296-D1394 HydrophobicContact CE2-CB 4.33Å; Y1296-D1394 PolarHBondContact OH-OD2 3.01Å; Y1296-Y1396 AromaticContact CD2-CD1 3.97Å; Y1296-Y1396 HydrophobicContact CD2-CD1 3.97Å; Y1296-Y1396 HydrophobicContact CD2-CD2 4.16Å; Y1296-Y1396 AromaticContact CD2-CE1 3.62Å; Y1296-Y1396 HydrophobicContact CD2-CE1 3.62Å; Y1296-Y1396 AromaticContact CD2-CE2 3.82Å; Y1296-Y1396 HydrophobicContact CD2-CE2 3.82Å; Y1296-Y1396 HydrophobicContact CD2-CG 4.23Å; Y1296-Y1396 AromaticContact CD2-CZ 3.54Å; Y1296-Y1396 HydrophobicContact CE2-CE2 4.08Å; Y1296-Y1396 HydrophobicContact CG-CE1 4.17Å |
| 1297 | L | 75.2 | Confident | 65.5 | Low | 9 Ų | 9 | 63.2 Ų | 63.2 | 5% | 0.047 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 102.2 | -178.8 | -59.6 | 177.1 | 0 | 0 | 0 | 109.6 | L1295 L1299 L1314 I1367 D1394 K1395 F1397 | L1295-L1297 HydrophobicContact CB-CD2 4.42Å; L1297-L1299 HydrophobicContact CB-CD2 4.16Å; L1297-L1299 HydrophobicContact CB-CG 3.97Å; L1297-L1299 PolarHBondContact O-N 2.91Å; L1297-L1314 HydrophobicContact CD1-CD1 4.4Å; L1297-I1367 HydrophobicContact CD1-CG2 4.1Å; L1297-D1394 WeakPolarHBondContact O-CA 3.45Å; L1297-K1395 HydrophobicContact CB-CG 4.47Å; L1297-K1395 PolarHBondContact N-O 3.2Å; L1297-K1395 PolarHBondContact O-N 2.89Å; L1297-F1397 HydrophobicContact CD1-CB 3.73Å; L1297-F1397 HydrophobicContact CD1-CG 4.33Å; L1297-F1397 HydrophobicContact CG-CB 4.34Å |
| 1298 | P | 68.3 | Low | 66.4 | Low | 39 Ų | 39 | 60 Ų | 60 | 25% | 0.253 | 29% | 0.29 | S | S | . | . | trans | -77.7 | 61.4 | 178.8 | 32.3 | -35.3 | 0 | 0 | 0 | 112 | Y1296 S1300 R1301 D1394 | Y1296-P1298 HydrophobicContact CE1-CB 3.93Å; Y1296-P1298 HydrophobicContact CE1-CG 4.4Å; P1298-S1300 PolarHBondContact O-N 3.49Å; P1298-R1301 PolarHBondContact O-N 2.97Å; P1298-D1394 VanDerWaalsContact CA-CG 3.5Å; P1298-D1394 WeakPolarHBondContact CA-OD1 3.38Å | ||
| 1299 | L | 73.4 | Confident | 67.4 | Low | 7 Ų | 7 | 55.3 Ų | 55.3 | 4% | 0.037 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -66.4 | -19.2 | -173.5 | -57.7 | 176.1 | 0 | 0 | 0 | 113.5 | L1297 R1301 L1302 V1312 I1367 Y1392 D1394 K1395 | L1297-L1299 HydrophobicContact CB-CD2 4.16Å; L1297-L1299 HydrophobicContact CB-CG 3.97Å; L1297-L1299 PolarHBondContact O-N 2.91Å; L1299-R1301 PolarHBondContact O-N 3.1Å; L1299-R1301 VanDerWaalsContact O-N 3.08Å; L1299-L1302 HydrophobicContact CB-CD1 4.5Å; L1299-L1302 HydrophobicContact CD2-CD1 3.86Å; L1299-L1302 WeakPolarHBondContact O-CB 3.46Å; L1299-L1302 PolarHBondContact O-N 3.4Å; L1299-V1312 HydrophobicContact CD2-CG1 4.26Å; L1299-I1367 HydrophobicContact CD1-CG2 4.08Å; L1299-Y1392 WeakPolarHBondContact O-CB 3.17Å; L1299-D1394 PolarHBondContact N-OD1 2.93Å; L1299-D1394 VanDerWaalsContact N-OD1 3.12Å; L1299-K1395 HydrophobicContact CD1-CD 4.16Å; L1299-K1395 HydrophobicContact CD1-CG 4.12Å |
| 1300 | S | 72 | Confident | 68.1 | Low | 41 Ų | 41 | 51.1 Ų | 51.1 | 29% | 0.287 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -57.8 | -24.3 | 177.8 | 67.8 | 0 | 0 | 0 | 0 | 113 | P1298 L1302 N1303 Y1392 D1394 | P1298-S1300 PolarHBondContact O-N 3.49Å; S1300-L1302 VanDerWaalsContact C-N 3.27Å; S1300-L1302 PolarHBondContact O-N 3.2Å; S1300-N1303 VanDerWaalsContact O-CB 3.28Å; S1300-N1303 WeakPolarHBondContact O-CB 3.47Å; S1300-N1303 PolarHBondContact O-N 3Å; S1300-N1303 PolarHBondContact O-ND2 2.84Å; S1300-Y1392 WeakPolarHBondContact CA-O 3.31Å; S1300-D1394 WeakPolarHBondContact CA-OD1 3.42Å; S1300-D1394 WeakPolarHBondContact CB-OD1 3.38Å; S1300-D1394 PolarHBondContact N-OD1 2.91Å; S1300-D1394 VanDerWaalsContact OG-CG 3.25Å; S1300-D1394 PolarHBondContact OG-OD1 3.13Å; S1300-D1394 PolarHBondContact OG-OD2 2.82Å |
| 1301 | R | 66.6 | Low | 68.7 | Low | 187 Ų | 187 | 48 Ų | 48 | 71% | 0.706 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -68.5 | -21.4 | 174.8 | -58.5 | -66 | -176.2 | 163 | 1.1 | 113.6 | P1298 L1299 N1303 | P1298-R1301 PolarHBondContact O-N 2.97Å; L1299-R1301 PolarHBondContact O-N 3.1Å; L1299-R1301 VanDerWaalsContact O-N 3.08Å; R1301-N1303 PolarHBondContact O-N 3.26Å |
| 1302 | L | 68.4 | Low | 69.3 | Low | 14 Ų | 14 | 46 Ų | 46 | 7% | 0.073 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -75.8 | -10.9 | 175 | -65.5 | 168.1 | 0 | 0 | 0 | 113 | L1271 L1299 S1300 Y1304 F1305 I1306 V1312 Y1392 | L1271-L1302 HydrophobicContact CD2-CD2 3.62Å; L1271-L1302 HydrophobicContact CD2-CG 4.45Å; L1299-L1302 HydrophobicContact CB-CD1 4.5Å; L1299-L1302 HydrophobicContact CD2-CD1 3.86Å; L1299-L1302 WeakPolarHBondContact O-CB 3.46Å; L1299-L1302 PolarHBondContact O-N 3.4Å; S1300-L1302 VanDerWaalsContact C-N 3.27Å; S1300-L1302 PolarHBondContact O-N 3.2Å; L1302-Y1304 PolarHBondContact O-N 2.8Å; L1302-Y1304 VanDerWaalsContact O-N 3.15Å; L1302-F1305 CarbonylContact O-C 3.57Å; L1302-F1305 PolarHBondContact O-N 3.01Å; L1302-I1306 PolarHBondContact O-N 3.04Å; L1302-V1312 HydrophobicContact CD1-CG2 4.11Å; L1302-Y1392 HydrophobicContact CB-CD2 3.83Å; L1302-Y1392 HydrophobicContact CB-CE2 4.21Å; L1302-Y1392 HydrophobicContact CB-CG 4.17Å |
| 1303 | N | 68.8 | Low | 69.7 | Low | 40 Ų | 40 | 43.9 Ų | 43.9 | 21% | 0.214 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -60.1 | -24.1 | 176.9 | -72.6 | -35.2 | 0 | 0 | 0 | 113.2 | S1300 R1301 F1305 I1306 L1391 Y1392 | S1300-N1303 VanDerWaalsContact O-CB 3.28Å; S1300-N1303 WeakPolarHBondContact O-CB 3.47Å; S1300-N1303 PolarHBondContact O-N 3Å; S1300-N1303 PolarHBondContact O-ND2 2.84Å; R1301-N1303 PolarHBondContact O-N 3.26Å; N1303-F1305 VanDerWaalsContact C-N 3.27Å; N1303-F1305 PolarHBondContact O-N 2.75Å; N1303-I1306 WeakPolarHBondContact O-CB 3.5Å; N1303-I1306 WeakPolarHBondContact O-CG2 3.26Å; N1303-I1306 PolarHBondContact O-N 2.81Å; N1303-L1391 HydrophobicContact CB-CD2 3.98Å; N1303-L1391 WeakPolarHBondContact OD1-CA 3.37Å; N1303-L1391 WeakPolarHBondContact OD1-CD2 3.15Å; N1303-Y1392 PolarHBondContact ND2-O 2.76Å; N1303-Y1392 WeakPolarHBondContact OD1-CA 3.46Å; N1303-Y1392 WeakPolarHBondContact OD1-CB 3.39Å; N1303-Y1392 WeakPolarHBondContact OD1-CD2 3.45Å; N1303-Y1392 PolarHBondContact OD1-N 2.81Å |
| 1304 | Y | 60.7 | Low | 70 | Confident | 200 Ų | 200 | 43.8 Ų | 43.8 | 78% | 0.784 | 21% | 0.207 | S | C | * | . | G | 310 helix | trans | -68.9 | -26.3 | 174.5 | -166.5 | -93.3 | 0 | 0 | 0 | 112.8 | L1302 | L1302-Y1304 PolarHBondContact O-N 2.8Å; L1302-Y1304 VanDerWaalsContact O-N 3.15Å |
| 1305 | F | 62.2 | Low | 70.2 | Confident | 33 Ų | 33 | 42.6 Ų | 42.6 | 15% | 0.145 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -109.2 | 23.3 | -179.9 | -54 | -87.1 | 0 | 0 | 0 | 111.7 | L1268 L1271 L1302 N1303 S1307 T1308 V1309 | L1268-F1305 HydrophobicContact CD1-CD1 3.98Å; L1268-F1305 HydrophobicContact CD1-CE1 4.27Å; L1268-F1305 HydrophobicContact CD1-CG 4.33Å; L1271-F1305 HydrophobicContact CD1-CD2 4.07Å; L1271-F1305 HydrophobicContact CD1-CE2 3.14Å; L1271-F1305 HydrophobicContact CD1-CZ 3.51Å; L1271-F1305 HydrophobicContact CD2-CD2 3.7Å; L1271-F1305 HydrophobicContact CD2-CE2 3.62Å; L1271-F1305 HydrophobicContact CG-CE2 3.99Å; L1302-F1305 CarbonylContact O-C 3.57Å; L1302-F1305 PolarHBondContact O-N 3.01Å; N1303-F1305 VanDerWaalsContact C-N 3.27Å; N1303-F1305 PolarHBondContact O-N 2.75Å; F1305-S1307 PolarHBondContact O-N 3.48Å; F1305-S1307 VanDerWaalsContact O-N 3.12Å; F1305-T1308 PolarHBondContact O-N 2.86Å; F1305-T1308 PolarHBondContact O-OG1 3.32Å; F1305-V1309 HydrophobicContact CB-CG2 4.09Å; F1305-V1309 PolarHBondContact O-N 3.38Å |
| 1306 | I | 64.1 | Low | 70.6 | Confident | 42 Ų | 42 | 42.3 Ų | 42.3 | 22% | 0.215 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -29.7 | -171.8 | -166.2 | 159.1 | 0 | 0 | 0 | 112.5 | L1302 N1303 R1370 Y1390 L1391 Y1392 | L1302-I1306 PolarHBondContact O-N 3.04Å; N1303-I1306 WeakPolarHBondContact O-CB 3.5Å; N1303-I1306 WeakPolarHBondContact O-CG2 3.26Å; N1303-I1306 PolarHBondContact O-N 2.81Å; I1306-R1370 PolarHBondContact O-NH1 2.82Å; I1306-Y1390 VanDerWaalsContact CD1-O 3.24Å; I1306-Y1390 WeakPolarHBondContact CD1-O 3.4Å; I1306-L1391 HydrophobicContact CD1-CD2 4.17Å; I1306-Y1392 HydrophobicContact CG1-CE2 4.19Å |
| 1307 | S | 58.3 | Low | 70.6 | Confident | 82 Ų | 82 | 40.7 Ų | 40.7 | 57% | 0.573 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -24.5 | 178.5 | 51.4 | 0 | 0 | 0 | 0 | 114.1 | F1305 Y1310 | F1305-S1307 PolarHBondContact O-N 3.48Å; F1305-S1307 VanDerWaalsContact O-N 3.12Å; S1307-Y1310 WeakPolarHBondContact O-CE1 3.42Å; S1307-Y1310 PolarHBondContact O-OH 2.93Å |
| 1308 | T | 62 | Low | 70.6 | Confident | 29 Ų | 29 | 41 Ų | 41 | 18% | 0.178 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | -28.3 | -173.4 | 54 | 0 | 0 | 0 | 0 | 113.7 | F1305 T1430 | F1305-T1308 PolarHBondContact O-N 2.86Å; F1305-T1308 PolarHBondContact O-OG1 3.32Å; T1308-T1430 VanDerWaalsContact O-CA 3.23Å; T1308-T1430 WeakPolarHBondContact O-CA 3Å; T1308-T1430 WeakPolarHBondContact O-CB 3.45Å; T1308-T1430 VanDerWaalsContact O-CG2 3.29Å; T1308-T1430 WeakPolarHBondContact O-CG2 3.36Å |
| 1309 | V | 70.1 | Confident | 70.5 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | trans | -93.5 | 117.4 | 179.9 | -179 | 0 | 0 | 0 | 0 | 111.3 | F1305 V1312 Y1392 T1428 T1430 | F1305-V1309 HydrophobicContact CB-CG2 4.09Å; F1305-V1309 PolarHBondContact O-N 3.38Å; V1309-V1312 HydrophobicContact CG1-CG2 4.03Å; V1309-Y1392 PolarHBondContact O-OH 2.92Å; V1309-T1428 HydrophobicContact CG1-CG2 4.22Å; V1309-T1430 HydrophobicContact CG2-CG2 4.34Å | ||
| 1310 | Y | 68 | Low | 69.6 | Low | 30 Ų | 30 | 52.1 Ų | 52.1 | 12% | 0.118 | 24% | 0.24 | C | C | . | . | trans | -104.8 | -33.7 | -176.1 | -53.4 | -52.7 | 0 | 0 | 0 | 114.4 | S1307 R1370 M1386 Y1429 E1431 | S1307-Y1310 WeakPolarHBondContact O-CE1 3.42Å; S1307-Y1310 PolarHBondContact O-OH 2.93Å; Y1310-R1370 PolarHBondContact O-N 2.82Å; Y1310-M1386 HydrophobicContact CD1-CE 3.38Å; Y1310-M1386 HydrophobicContact CD1-SD 4.07Å; Y1310-M1386 HydrophobicContact CE1-CE 3.04Å; Y1310-M1386 HydrophobicContact CE1-SD 3.72Å; Y1310-M1386 HydrophobicContact CE2-CE 4.29Å; Y1310-M1386 HydrophobicContact CG-CE 4.18Å; Y1310-Y1429 PolarHBondContact N-O 3.46Å; Y1310-E1431 HydrophobicContact CE2-CB 3.75Å; Y1310-E1431 HydrophobicContact CE2-CG 4.13Å; Y1310-E1431 VanDerWaalsContact CE2-N 3.29Å | ||
| 1311 | V | 72.1 | Confident | 68.6 | Low | 6 Ų | 6 | 56.8 Ų | 56.8 | 4% | 0.036 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 136.1 | -177.7 | -178.5 | 0 | 0 | 0 | 0 | 109.9 | L1347 L1366 L1371 T1428 Y1429 | V1311-L1347 HydrophobicContact CG1-CD2 4.38Å; V1311-L1366 HydrophobicContact CG1-CD1 3.44Å; V1311-L1366 VanDerWaalsContact CG1-CD1 3.44Å; V1311-L1371 HydrophobicContact CG2-CD1 3.81Å; V1311-T1428 WeakPolarHBondContact O-CA 3.31Å; V1311-Y1429 HydrophobicContact CB-CD2 3.88Å; V1311-Y1429 HydrophobicContact CB-CG 4.2Å; V1311-Y1429 HydrophobicContact CG1-CD2 3.95Å; V1311-Y1429 HydrophobicContact CG1-CE2 4.44Å; V1311-Y1429 PolarHBondContact O-N 2.87Å |
| 1312 | V | 77.8 | Confident | 67.4 | Low | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 127.9 | 174.5 | -174.6 | 0 | 0 | 0 | 0 | 108.7 | L1299 L1302 V1309 I1367 H1368 Y1392 L1426 T1428 | L1299-V1312 HydrophobicContact CD2-CG1 4.26Å; L1302-V1312 HydrophobicContact CD1-CG2 4.11Å; V1309-V1312 HydrophobicContact CG1-CG2 4.03Å; V1312-I1367 HydrophobicContact CG1-CB 4.45Å; V1312-I1367 WeakPolarHBondContact O-CA 3.38Å; V1312-I1367 WeakPolarHBondContact O-CB 3.37Å; V1312-I1367 PolarHBondContact O-N 3.12Å; V1312-H1368 HydrophobicContact CB-CB 4.37Å; V1312-H1368 PolarHBondContact N-O 2.82Å; V1312-H1368 PolarHBondContact O-N 2.69Å; V1312-H1368 VanDerWaalsContact O-N 3.09Å; V1312-Y1392 HydrophobicContact CG2-CE1 4.02Å; V1312-L1426 HydrophobicContact CG1-CD1 3.74Å; V1312-L1426 HydrophobicContact CG1-CD2 4.32Å; V1312-L1426 HydrophobicContact CG1-CG 4.18Å; V1312-T1428 HydrophobicContact CG1-CG2 4.45Å; V1312-T1428 HydrophobicContact CG2-CG2 4.3Å |
| 1313 | S | 79.6 | Confident | 66 | Low | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 159.2 | -178 | 63.7 | 0 | 0 | 0 | 0 | 112.5 | E1364 I1365 R1427 | S1313-E1364 PolarHBondContact OG-OE1 2.69Å; S1313-I1365 CarbonylContact C-O 3.5Å; S1313-I1365 WeakPolarHBondContact CA-O 3.36Å; S1313-I1365 WeakPolarHBondContact CB-O 3.36Å; S1313-R1427 PolarHBondContact N-O 2.96Å; S1313-R1427 PolarHBondContact O-N 3.14Å |
| 1314 | L | 81.8 | Confident | 64.6 | Low | 3 Ų | 3 | 65.9 Ų | 65.9 | 2% | 0.016 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 124.6 | 173.1 | -77.7 | 174.5 | 0 | 0 | 0 | 110.3 | L1295 L1297 E1364 I1365 I1367 F1397 I1399 I1424 Q1425 L1426 | L1295-L1314 HydrophobicContact CD1-CD1 3.87Å; L1295-L1314 HydrophobicContact CD1-CD2 4.42Å; L1297-L1314 HydrophobicContact CD1-CD1 4.4Å; L1314-E1364 CarbonylContact O-C 3.54Å; L1314-E1364 VanDerWaalsContact O-CA 3.29Å; L1314-E1364 WeakPolarHBondContact O-CA 3.46Å; L1314-I1365 PolarHBondContact N-O 2.9Å; L1314-I1365 PolarHBondContact O-N 2.84Å; L1314-I1367 HydrophobicContact CB-CD1 4.29Å; L1314-I1367 HydrophobicContact CB-CG1 4.3Å; L1314-I1367 HydrophobicContact CD1-CD1 3.63Å; L1314-I1367 HydrophobicContact CD1-CG1 4.14Å; L1314-I1367 HydrophobicContact CG-CD1 3.86Å; L1314-I1367 HydrophobicContact CG-CG1 3.82Å; L1314-F1397 HydrophobicContact CD1-CD1 3.61Å; L1314-F1397 HydrophobicContact CD1-CE1 3.96Å; L1314-F1397 HydrophobicContact CD1-CG 4.34Å; L1314-I1399 HydrophobicContact CD1-CD1 4.44Å; L1314-I1424 HydrophobicContact CD2-CG2 3.97Å; L1314-Q1425 CarbonylContact C-O 3.58Å; L1314-Q1425 WeakPolarHBondContact CA-O 3.36Å; L1314-L1426 HydrophobicContact CD2-CB 4.42Å; L1314-L1426 HydrophobicContact CD2-CD1 3.77Å; L1314-L1426 HydrophobicContact CG-CD1 4.28Å |
| 1315 | V | 78.6 | Confident | 63.4 | Low | 9 Ų | 9 | 64.3 Ų | 64.3 | 6% | 0.055 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 126.3 | 172.8 | -176.7 | 0 | 0 | 0 | 0 | 109.2 | E1364 I1424 Q1425 R1427 | V1315-E1364 HydrophobicContact CG2-CG 4.11Å; V1315-E1364 WeakPolarHBondContact CG2-OE1 3.49Å; V1315-I1424 CarbonylContact O-C 3.58Å; V1315-I1424 WeakPolarHBondContact O-CA 3.32Å; V1315-Q1425 HydrophobicContact CB-CB 4.44Å; V1315-Q1425 PolarHBondContact N-O 3.14Å; V1315-Q1425 PolarHBondContact O-N 2.83Å; V1315-R1427 HydrophobicContact CG2-CB 4.34Å |
| 1316 | I | 80.5 | Confident | 62.5 | Low | 1 Ų | 1 | 69.1 Ų | 69.1 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 129 | -173.2 | -55 | 152.9 | 0 | 0 | 0 | 109.9 | S1362 W1363 I1365 I1399 Y1422 S1423 I1424 | I1316-S1362 CarbonylContact O-C 3.59Å; I1316-S1362 WeakPolarHBondContact O-CA 3.46Å; I1316-S1362 WeakPolarHBondContact O-CB 3.34Å; I1316-W1363 HydrophobicContact CB-CD2 4.12Å; I1316-W1363 HydrophobicContact CB-CE3 4.19Å; I1316-W1363 HydrophobicContact CB-CH2 3.93Å; I1316-W1363 HydrophobicContact CB-CZ2 3.85Å; I1316-W1363 HydrophobicContact CB-CZ3 4.1Å; I1316-W1363 HydrophobicContact CD1-CZ2 3.84Å; I1316-W1363 HydrophobicContact CG1-CZ2 4.46Å; I1316-W1363 HydrophobicContact CG2-CE3 4.3Å; I1316-W1363 HydrophobicContact CG2-CH2 3.28Å; I1316-W1363 HydrophobicContact CG2-CZ2 3.55Å; I1316-W1363 HydrophobicContact CG2-CZ3 3.7Å; I1316-W1363 PolarHBondContact N-O 3.11Å; I1316-W1363 PolarHBondContact O-N 2.93Å; I1316-I1365 HydrophobicContact CD1-CD1 3.34Å; I1316-I1365 HydrophobicContact CD1-CG1 3.86Å; I1316-I1399 HydrophobicContact CD1-CD1 3.89Å; I1316-I1399 HydrophobicContact CD1-CG1 4.29Å; I1316-I1399 HydrophobicContact CD1-CG2 3.78Å; I1316-I1399 HydrophobicContact CG1-CD1 4.14Å; I1316-Y1422 HydrophobicContact CG2-CD1 3.78Å; I1316-Y1422 HydrophobicContact CG2-CG 4.31Å; I1316-S1423 WeakPolarHBondContact CA-O 3.4Å; I1316-I1424 HydrophobicContact CG2-CG1 4.47Å |
| 1317 | K | 75.3 | Confident | 61.6 | Low | 82 Ų | 82 | 72.6 Ų | 72.6 | 36% | 0.357 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 138.8 | -178.2 | 176.5 | 179.6 | 177.8 | 176.8 | 0 | 111.9 | I1328 Y1422 S1423 | K1317-I1328 HydrophobicContact CD-CD1 3.92Å; K1317-Y1422 CarbonylContact O-C 3.58Å; K1317-Y1422 WeakPolarHBondContact O-CA 3.34Å; K1317-S1423 WeakPolarHBondContact CB-OG 3.39Å; K1317-S1423 PolarHBondContact N-O 3.24Å; K1317-S1423 PolarHBondContact O-N 2.92Å; K1317-S1423 PolarHBondContact O-OG 2.93Å |
| 1318 | P | 74 | Confident | 61.1 | Low | 16 Ų | 16 | 71.6 Ų | 71.6 | 10% | 0.104 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 134.8 | 170.4 | -12.3 | 26.3 | 0 | 0 | 0 | 111.9 | R1320 T1420 Q1421 Y1422 | P1318-R1320 PolarHBondContact O-N 3.44Å; P1318-T1420 HydrophobicContact CB-CG2 4.12Å; P1318-Q1421 CarbonylContact C-O 3.39Å; P1318-Q1421 WeakPolarHBondContact CA-O 3.39Å; P1318-Y1422 HydrophobicContact CB-CD1 4.45Å; P1318-Y1422 HydrophobicContact CB-CE1 4.3Å; P1318-Y1422 HydrophobicContact CG-CD1 4.29Å; P1318-Y1422 HydrophobicContact CG-CE1 3.89Å |
| 1319 | T | 66.8 | Low | 60.5 | Low | 52 Ų | 52 | 71 Ų | 71 | 32% | 0.319 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -9.4 | -168.5 | -27.2 | 0 | 0 | 0 | 0 | 114.8 | Q1421 Y1422 S1423 | T1319-Q1421 PolarHBondContact N-O 3.17Å; T1319-Q1421 WeakPolarHBondContact OG1-CB 3.46Å; T1319-Q1421 VanDerWaalsContact OG1-CG 3.27Å; T1319-Q1421 WeakPolarHBondContact OG1-CG 3.42Å; T1319-Q1421 PolarHBondContact OG1-O 2.93Å; T1319-Y1422 PolarHBondContact OG1-N 2.81Å; T1319-S1423 PolarHBondContact OG1-N 2.82Å |
| 1320 | R | 53.9 | Low | 59.5 | Low | 227 Ų | 227 | 75.2 Ų | 75.2 | 86% | 0.857 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.8 | 17.1 | -163.1 | -101.7 | -171.5 | -175.9 | -171.1 | 1.2 | 118.1 | P1318 | P1318-R1320 PolarHBondContact O-N 3.44Š|
| 1321 | E | 52 | Low | 58.5 | Low | 138 Ų | 138 | 79.7 Ų | 79.7 | 65% | 0.645 | 40% | 0.404 | S | S | * | . | trans | -134.1 | 116.6 | 169.9 | -73.4 | -179.6 | -158.2 | 0 | 0 | 111.4 | N1360 | E1321-N1360 PolarHBondContact OE1-ND2 3.32Å; E1321-N1360 PolarHBondContact OE2-ND2 3.11Å | ||
| 1322 | S | 39.8 | Very low | 57.3 | Low | 101 Ų | 101 | 80.4 Ų | 80.4 | 71% | 0.706 | 41% | 0.413 | S | S | * | . | trans | -89.4 | 148.5 | 176.3 | 58.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1323 | H | 39 | Very low | 55.9 | Low | 172 Ų | 172 | 82.5 Ų | 82.5 | 80% | 0.796 | 43% | 0.427 | S | S | * | . | trans | 91.1 | 81.4 | 171.4 | -59.4 | 27.4 | 0 | 0 | 0 | 114.9 | ||||
| 1324 | D | 39.6 | Very low | 54.5 | Low | 159 Ų | 159 | 86.2 Ų | 86.2 | 85% | 0.85 | 45% | 0.45 | S | S | * | . | -173.3 | 139.8 | 114.7 | -90.7 | -22.9 | 0 | 0 | 0 | 109.9 | E1326 | D1324-E1326 PolarHBondContact O-N 3Š| |||
| 1325 | D | 36.5 | Very low | 53 | Low | 167 Ų | 167 | 91.7 Ų | 91.7 | 89% | 0.893 | 47% | 0.471 | S | S | * | . | trans | -68.8 | 110.5 | -166 | -69.9 | -50.7 | 0 | 0 | 0 | 113.6 | ||||
| 1326 | E | 42.5 | Very low | 51.4 | Low | 134 Ų | 134 | 98 Ų | 98 | 63% | 0.626 | 50% | 0.497 | S | S | * | . | trans | -135.4 | 119.9 | 147.7 | -156.7 | 175 | -174.2 | 0 | 0 | 107.6 | D1324 I1328 | D1324-E1326 PolarHBondContact O-N 3Å; E1326-I1328 PolarHBondContact O-N 3.15Å | ||
| 1327 | I | 45.6 | Very low | 49.9 | Very low | 116 Ų | 116 | 100.8 Ų | 100.8 | 60% | 0.595 | 51% | 0.511 | S | S | * | . | trans | -63.1 | 88.3 | -164.4 | -61.7 | 165.2 | 0 | 0 | 0 | 110.4 | C1329 | I1327-C1329 PolarHBondContact O-N 2.85Š| ||
| 1328 | I | 47.2 | Very low | 48.3 | Very low | 61 Ų | 61 | 104.5 Ų | 104.5 | 31% | 0.313 | 53% | 0.529 | S | S | . | . | trans | -77.7 | 102.2 | 158.1 | -59.2 | 174.4 | 0 | 0 | 0 | 105.6 | K1317 E1326 S1330 | K1317-I1328 HydrophobicContact CD-CD1 3.92Å; E1326-I1328 PolarHBondContact O-N 3.15Å; I1328-S1330 PolarHBondContact O-N 3.49Å; I1328-S1330 VanDerWaalsContact O-N 3.17Å | ||
| 1329 | C | 50.3 | Low | 46.6 | Very low | 15 Ų | 15 | 113.3 Ų | 113.3 | 10% | 0.101 | 56% | 0.562 | C | S | . | * | trans | -40.6 | 116.5 | 170.8 | -89.9 | 0 | 0 | 0 | 0 | 111.8 | I1327 C1333 | I1327-C1329 PolarHBondContact O-N 2.85Å; C1329-C1333 HydrophobicContact CB-CB 3.33Å; C1329-C1333 VanDerWaalsContact SG-CB 3.53Å | ||
| 1330 | S | 47.9 | Very low | 45.5 | Very low | 91 Ų | 91 | 117.4 Ų | 117.4 | 64% | 0.636 | 58% | 0.582 | S | S | * | * | trans | -59.3 | 155.4 | 170.7 | 47.5 | 0 | 0 | 0 | 0 | 110.6 | I1328 G1332 C1333 | I1328-S1330 PolarHBondContact O-N 3.49Å; I1328-S1330 VanDerWaalsContact O-N 3.17Å; S1330-G1332 PolarHBondContact O-N 2.93Å; S1330-C1333 VanDerWaalsContact O-CB 3.29Å; S1330-C1333 WeakPolarHBondContact O-CB 3.47Å; S1330-C1333 PolarHBondContact O-N 2.87Å; S1330-C1333 PolarHBondContact O-SG 3.1Å | ||
| 1331 | E | 47.9 | Very low | 45.1 | Very low | 123 Ų | 123 | 110.4 Ų | 110.4 | 58% | 0.575 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -31.1 | 127.6 | -171 | -66.8 | -171.8 | 155.9 | 0 | 0 | 115.5 | C1333 K1438 | E1331-C1333 PolarHBondContact O-N 2.86Å; E1331-K1438 HydrophobicContact CG-CB 4.31Å; E1331-K1438 HydrophobicContact CG-CG 4.22Å; E1331-K1438 WeakPolarHBondContact OE1-CB 3.5Å; E1331-K1438 WeakPolarHBondContact OE1-CD 3.31Å |
| 1332 | G | 46.3 | Very low | 44.8 | Very low | 22 Ų | 22 | 107.1 Ų | 107.1 | 23% | 0.227 | 55% | 0.547 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77 | 13.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 116 | S1330 | S1330-G1332 PolarHBondContact O-N 2.93Š|
| 1333 | C | 49.2 | Very low | 45 | Very low | 44 Ų | 44 | 107.6 Ų | 107.6 | 30% | 0.297 | 55% | 0.546 | S | S | . | . | P | Polyproline II helix | trans | -83.1 | 125.4 | 177.6 | -93.3 | 0 | 0 | 0 | 0 | 113.1 | C1329 S1330 E1331 | C1329-C1333 HydrophobicContact CB-CB 3.33Å; C1329-C1333 VanDerWaalsContact SG-CB 3.53Å; S1330-C1333 VanDerWaalsContact O-CB 3.29Å; S1330-C1333 WeakPolarHBondContact O-CB 3.47Å; S1330-C1333 PolarHBondContact O-N 2.87Å; S1330-C1333 PolarHBondContact O-SG 3.1Å; E1331-C1333 PolarHBondContact O-N 2.86Å |
| 1334 | T | 48.7 | Very low | 45.2 | Very low | 78 Ų | 78 | 103.4 Ų | 103.4 | 48% | 0.479 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -96.9 | 124.2 | 167.7 | -15.1 | 0 | 0 | 0 | 0 | 109.3 | Y1434 | T1334-Y1434 WeakPolarHBondContact CA-O 3.47Š|
| 1335 | R | 50.8 | Low | 45.6 | Very low | 118 Ų | 118 | 98.9 Ų | 98.9 | 45% | 0.445 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 120.4 | 167.3 | -98.8 | -158.6 | -176.8 | -168.5 | -1.8 | 109.3 | M1337 G1433 Y1434 | R1335-M1337 PolarHBondContact O-N 3.13Å; R1335-G1433 WeakPolarHBondContact O-CA 3.45Å; R1335-Y1434 HydrophobicContact CB-CD1 4.33Å; R1335-Y1434 HydrophobicContact CB-CE1 3.75Å; R1335-Y1434 WeakPolarHBondContact CD-OH 3.32Å; R1335-Y1434 HydrophobicContact CG-CE1 4.44Å; R1335-Y1434 PolarHBondContact N-O 3.05Å; R1335-Y1434 PolarHBondContact O-N 3.28Å |
| 1336 | K | 46.5 | Very low | 46.1 | Very low | 141 Ų | 141 | 99.1 Ų | 99.1 | 61% | 0.613 | 49% | 0.494 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 121.8 | 168.5 | -74 | -173.6 | 179.6 | -179.9 | 0 | 108.9 | Y1174 E1261 Y1432 | Y1174-K1336 PolarHBondContact OH-NZ 3.04Å; E1261-K1336 IonicContact OE1-NZ 3.54Å; E1261-K1336 PolarHBondContact OE1-NZ 2.71Å; K1336-Y1432 WeakPolarHBondContact CA-O 3.37Å |
| 1337 | M | 47.2 | Very low | 46.6 | Very low | 59 Ų | 59 | 93.3 Ų | 93.3 | 29% | 0.291 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -77.4 | 134.3 | 170.3 | -80 | 178.4 | 71.6 | 0 | 0 | 109 | R1335 D1341 Y1432 | R1335-M1337 PolarHBondContact O-N 3.13Å; M1337-D1341 HydrophobicContact CE-CB 4.09Å; M1337-Y1432 PolarHBondContact N-O 2.78Å |
| 1338 | H | 41.7 | Very low | 46.9 | Very low | 160 Ų | 160 | 90.1 Ų | 90.1 | 74% | 0.741 | 45% | 0.453 | S | S | * | . | P | Polyproline II helix | trans | -67.8 | 137.8 | 174.4 | -109.9 | -93.4 | 0 | 0 | 0 | 109.3 | N1340 D1341 | H1338-N1340 PolarHBondContact O-N 2.89Å; H1338-D1341 PolarHBondContact O-N 2.87Å |
| 1339 | Y | 38.7 | Very low | 47 | Very low | 201 Ų | 201 | 94 Ų | 94 | 79% | 0.788 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -14.2 | -171 | -172.7 | -98.8 | 0 | 0 | 0 | 116.1 | ||
| 1340 | N | 43.5 | Very low | 47.1 | Very low | 138 Ų | 138 | 94.2 Ų | 94.2 | 74% | 0.738 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -2.2 | 178 | -73.2 | -18 | 0 | 0 | 0 | 114.9 | H1338 | H1338-N1340 PolarHBondContact O-N 2.89Š|
| 1341 | D | 46.4 | Very low | 47.6 | Very low | 81 Ų | 81 | 90.9 Ų | 90.9 | 43% | 0.433 | 45% | 0.448 | S | S | . | . | trans | -100.1 | 5.3 | -176 | -71.7 | -27.9 | 0 | 0 | 0 | 114.5 | M1337 H1338 T1343 D1344 | M1337-D1341 HydrophobicContact CE-CB 4.09Å; H1338-D1341 PolarHBondContact O-N 2.87Å; D1341-T1343 PolarHBondContact O-N 2.85Å; D1341-D1344 CarbonylContact O-C 3.6Å; D1341-D1344 PolarHBondContact O-N 3Å | ||
| 1342 | I | 45.7 | Very low | 48.2 | Very low | 68 Ų | 68 | 86.4 Ų | 86.4 | 35% | 0.349 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -18.1 | 179.5 | -67.4 | 171.4 | 0 | 0 | 0 | 112.3 | D1344 Y1384 | I1342-D1344 PolarHBondContact O-N 2.69Å; I1342-Y1384 PolarHBondContact O-OH 3.15Å |
| 1343 | T | 44.2 | Very low | 48.7 | Very low | 111 Ų | 111 | 89 Ų | 89 | 68% | 0.681 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -2.8 | 171.9 | 46.3 | 0 | 0 | 0 | 0 | 114.1 | D1341 | D1341-T1343 PolarHBondContact O-N 2.85Š|
| 1344 | D | 42.9 | Very low | 49.1 | Very low | 85 Ų | 85 | 90.6 Ų | 90.6 | 46% | 0.455 | 44% | 0.436 | S | S | . | . | trans | -139.2 | 57.7 | -173 | -85.4 | -22.8 | 0 | 0 | 0 | 109 | D1341 I1342 Y1346 | D1341-D1344 CarbonylContact O-C 3.6Å; D1341-D1344 PolarHBondContact O-N 3Å; I1342-D1344 PolarHBondContact O-N 2.69Å; D1344-Y1346 HydrophobicContact CB-CD2 3.69Å; D1344-Y1346 HydrophobicContact CB-CE2 3.87Å; D1344-Y1346 VanDerWaalsContact CG-CE2 3.45Å; D1344-Y1346 PolarHBondContact O-N 3.4Å; D1344-Y1346 WeakPolarHBondContact OD1-CE2 3.4Å | ||
| 1345 | I | 48.9 | Very low | 49.6 | Very low | 63 Ų | 63 | 87.4 Ų | 87.4 | 32% | 0.323 | 42% | 0.416 | S | S | . | . | trans | -66.4 | 69.3 | 158.1 | -54 | 176.6 | 0 | 0 | 0 | 107.1 | L1347 L1371 | I1345-L1347 VanDerWaalsContact C-N 3.25Å; I1345-L1347 PolarHBondContact O-N 3.45Å; I1345-L1371 HydrophobicContact CD1-CD1 3.65Å | ||
| 1346 | Y | 47 | Very low | 49.8 | Very low | 173 Ų | 173 | 87.9 Ų | 87.9 | 68% | 0.678 | 42% | 0.423 | S | S | * | . | trans | -70.2 | 93.3 | 159.6 | -79.3 | -83.5 | 0 | 0 | 0 | 105.2 | D1344 V1348 | D1344-Y1346 HydrophobicContact CB-CD2 3.69Å; D1344-Y1346 HydrophobicContact CB-CE2 3.87Å; D1344-Y1346 VanDerWaalsContact CG-CE2 3.45Å; D1344-Y1346 PolarHBondContact O-N 3.4Å; D1344-Y1346 WeakPolarHBondContact OD1-CE2 3.4Å; Y1346-V1348 PolarHBondContact O-N 3.34Å | ||
| 1347 | L | 52.3 | Low | 50.3 | Low | 12 Ų | 12 | 87 Ų | 87 | 6% | 0.063 | 42% | 0.424 | C | S | . | . | trans | -41 | 129.2 | 154.1 | -74.1 | 159 | 0 | 0 | 0 | 106.9 | V1311 I1345 E1349 E1364 L1366 H1410 Y1429 | V1311-L1347 HydrophobicContact CG1-CD2 4.38Å; I1345-L1347 VanDerWaalsContact C-N 3.25Å; I1345-L1347 PolarHBondContact O-N 3.45Å; L1347-E1349 PolarHBondContact O-N 3.42Å; L1347-E1364 WeakPolarHBondContact CA-OE2 3.29Å; L1347-E1364 HydrophobicContact CD2-CG 4.25Å; L1347-L1366 HydrophobicContact CD1-CB 4.35Å; L1347-L1366 HydrophobicContact CD1-CD1 4.21Å; L1347-H1410 HydrophobicContact CD1-CB 3.67Å; L1347-H1410 WeakPolarHBondContact CD1-ND1 3.48Å; L1347-Y1429 HydrophobicContact CD2-CE2 4.07Å | ||
| 1348 | V | 51.8 | Low | 50.8 | Low | 49 Ų | 49 | 92 Ų | 92 | 30% | 0.297 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -46.6 | 135.1 | -163.5 | 169.9 | 0 | 0 | 0 | 0 | 110.4 | Y1346 S1350 E1364 | Y1346-V1348 PolarHBondContact O-N 3.34Å; V1348-S1350 PolarHBondContact O-N 3.5Å; V1348-E1364 PolarHBondContact N-OE2 3.47Å |
| 1349 | E | 48.4 | Very low | 51.4 | Low | 143 Ų | 143 | 92.2 Ų | 92.2 | 67% | 0.668 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -41.4 | 106.2 | 176.2 | -71.7 | -168.8 | 152.1 | 0 | 0 | 111.4 | L1347 | L1347-E1349 PolarHBondContact O-N 3.42Š|
| 1350 | S | 52.9 | Low | 52.3 | Low | 18 Ų | 18 | 85.5 Ų | 85.5 | 13% | 0.126 | 42% | 0.421 | C | S | . | . | trans | 137.8 | 64.4 | 139.6 | 61.2 | 0 | 0 | 0 | 0 | 113.9 | V1348 Y1352 N1354 S1362 W1363 | V1348-S1350 PolarHBondContact O-N 3.5Å; S1350-Y1352 PolarHBondContact O-N 2.83Å; S1350-N1354 VanDerWaalsContact CB-CB 3.4Å; S1350-S1362 PolarHBondContact OG-O 2.8Å; S1350-W1363 WeakPolarHBondContact O-CA 3.28Å; S1350-W1363 WeakPolarHBondContact O-CB 3.48Å | ||
| 1351 | T | 58.1 | Low | 53.2 | Low | 22 Ų | 22 | 79.9 Ų | 79.9 | 14% | 0.135 | 40% | 0.396 | C | S | . | . | trans | -40.2 | 100.9 | 156.4 | 48.1 | 0 | 0 | 0 | 0 | 111 | K1353 N1354 H1410 | T1351-K1353 PolarHBondContact O-N 3.26Å; T1351-N1354 PolarHBondContact O-N 2.83Å; T1351-H1410 WeakPolarHBondContact CG2-ND1 3.24Å | ||
| 1352 | Y | 60.9 | Low | 54.3 | Low | 29 Ų | 29 | 77.4 Ų | 77.4 | 11% | 0.114 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 21.2 | -51.7 | 176.9 | -168.8 | -94.8 | 0 | 0 | 0 | 120.6 | S1350 N1354 R1355 H1356 W1363 C1412 G1414 P1415 | S1350-Y1352 PolarHBondContact O-N 2.83Å; Y1352-N1354 VanDerWaalsContact C-N 3.26Å; Y1352-N1354 PolarHBondContact O-N 2.74Å; Y1352-R1355 WeakPolarHBondContact O-CA 3.28Å; Y1352-R1355 VanDerWaalsContact O-CB 3.31Å; Y1352-R1355 WeakPolarHBondContact O-CB 3.36Å; Y1352-R1355 PolarHBondContact O-N 2.83Å; Y1352-H1356 PolarHBondContact O-N 2.86Å; Y1352-W1363 HydrophobicContact CD2-CD2 4.46Å; Y1352-C1412 WeakPolarHBondContact CB-SG 3.45Å; Y1352-G1414 VanDerWaalsContact CE2-CA 3.41Å; Y1352-G1414 WeakPolarHBondContact CE2-O 3.18Å; Y1352-G1414 VanDerWaalsContact CZ-C 3.45Å; Y1352-G1414 VanDerWaalsContact CZ-CA 3.49Å; Y1352-P1415 WeakPolarHBondContact CE2-O 3.27Å; Y1352-P1415 WeakPolarHBondContact OH-CD 3.38Å; Y1352-P1415 VanDerWaalsContact OH-CG 3.3Å; Y1352-P1415 WeakPolarHBondContact OH-CG 3.44Å; Y1352-P1415 VanDerWaalsContact OH-N 3.16Å; Y1352-P1415 PolarHBondContact OH-O 2.95Å |
| 1353 | K | 56.1 | Low | 55.6 | Low | 76 Ų | 76 | 74.3 Ų | 74.3 | 33% | 0.33 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.5 | -32.6 | 179.4 | -139.8 | 174.9 | -175.5 | 173.1 | 0 | 112.6 | T1351 H1356 N1357 Y1407 | T1351-K1353 PolarHBondContact O-N 3.26Å; K1353-H1356 PolarHBondContact O-N 3.42Å; K1353-N1357 PolarHBondContact O-N 3.43Å; K1353-N1357 VanDerWaalsContact O-N 3.15Å; K1353-Y1407 HydrophobicContact CD-CD1 4.49Å; K1353-Y1407 HydrophobicContact CD-CE1 4.47Å; K1353-Y1407 VanDerWaalsContact NZ-CD2 3.26Å |
| 1354 | N | 57.5 | Low | 57.1 | Low | 78 Ų | 78 | 69.3 Ų | 69.3 | 42% | 0.417 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -69.8 | -34.4 | 172.6 | -86.5 | -13 | 0 | 0 | 0 | 112.6 | S1350 T1351 Y1352 N1357 K1358 | S1350-N1354 VanDerWaalsContact CB-CB 3.4Å; T1351-N1354 PolarHBondContact O-N 2.83Å; Y1352-N1354 VanDerWaalsContact C-N 3.26Å; Y1352-N1354 PolarHBondContact O-N 2.74Å; N1354-N1357 PolarHBondContact O-N 2.85Å; N1354-K1358 WeakPolarHBondContact O-CB 3.08Å; N1354-K1358 PolarHBondContact O-N 3.05Å |
| 1355 | R | 60.9 | Low | 58.8 | Low | 11 Ų | 11 | 65.3 Ų | 65.3 | 4% | 0.042 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.7 | -42 | 168.1 | 163.7 | -174.8 | 174.5 | -131.9 | -11.1 | 111.5 | Y1352 N1357 K1358 K1359 G1361 W1363 Y1422 | Y1352-R1355 WeakPolarHBondContact O-CA 3.28Å; Y1352-R1355 VanDerWaalsContact O-CB 3.31Å; Y1352-R1355 WeakPolarHBondContact O-CB 3.36Å; Y1352-R1355 PolarHBondContact O-N 2.83Å; R1355-N1357 VanDerWaalsContact C-N 3.25Å; R1355-N1357 PolarHBondContact O-N 2.88Å; R1355-K1358 PolarHBondContact O-N 2.89Å; R1355-K1359 WeakPolarHBondContact O-CA 3.26Å; R1355-K1359 PolarHBondContact O-N 2.88Å; R1355-G1361 VanDerWaalsContact CD-O 3.32Å; R1355-G1361 WeakPolarHBondContact CD-O 3.41Å; R1355-G1361 WeakPolarHBondContact CG-O 3.31Å; R1355-W1363 HydrophobicContact CG-CE3 4.5Å; R1355-W1363 VanDerWaalsContact CZ-CZ3 3.41Å; R1355-Y1422 PolarHBondContact NH2-OH 2.89Å |
| 1356 | H | 54.7 | Low | 60.1 | Low | 128 Ų | 128 | 63.4 Ų | 63.4 | 59% | 0.593 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -62.5 | -34.4 | 179.3 | -161.4 | -64.3 | 0 | 0 | 0 | 111.8 | Y1352 K1353 | Y1352-H1356 PolarHBondContact O-N 2.86Å; K1353-H1356 PolarHBondContact O-N 3.42Å |
| 1357 | N | 56.7 | Low | 61.6 | Low | 122 Ų | 122 | 55.8 Ų | 55.8 | 65% | 0.652 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -80.6 | -38.1 | 176.5 | -72.4 | -16.9 | 0 | 0 | 0 | 113.7 | K1353 N1354 R1355 K1359 | K1353-N1357 PolarHBondContact O-N 3.43Å; K1353-N1357 VanDerWaalsContact O-N 3.15Å; N1354-N1357 PolarHBondContact O-N 2.85Å; R1355-N1357 VanDerWaalsContact C-N 3.25Å; R1355-N1357 PolarHBondContact O-N 2.88Å; N1357-K1359 VanDerWaalsContact C-N 3.29Å; N1357-K1359 PolarHBondContact O-N 3.34Å |
| 1358 | K | 58.2 | Low | 62.6 | Low | 165 Ų | 165 | 57.4 Ų | 57.4 | 72% | 0.717 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -86.1 | 5.9 | 179.3 | -68.5 | -172.8 | 176.7 | -177.8 | 0 | 114.1 | N1354 R1355 N1360 | N1354-K1358 WeakPolarHBondContact O-CB 3.08Å; N1354-K1358 PolarHBondContact O-N 3.05Å; R1355-K1358 PolarHBondContact O-N 2.89Å; K1358-N1360 PolarHBondContact O-N 2.99Å |
| 1359 | K | 54.4 | Low | 63.4 | Low | 164 Ų | 164 | 56.7 Ų | 56.7 | 71% | 0.713 | 28% | 0.281 | S | S | * | . | S | Bend | trans | 56.9 | -21.7 | -177.9 | -74.7 | -174.6 | 176.9 | -179.9 | 0 | 118 | R1355 N1357 K1417 | R1355-K1359 WeakPolarHBondContact O-CA 3.26Å; R1355-K1359 PolarHBondContact O-N 2.88Å; N1357-K1359 VanDerWaalsContact C-N 3.29Å; N1357-K1359 PolarHBondContact O-N 3.34Å; K1359-K1417 PolarHBondContact O-NZ 3.27Å |
| 1360 | N | 56 | Low | 64.3 | Low | 60 Ų | 60 | 50.8 Ų | 50.8 | 32% | 0.321 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -149.8 | 27 | -176.2 | -83.7 | -21.4 | 0 | 0 | 0 | 117 | E1321 K1358 K1417 | E1321-N1360 PolarHBondContact OE1-ND2 3.32Å; E1321-N1360 PolarHBondContact OE2-ND2 3.11Å; K1358-N1360 PolarHBondContact O-N 2.99Å; N1360-K1417 PolarHBondContact OD1-NZ 2.86Å |
| 1361 | G | 62.6 | Low | 64.6 | Low | 20 Ų | 20 | 51.1 Ų | 51.1 | 21% | 0.206 | 25% | 0.253 | C | S | . | . | trans | -78.8 | 153.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | R1355 | R1355-G1361 VanDerWaalsContact CD-O 3.32Å; R1355-G1361 WeakPolarHBondContact CD-O 3.41Å; R1355-G1361 WeakPolarHBondContact CG-O 3.31Å | ||
| 1362 | S | 70 | Confident | 64.4 | Low | 28 Ų | 28 | 56.1 Ų | 56.1 | 20% | 0.196 | 28% | 0.278 | C | S | . | . | trans | -71.2 | 152.8 | 165.6 | 49.1 | 0 | 0 | 0 | 0 | 111.2 | I1316 S1350 | I1316-S1362 CarbonylContact O-C 3.59Å; I1316-S1362 WeakPolarHBondContact O-CA 3.46Å; I1316-S1362 WeakPolarHBondContact O-CB 3.34Å; S1350-S1362 PolarHBondContact OG-O 2.8Å | ||
| 1363 | W | 73.1 | Confident | 63.8 | Low | 3 Ų | 3 | 60.3 Ų | 60.3 | 1% | 0.011 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 155.1 | 173.5 | 72.4 | 101.5 | 0 | 0 | 0 | 111.7 | I1316 S1350 Y1352 R1355 I1399 L1416 Y1422 | I1316-W1363 HydrophobicContact CB-CD2 4.12Å; I1316-W1363 HydrophobicContact CB-CE3 4.19Å; I1316-W1363 HydrophobicContact CB-CH2 3.93Å; I1316-W1363 HydrophobicContact CB-CZ2 3.85Å; I1316-W1363 HydrophobicContact CB-CZ3 4.1Å; I1316-W1363 HydrophobicContact CD1-CZ2 3.84Å; I1316-W1363 HydrophobicContact CG1-CZ2 4.46Å; I1316-W1363 HydrophobicContact CG2-CE3 4.3Å; I1316-W1363 HydrophobicContact CG2-CH2 3.28Å; I1316-W1363 HydrophobicContact CG2-CZ2 3.55Å; I1316-W1363 HydrophobicContact CG2-CZ3 3.7Å; I1316-W1363 PolarHBondContact N-O 3.11Å; I1316-W1363 PolarHBondContact O-N 2.93Å; S1350-W1363 WeakPolarHBondContact O-CA 3.28Å; S1350-W1363 WeakPolarHBondContact O-CB 3.48Å; Y1352-W1363 HydrophobicContact CD2-CD2 4.46Å; R1355-W1363 HydrophobicContact CG-CE3 4.5Å; R1355-W1363 VanDerWaalsContact CZ-CZ3 3.41Å; W1363-I1399 HydrophobicContact CZ2-CG2 4.49Å; W1363-L1416 HydrophobicContact CH2-CD2 3.54Å; W1363-L1416 HydrophobicContact CZ2-CD2 3.67Å; W1363-Y1422 AromaticContact CH2-CD1 3.97Å; W1363-Y1422 HydrophobicContact CH2-CD1 3.97Å; W1363-Y1422 AromaticContact CH2-CE1 3.62Å; W1363-Y1422 HydrophobicContact CH2-CE1 3.62Å; W1363-Y1422 HydrophobicContact CZ3-CD1 4.2Å; W1363-Y1422 AromaticContact CZ3-CE1 3.82Å; W1363-Y1422 HydrophobicContact CZ3-CE1 3.82Å |
| 1364 | E | 76.5 | Confident | 63.3 | Low | 6 Ų | 6 | 60.6 Ų | 60.6 | 3% | 0.028 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 132 | 179.3 | -171.4 | 163.8 | -128 | 0 | 0 | 110.3 | S1313 L1314 V1315 L1347 V1348 R1427 Y1429 | S1313-E1364 PolarHBondContact OG-OE1 2.69Å; L1314-E1364 CarbonylContact O-C 3.54Å; L1314-E1364 VanDerWaalsContact O-CA 3.29Å; L1314-E1364 WeakPolarHBondContact O-CA 3.46Å; V1315-E1364 HydrophobicContact CG2-CG 4.11Å; V1315-E1364 WeakPolarHBondContact CG2-OE1 3.49Å; L1347-E1364 WeakPolarHBondContact CA-OE2 3.29Å; L1347-E1364 HydrophobicContact CD2-CG 4.25Å; V1348-E1364 PolarHBondContact N-OE2 3.47Å; E1364-R1427 WeakPolarHBondContact OE1-CD 3.29Å; E1364-R1427 IonicContact OE1-CZ 3.6Å; E1364-R1427 IonicContact OE1-NE 3.68Å; E1364-R1427 IonicContact OE1-NH1 3.77Å; E1364-R1427 PolarHBondContact OE1-NH1 3.42Å; E1364-R1427 IonicContact OE2-NH1 2.71Å; E1364-Y1429 PolarHBondContact OE1-OH 2.87Å; E1364-Y1429 VanDerWaalsContact OE1-OH 3.08Å; E1364-Y1429 PolarHBondContact OE2-OH 2.86Å |
| 1365 | I | 77.9 | Confident | 62.1 | Low | 2 Ų | 2 | 66.1 Ų | 66.1 | 1% | 0.01 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 123.6 | 178 | -52.3 | 178.8 | 0 | 0 | 0 | 108.8 | S1313 L1314 I1316 I1367 F1397 N1413 | S1313-I1365 CarbonylContact C-O 3.5Å; S1313-I1365 WeakPolarHBondContact CA-O 3.36Å; S1313-I1365 WeakPolarHBondContact CB-O 3.36Å; L1314-I1365 PolarHBondContact N-O 2.9Å; L1314-I1365 PolarHBondContact O-N 2.84Å; I1316-I1365 HydrophobicContact CD1-CD1 3.34Å; I1316-I1365 HydrophobicContact CD1-CG1 3.86Å; I1365-I1367 HydrophobicContact CG2-CD1 4.3Å; I1365-I1367 PolarHBondContact O-N 2.89Å; I1365-F1397 HydrophobicContact CD1-CE1 4.28Å; I1365-F1397 HydrophobicContact CG2-CE1 4.34Å; I1365-F1397 HydrophobicContact CG2-CZ 3.83Å; I1365-N1413 HydrophobicContact CD1-CB 4.25Å |
| 1366 | L | 77.4 | Confident | 60.7 | Low | 23 Ų | 23 | 69.5 Ų | 69.5 | 12% | 0.12 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 121.9 | 173.7 | -175.9 | 62.8 | 0 | 0 | 0 | 110.4 | V1311 L1347 H1410 | V1311-L1366 HydrophobicContact CG1-CD1 3.44Å; V1311-L1366 VanDerWaalsContact CG1-CD1 3.44Å; L1347-L1366 HydrophobicContact CD1-CB 4.35Å; L1347-L1366 HydrophobicContact CD1-CD1 4.21Å; L1366-H1410 HydrophobicContact CB-CB 4.19Å; L1366-H1410 VanDerWaalsContact CB-O 3.31Å; L1366-H1410 WeakPolarHBondContact CB-O 3.35Å; L1366-H1410 HydrophobicContact CD2-CB 4.49Å; L1366-H1410 PolarHBondContact N-O 3.03Å |
| 1367 | I | 77.1 | Confident | 59.6 | Low | 12 Ų | 12 | 75.4 Ų | 75.4 | 6% | 0.062 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | -39.1 | -177.9 | -58.8 | -59.1 | 0 | 0 | 0 | 111.4 | L1297 L1299 V1312 L1314 I1365 K1395 F1397 | L1297-I1367 HydrophobicContact CD1-CG2 4.1Å; L1299-I1367 HydrophobicContact CD1-CG2 4.08Å; V1312-I1367 HydrophobicContact CG1-CB 4.45Å; V1312-I1367 WeakPolarHBondContact O-CA 3.38Å; V1312-I1367 WeakPolarHBondContact O-CB 3.37Å; V1312-I1367 PolarHBondContact O-N 3.12Å; L1314-I1367 HydrophobicContact CB-CD1 4.29Å; L1314-I1367 HydrophobicContact CB-CG1 4.3Å; L1314-I1367 HydrophobicContact CD1-CD1 3.63Å; L1314-I1367 HydrophobicContact CD1-CG1 4.14Å; L1314-I1367 HydrophobicContact CG-CD1 3.86Å; L1314-I1367 HydrophobicContact CG-CG1 3.82Å; I1365-I1367 HydrophobicContact CG2-CD1 4.3Å; I1365-I1367 PolarHBondContact O-N 2.89Å; I1367-K1395 PolarHBondContact O-NZ 2.85Å; I1367-F1397 HydrophobicContact CD1-CD1 3.92Å; I1367-F1397 HydrophobicContact CD1-CD2 3.72Å; I1367-F1397 HydrophobicContact CD1-CE1 3.66Å; I1367-F1397 HydrophobicContact CD1-CE2 3.44Å; I1367-F1397 VanDerWaalsContact CD1-CE2 3.44Å; I1367-F1397 HydrophobicContact CD1-CG 3.96Å; I1367-F1397 HydrophobicContact CD1-CZ 3.41Å; I1367-F1397 VanDerWaalsContact CD1-CZ 3.41Å |
| 1368 | H | 73.8 | Confident | 58.5 | Low | 47 Ų | 47 | 74.2 Ų | 74.2 | 22% | 0.218 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 143.7 | 177.9 | -154.4 | 76.6 | 0 | 0 | 0 | 110.2 | V1312 Y1390 Y1392 | V1312-H1368 HydrophobicContact CB-CB 4.37Å; V1312-H1368 PolarHBondContact N-O 2.82Å; V1312-H1368 PolarHBondContact O-N 2.69Å; V1312-H1368 VanDerWaalsContact O-N 3.09Å; H1368-Y1390 AromaticContact NE2-CD1 3.94Å; H1368-Y1392 HydrophobicContact CB-CE1 4.38Å; H1368-Y1392 AromaticContact CD2-CD1 3.83Å; H1368-Y1392 AromaticContact CD2-CE1 3.48Å; H1368-Y1392 VanDerWaalsContact CD2-CE1 3.48Å; H1368-Y1392 WeakPolarHBondContact CD2-CE1 2.9Å |
| 1369 | S | 68.8 | Low | 57.3 | Low | 33 Ų | 33 | 77.8 Ų | 77.8 | 23% | 0.231 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 127.2 | 175.1 | 177.3 | 0 | 0 | 0 | 0 | 109.1 | L1371 | S1369-L1371 WeakPolarHBondContact OG-CB 3.46Å; S1369-L1371 PolarHBondContact OG-N 2.69Å; S1369-L1371 PolarHBondContact OG-O 3.48Å |
| 1370 | R | 66.2 | Low | 56.3 | Low | 19 Ų | 19 | 81.6 Ų | 81.6 | 7% | 0.072 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -81 | -6.5 | 167 | -67.7 | -173.6 | 66.8 | -146.1 | -6.2 | 112.2 | I1306 Y1310 N1387 | I1306-R1370 PolarHBondContact O-NH1 2.82Å; Y1310-R1370 PolarHBondContact O-N 2.82Å; R1370-N1387 PolarHBondContact NE-O 3.17Å; R1370-N1387 PolarHBondContact NH2-O 2.92Å |
| 1371 | L | 61 | Low | 55.3 | Low | 25 Ų | 25 | 84.4 Ų | 84.4 | 13% | 0.131 | 43% | 0.434 | C | S | . | . | B | Isolated β-bridge | trans | -89.5 | 124 | 175.9 | -57.8 | 168.6 | 0 | 0 | 0 | 109.7 | V1311 I1345 S1369 L1373 Y1384 | V1311-L1371 HydrophobicContact CG2-CD1 3.81Å; I1345-L1371 HydrophobicContact CD1-CD1 3.65Å; S1369-L1371 WeakPolarHBondContact OG-CB 3.46Å; S1369-L1371 PolarHBondContact OG-N 2.69Å; S1369-L1371 PolarHBondContact OG-O 3.48Å; L1371-L1373 PolarHBondContact O-N 2.69Å; L1371-L1373 VanDerWaalsContact O-N 3.14Å; L1371-Y1384 HydrophobicContact CD2-CD1 3.77Å; L1371-Y1384 HydrophobicContact CD2-CE1 4.32Å; L1371-Y1384 HydrophobicContact CD2-CG 4.49Å |
| 1372 | I | 53 | Low | 53.9 | Low | 127 Ų | 127 | 89.2 Ų | 89.2 | 65% | 0.651 | 45% | 0.453 | S | S | * | . | trans | -75.2 | 98.3 | 171.4 | -57.6 | 173.3 | 0 | 0 | 0 | 107.8 | S1374 | I1372-S1374 PolarHBondContact O-N 3.29Š| ||
| 1373 | L | 49 | Very low | 52.4 | Low | 118 Ų | 118 | 95.2 Ų | 95.2 | 62% | 0.618 | 48% | 0.482 | S | S | * | . | trans | -82.2 | 89.4 | 176.3 | -70.9 | 164.8 | 0 | 0 | 0 | 109.6 | L1371 | L1371-L1373 PolarHBondContact O-N 2.69Å; L1371-L1373 VanDerWaalsContact O-N 3.14Å | ||
| 1374 | S | 43.7 | Very low | 50.8 | Low | 81 Ų | 81 | 100.2 Ų | 100.2 | 57% | 0.566 | 50% | 0.502 | S | S | * | . | trans | -82 | 120.7 | 169.4 | 60.2 | 0 | 0 | 0 | 0 | 110.1 | I1372 A1376 | I1372-S1374 PolarHBondContact O-N 3.29Å; S1374-A1376 PolarHBondContact O-N 2.89Å; S1374-A1376 VanDerWaalsContact O-N 3.14Å | ||
| 1375 | Q | 33.1 | Very low | 49.2 | Very low | 194 Ų | 194 | 109.8 Ų | 109.8 | 91% | 0.907 | 54% | 0.538 | S | S | * | . | trans | -68.8 | 105.7 | 172.5 | -73.3 | -177.6 | 10.6 | 0 | 0 | 110.1 | ||||
| 1376 | A | 31.9 | Very low | 47.8 | Very low | 82 Ų | 82 | 113.3 Ų | 113.3 | 68% | 0.678 | 56% | 0.555 | S | S | * | * | trans | -160.5 | 124.2 | 153.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | S1374 A1378 | S1374-A1376 PolarHBondContact O-N 2.89Å; S1374-A1376 VanDerWaalsContact O-N 3.14Å; A1376-A1378 PolarHBondContact O-N 2.83Å | ||
| 1377 | R | 32.1 | Very low | 46.5 | Very low | 253 Ų | 253 | 115.8 Ų | 115.8 | 96% | 0.955 | 57% | 0.568 | S | S | * | * | trans | -57.9 | 121.3 | 167.5 | -70.8 | 171.5 | 173.3 | 171.3 | -3.1 | 110.3 | ||||
| 1378 | A | 33 | Very low | 45.3 | Very low | 96 Ų | 96 | 123.3 Ų | 123.3 | 79% | 0.793 | 60% | 0.604 | S | S | * | * | trans | 152.6 | 112 | 135.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | A1376 | A1376-A1378 PolarHBondContact O-N 2.83Š| ||
| 1379 | R | 32.6 | Very low | 44.1 | Very low | 241 Ų | 241 | 126.2 Ų | 126.2 | 91% | 0.909 | 63% | 0.629 | S | S | * | * | trans | 22.2 | 125.7 | 150.4 | -68 | -175.2 | 177.4 | -175.7 | -0.6 | 121 | ||||
| 1380 | R | 32.8 | Very low | 43.5 | Very low | 243 Ų | 243 | 130.7 Ų | 130.7 | 92% | 0.917 | 64% | 0.642 | S | S | * | * | S | Bend | trans | 81 | 116 | 156.2 | -64.4 | -174.2 | -179.4 | -165.6 | 0.2 | 116.1 | ||
| 1381 | S | 35 | Very low | 43.3 | Very low | 119 Ų | 119 | 135.5 Ų | 135.5 | 83% | 0.832 | 67% | 0.668 | S | S | * | * | trans | 74.4 | 88 | 173.6 | -174.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1382 | M | 33.8 | Very low | 43.8 | Very low | 122 Ų | 122 | 134.7 Ų | 134.7 | 60% | 0.601 | 66% | 0.663 | S | S | * | * | trans | -105.5 | 109.4 | 171.6 | -132.3 | 171.6 | -162.7 | 0 | 0 | 108.6 | Y1384 | M1382-Y1384 PolarHBondContact O-N 2.75Š| ||
| 1383 | D | 38.8 | Very low | 44.6 | Very low | 153 Ų | 153 | 132.5 Ų | 132.5 | 82% | 0.818 | 66% | 0.66 | S | S | * | * | trans | -72.5 | 109.1 | 169.5 | -93 | -30.6 | 0 | 0 | 0 | 109 | R1385 | D1383-R1385 PolarHBondContact O-N 2.93Š| ||
| 1384 | Y | 39.7 | Very low | 45.8 | Very low | 108 Ų | 108 | 130 Ų | 130 | 42% | 0.424 | 65% | 0.647 | S | S | . | * | trans | -74.7 | 101.8 | 170.1 | -68.8 | -75.8 | 0 | 0 | 0 | 109.3 | I1342 L1371 M1382 M1386 | I1342-Y1384 PolarHBondContact O-OH 3.15Å; L1371-Y1384 HydrophobicContact CD2-CD1 3.77Å; L1371-Y1384 HydrophobicContact CD2-CE1 4.32Å; L1371-Y1384 HydrophobicContact CD2-CG 4.49Å; M1382-Y1384 PolarHBondContact O-N 2.75Å; Y1384-M1386 PolarHBondContact O-N 2.72Å | ||
| 1385 | R | 43 | Very low | 46.9 | Very low | 207 Ų | 207 | 129 Ų | 129 | 78% | 0.781 | 63% | 0.632 | S | S | * | * | trans | -81.3 | 104.1 | 165.5 | -81.3 | -168.4 | 177.8 | -163.6 | -0.6 | 109.5 | D1383 | D1383-R1385 PolarHBondContact O-N 2.93Š| ||
| 1386 | M | 49 | Very low | 48.9 | Very low | 77 Ų | 77 | 128 Ų | 128 | 38% | 0.379 | 62% | 0.621 | S | S | . | * | B | Isolated β-bridge | trans | -70.7 | 132.4 | 166.1 | -72.3 | -165.7 | -178.9 | 0 | 0 | 109.8 | Y1310 Y1384 E1388 | Y1310-M1386 HydrophobicContact CD1-CE 3.38Å; Y1310-M1386 HydrophobicContact CD1-SD 4.07Å; Y1310-M1386 HydrophobicContact CE1-CE 3.04Å; Y1310-M1386 HydrophobicContact CE1-SD 3.72Å; Y1310-M1386 HydrophobicContact CE2-CE 4.29Å; Y1310-M1386 HydrophobicContact CG-CE 4.18Å; Y1384-M1386 PolarHBondContact O-N 2.72Å; M1386-E1388 PolarHBondContact O-N 3.08Å |
| 1387 | N | 49.4 | Very low | 50.9 | Low | 74 Ų | 74 | 125.7 Ų | 125.7 | 40% | 0.396 | 60% | 0.596 | S | S | . | * | trans | -83.3 | 101 | 171.1 | -146.4 | 1.5 | 0 | 0 | 0 | 108.3 | R1370 S1389 Y1390 | R1370-N1387 PolarHBondContact NE-O 3.17Å; R1370-N1387 PolarHBondContact NH2-O 2.92Å; N1387-S1389 PolarHBondContact O-N 2.85Å; N1387-Y1390 WeakPolarHBondContact ND2-CD2 3.39Å | ||
| 1388 | E | 50.7 | Low | 53.1 | Low | 171 Ų | 171 | 115.5 Ų | 115.5 | 80% | 0.799 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | -15.3 | -178 | -71.4 | -174.4 | 174.1 | 0 | 0 | 113.8 | M1386 | M1386-E1388 PolarHBondContact O-N 3.08Š|
| 1389 | S | 49.1 | Very low | 55.2 | Low | 107 Ų | 107 | 111 Ų | 111 | 75% | 0.748 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | 5.9 | -173.4 | -36.8 | 0 | 0 | 0 | 0 | 115 | N1387 | N1387-S1389 PolarHBondContact O-N 2.85Š|
| 1390 | Y | 56.7 | Low | 57.3 | Low | 128 Ų | 128 | 99.6 Ų | 99.6 | 50% | 0.502 | 48% | 0.481 | S | S | . | . | trans | -105.3 | 107.3 | -168.1 | -117.9 | -91.2 | 0 | 0 | 0 | 112.6 | I1306 H1368 N1387 | I1306-Y1390 VanDerWaalsContact CD1-O 3.24Å; I1306-Y1390 WeakPolarHBondContact CD1-O 3.4Å; H1368-Y1390 AromaticContact NE2-CD1 3.94Å; N1387-Y1390 WeakPolarHBondContact ND2-CD2 3.39Å | ||
| 1391 | L | 62.5 | Low | 59 | Low | 120 Ų | 120 | 93 Ų | 93 | 63% | 0.628 | 46% | 0.46 | S | S | * | . | trans | -86.2 | 135.9 | 172.5 | -72.1 | 159.5 | 0 | 0 | 0 | 110.7 | N1303 I1306 | N1303-L1391 HydrophobicContact CB-CD2 3.98Å; N1303-L1391 WeakPolarHBondContact OD1-CA 3.37Å; N1303-L1391 WeakPolarHBondContact OD1-CD2 3.15Å; I1306-L1391 HydrophobicContact CD1-CD2 4.17Å | ||
| 1392 | Y | 70.6 | Confident | 60.1 | Low | 7 Ų | 7 | 91.8 Ų | 91.8 | 3% | 0.027 | 44% | 0.444 | C | S | . | . | trans | -63 | 139.7 | 167.2 | -60.1 | -77.8 | 0 | 0 | 0 | 110.3 | L1299 S1300 L1302 N1303 I1306 V1309 V1312 H1368 | L1299-Y1392 WeakPolarHBondContact O-CB 3.17Å; S1300-Y1392 WeakPolarHBondContact CA-O 3.31Å; L1302-Y1392 HydrophobicContact CB-CD2 3.83Å; L1302-Y1392 HydrophobicContact CB-CE2 4.21Å; L1302-Y1392 HydrophobicContact CB-CG 4.17Å; N1303-Y1392 PolarHBondContact ND2-O 2.76Å; N1303-Y1392 WeakPolarHBondContact OD1-CA 3.46Å; N1303-Y1392 WeakPolarHBondContact OD1-CB 3.39Å; N1303-Y1392 WeakPolarHBondContact OD1-CD2 3.45Å; N1303-Y1392 PolarHBondContact OD1-N 2.81Å; I1306-Y1392 HydrophobicContact CG1-CE2 4.19Å; V1309-Y1392 PolarHBondContact O-OH 2.92Å; V1312-Y1392 HydrophobicContact CG2-CE1 4.02Å; H1368-Y1392 HydrophobicContact CB-CE1 4.38Å; H1368-Y1392 AromaticContact CD2-CD1 3.83Å; H1368-Y1392 AromaticContact CD2-CE1 3.48Å; H1368-Y1392 VanDerWaalsContact CD2-CE1 3.48Å; H1368-Y1392 WeakPolarHBondContact CD2-CE1 2.9Å | ||
| 1393 | S | 69.6 | Low | 61.1 | Low | 82 Ų | 82 | 89.5 Ų | 89.5 | 57% | 0.573 | 45% | 0.452 | S | S | * | . | trans | -128.6 | 147.4 | 177.1 | 50.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1394 | D | 74.2 | Confident | 62 | Low | 64 Ų | 64 | 88.9 Ų | 88.9 | 34% | 0.342 | 45% | 0.453 | S | S | . | . | trans | -64.2 | 133.1 | 179 | -64.8 | -7 | 0 | 0 | 0 | 110.1 | Y1296 L1297 P1298 L1299 S1300 | Y1296-D1394 HydrophobicContact CE2-CB 4.33Å; Y1296-D1394 PolarHBondContact OH-OD2 3.01Å; L1297-D1394 WeakPolarHBondContact O-CA 3.45Å; P1298-D1394 VanDerWaalsContact CA-CG 3.5Å; P1298-D1394 WeakPolarHBondContact CA-OD1 3.38Å; L1299-D1394 PolarHBondContact N-OD1 2.93Å; L1299-D1394 VanDerWaalsContact N-OD1 3.12Å; S1300-D1394 WeakPolarHBondContact CA-OD1 3.42Å; S1300-D1394 WeakPolarHBondContact CB-OD1 3.38Å; S1300-D1394 PolarHBondContact N-OD1 2.91Å; S1300-D1394 VanDerWaalsContact OG-CG 3.25Å; S1300-D1394 PolarHBondContact OG-OD1 3.13Å; S1300-D1394 PolarHBondContact OG-OD2 2.82Å | ||
| 1395 | K | 67.8 | Low | 63 | Low | 61 Ų | 61 | 85.1 Ų | 85.1 | 27% | 0.265 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 147.2 | -177.7 | 68.7 | -179 | -177.3 | 179.6 | 0 | 113.2 | L1297 L1299 I1367 | L1297-K1395 HydrophobicContact CB-CG 4.47Å; L1297-K1395 PolarHBondContact N-O 3.2Å; L1297-K1395 PolarHBondContact O-N 2.89Å; L1299-K1395 HydrophobicContact CD1-CD 4.16Å; L1299-K1395 HydrophobicContact CD1-CG 4.12Å; I1367-K1395 PolarHBondContact O-NZ 2.85Å |
| 1396 | Y | 74.1 | Confident | 63.6 | Low | 173 Ų | 173 | 82.2 Ų | 82.2 | 68% | 0.678 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 131.6 | 163.4 | -68.1 | -88.1 | 0 | 0 | 0 | 108.8 | I1294 L1295 Y1296 | I1294-Y1396 HydrophobicContact CG2-CD1 4.25Å; L1295-Y1396 CarbonylContact O-C 3.51Å; L1295-Y1396 WeakPolarHBondContact O-CA 3.47Å; Y1296-Y1396 AromaticContact CD2-CD1 3.97Å; Y1296-Y1396 HydrophobicContact CD2-CD1 3.97Å; Y1296-Y1396 HydrophobicContact CD2-CD2 4.16Å; Y1296-Y1396 AromaticContact CD2-CE1 3.62Å; Y1296-Y1396 HydrophobicContact CD2-CE1 3.62Å; Y1296-Y1396 AromaticContact CD2-CE2 3.82Å; Y1296-Y1396 HydrophobicContact CD2-CE2 3.82Å; Y1296-Y1396 HydrophobicContact CD2-CG 4.23Å; Y1296-Y1396 AromaticContact CD2-CZ 3.54Å; Y1296-Y1396 HydrophobicContact CE2-CE2 4.08Å; Y1296-Y1396 HydrophobicContact CG-CE1 4.17Å |
| 1397 | F | 74.7 | Confident | 63.7 | Low | 34 Ų | 34 | 87.5 Ų | 87.5 | 15% | 0.149 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 117.8 | 177.4 | -166.8 | -94.3 | 0 | 0 | 0 | 109.6 | L1295 L1297 L1314 I1365 I1367 I1399 | L1295-F1397 PolarHBondContact N-O 2.84Å; L1295-F1397 PolarHBondContact O-N 2.83Å; L1297-F1397 HydrophobicContact CD1-CB 3.73Å; L1297-F1397 HydrophobicContact CD1-CG 4.33Å; L1297-F1397 HydrophobicContact CG-CB 4.34Å; L1314-F1397 HydrophobicContact CD1-CD1 3.61Å; L1314-F1397 HydrophobicContact CD1-CE1 3.96Å; L1314-F1397 HydrophobicContact CD1-CG 4.34Å; I1365-F1397 HydrophobicContact CD1-CE1 4.28Å; I1365-F1397 HydrophobicContact CG2-CE1 4.34Å; I1365-F1397 HydrophobicContact CG2-CZ 3.83Å; I1367-F1397 HydrophobicContact CD1-CD1 3.92Å; I1367-F1397 HydrophobicContact CD1-CD2 3.72Å; I1367-F1397 HydrophobicContact CD1-CE1 3.66Å; I1367-F1397 HydrophobicContact CD1-CE2 3.44Å; I1367-F1397 VanDerWaalsContact CD1-CE2 3.44Å; I1367-F1397 HydrophobicContact CD1-CG 3.96Å; I1367-F1397 HydrophobicContact CD1-CZ 3.41Å; I1367-F1397 VanDerWaalsContact CD1-CZ 3.41Å; F1397-I1399 HydrophobicContact CD1-CG1 4.04Å; F1397-I1399 HydrophobicContact CE1-CG1 4.17Å |
| 1398 | I | 77.3 | Confident | 63.8 | Low | 39 Ų | 39 | 89.6 Ų | 89.6 | 20% | 0.2 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 111.5 | -179.3 | -55.8 | 178.5 | 0 | 0 | 0 | 107.7 | M1292 I1294 E1401 N1413 | M1292-I1398 HydrophobicContact CB-CG2 4.04Å; M1292-I1398 HydrophobicContact CG-CG2 4.38Å; M1292-I1398 HydrophobicContact SD-CG2 3.8Å; I1294-I1398 HydrophobicContact CD1-CD1 4.16Å; I1294-I1398 HydrophobicContact CD1-CG1 4.12Å; I1294-I1398 HydrophobicContact CG1-CG1 4.01Å; I1294-I1398 HydrophobicContact CG1-CG2 4.26Å; I1294-I1398 HydrophobicContact CG2-CG1 4.25Å; I1398-E1401 HydrophobicContact CB-CB 4.13Å; I1398-E1401 HydrophobicContact CB-CG 4.48Å; I1398-E1401 HydrophobicContact CG2-CB 3.9Å; I1398-E1401 HydrophobicContact CG2-CG 4.33Å; I1398-N1413 PolarHBondContact O-ND2 2.82Å |
| 1399 | I | 77.8 | Confident | 64.1 | Low | 0 Ų | 0 | 83.2 Ų | 83.2 | 0% | 0 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 125.1 | 171.4 | -56.8 | 174.4 | 0 | 0 | 0 | 108.4 | M1292 I1293 L1295 L1314 I1316 W1363 F1397 N1413 L1416 I1424 | M1292-I1399 CarbonylContact C-O 3.53Å; M1292-I1399 WeakPolarHBondContact CA-O 3.39Å; M1292-I1399 WeakPolarHBondContact CB-O 3.43Å; I1293-I1399 HydrophobicContact CB-CB 4.38Å; I1293-I1399 PolarHBondContact N-O 3.31Å; I1293-I1399 PolarHBondContact O-N 3.32Å; L1295-I1399 HydrophobicContact CD1-CD1 3.42Å; L1295-I1399 VanDerWaalsContact CD1-CD1 3.42Å; L1295-I1399 HydrophobicContact CD1-CG1 4.03Å; L1295-I1399 HydrophobicContact CG-CD1 4.31Å; L1314-I1399 HydrophobicContact CD1-CD1 4.44Å; I1316-I1399 HydrophobicContact CD1-CD1 3.89Å; I1316-I1399 HydrophobicContact CD1-CG1 4.29Å; I1316-I1399 HydrophobicContact CD1-CG2 3.78Å; I1316-I1399 HydrophobicContact CG1-CD1 4.14Å; W1363-I1399 HydrophobicContact CZ2-CG2 4.49Å; F1397-I1399 HydrophobicContact CD1-CG1 4.04Å; F1397-I1399 HydrophobicContact CE1-CG1 4.17Å; I1399-N1413 WeakPolarHBondContact CA-OD1 3.43Å; I1399-L1416 HydrophobicContact CB-CD1 4.34Å; I1399-L1416 HydrophobicContact CG2-CD1 3.94Å; I1399-L1416 HydrophobicContact CG2-CD2 3.8Å; I1399-L1416 HydrophobicContact CG2-CG 4.08Å; I1399-I1424 HydrophobicContact CD1-CD1 3.86Å; I1399-I1424 HydrophobicContact CD1-CG1 4.27Å; I1399-I1424 HydrophobicContact CD1-CG2 4.31Å |
| 1400 | G | 75.6 | Confident | 64.6 | Low | 3 Ų | 3 | 81.3 Ų | 81.3 | 3% | 0.031 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 103.6 | 7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | M1292 N1413 G1414 | M1292-G1400 WeakPolarHBondContact CE-O 3.38Å; G1400-N1413 PolarHBondContact N-OD1 3.1Å; G1400-G1414 WeakPolarHBondContact CA-O 3.29Å |
| 1401 | E | 69.2 | Low | 64.8 | Low | 104 Ų | 104 | 81.8 Ų | 81.8 | 49% | 0.486 | 43% | 0.43 | S | S | . | . | trans | -75 | -27.8 | -169.2 | -164.8 | 175.6 | -164.8 | 0 | 0 | 115.2 | M1292 I1398 | M1292-E1401 HydrophobicContact SD-CB 4.33Å; I1398-E1401 HydrophobicContact CB-CB 4.13Å; I1398-E1401 HydrophobicContact CB-CG 4.48Å; I1398-E1401 HydrophobicContact CG2-CB 3.9Å; I1398-E1401 HydrophobicContact CG2-CG 4.33Å | ||
| 1402 | N | 58.9 | Low | 65.1 | Low | 94 Ų | 94 | 76.7 Ų | 76.7 | 50% | 0.503 | 41% | 0.405 | S | S | . | . | trans | -107.9 | 117.3 | -167.4 | -77.4 | -30.4 | 0 | 0 | 0 | 114.1 | V1404 N1413 | N1402-V1404 PolarHBondContact O-N 2.72Å; N1402-N1413 PolarHBondContact N-O 3.23Å | ||
| 1403 | G | 53.9 | Low | 65.2 | Low | 74 Ų | 74 | 76.7 Ų | 76.7 | 76% | 0.763 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -80 | -1 | -170.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||
| 1404 | V | 59 | Low | 65.3 | Low | 139 Ų | 139 | 72.8 Ų | 72.8 | 84% | 0.842 | 38% | 0.378 | S | S | * | . | trans | -148.8 | 118.4 | 176.6 | -172.5 | 0 | 0 | 0 | 0 | 110.8 | N1402 | N1402-V1404 PolarHBondContact O-N 2.72Š| ||
| 1405 | C | 59.6 | Low | 65.2 | Low | 29 Ų | 29 | 72.5 Ų | 72.5 | 20% | 0.196 | 38% | 0.379 | C | S | . | . | trans | -107 | 128 | 177.6 | -70.4 | 0 | 0 | 0 | 0 | 113.6 | C1412 | C1405-C1412 HydrophobicContact CB-CB 3.85Å; C1405-C1412 WeakPolarHBondContact CB-SG 3.44Å; C1405-C1412 WeakPolarHBondContact SG-CB 3.08Å; C1405-C1412 CovalentContact SG-SG 2.02Å; C1405-C1412 PolarHBondContact SG-SG 2.84Å | ||
| 1406 | L | 55.4 | Low | 65.7 | Low | 147 Ų | 147 | 69.9 Ų | 69.9 | 77% | 0.77 | 37% | 0.369 | S | S | * | . | trans | -71.5 | 150 | 170.9 | -67.1 | 165.6 | 0 | 0 | 0 | 110.8 | N1408 | L1406-N1408 PolarHBondContact O-N 2.76Š| ||
| 1407 | Y | 50.6 | Low | 65.7 | Low | 187 Ų | 187 | 65.7 Ų | 65.7 | 73% | 0.733 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 133 | -177.5 | -94.9 | -89 | 0 | 0 | 0 | 111.7 | K1353 S1409 | K1353-Y1407 HydrophobicContact CD-CD1 4.49Å; K1353-Y1407 HydrophobicContact CD-CE1 4.47Å; K1353-Y1407 VanDerWaalsContact NZ-CD2 3.26Å; Y1407-S1409 PolarHBondContact O-N 3.19Å |
| 1408 | N | 52.5 | Low | 65.4 | Low | 119 Ų | 119 | 67 Ų | 67 | 64% | 0.636 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | 28.9 | 173.8 | -63.7 | -3.7 | 0 | 0 | 0 | 117 | L1406 | L1406-N1408 PolarHBondContact O-N 2.76Š|
| 1409 | S | 57.4 | Low | 65.1 | Low | 37 Ų | 37 | 68.2 Ų | 68.2 | 26% | 0.259 | 38% | 0.381 | S | S | . | . | trans | -84.6 | 126.2 | 169.2 | 175.4 | 0 | 0 | 0 | 0 | 111.7 | Y1407 E1411 C1412 | Y1407-S1409 PolarHBondContact O-N 3.19Å; S1409-E1411 PolarHBondContact O-N 3.17Å; S1409-E1411 PolarHBondContact OG-N 2.83Å; S1409-E1411 VanDerWaalsContact OG-N 3.14Å; S1409-C1412 PolarHBondContact O-N 2.86Å | ||
| 1410 | H | 59.8 | Low | 64.9 | Low | 66 Ų | 66 | 69.8 Ų | 69.8 | 31% | 0.306 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -7.2 | 172 | -65.3 | -73.4 | 0 | 0 | 0 | 113.5 | L1347 T1351 L1366 | L1347-H1410 HydrophobicContact CD1-CB 3.67Å; L1347-H1410 WeakPolarHBondContact CD1-ND1 3.48Å; T1351-H1410 WeakPolarHBondContact CG2-ND1 3.24Å; L1366-H1410 HydrophobicContact CB-CB 4.19Å; L1366-H1410 VanDerWaalsContact CB-O 3.31Å; L1366-H1410 WeakPolarHBondContact CB-O 3.35Å; L1366-H1410 HydrophobicContact CD2-CB 4.49Å; L1366-H1410 PolarHBondContact N-O 3.03Å |
| 1411 | E | 61.1 | Low | 65 | Low | 139 Ų | 139 | 72 Ų | 72 | 65% | 0.65 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | 3.8 | 179.7 | -57.8 | 173.9 | 167.4 | 0 | 0 | 111.9 | S1409 N1413 | S1409-E1411 PolarHBondContact O-N 3.17Å; S1409-E1411 PolarHBondContact OG-N 2.83Å; S1409-E1411 VanDerWaalsContact OG-N 3.14Å; E1411-N1413 PolarHBondContact O-N 3.48Å |
| 1412 | C | 68.1 | Low | 65.6 | Low | 13 Ų | 13 | 67 Ų | 67 | 9% | 0.088 | 38% | 0.377 | C | S | . | . | trans | -71.2 | 116.9 | -175.2 | 170.7 | 0 | 0 | 0 | 0 | 112.4 | Y1352 C1405 S1409 | Y1352-C1412 WeakPolarHBondContact CB-SG 3.45Å; C1405-C1412 HydrophobicContact CB-CB 3.85Å; C1405-C1412 WeakPolarHBondContact CB-SG 3.44Å; C1405-C1412 WeakPolarHBondContact SG-CB 3.08Å; C1405-C1412 CovalentContact SG-SG 2.02Å; C1405-C1412 PolarHBondContact SG-SG 2.84Å; S1409-C1412 PolarHBondContact O-N 2.86Å | ||
| 1413 | N | 73.4 | Confident | 66.4 | Low | 6 Ų | 6 | 63.4 Ų | 63.4 | 3% | 0.032 | 36% | 0.359 | C | S | . | . | trans | -115.1 | 69.1 | 179.5 | -179.1 | 28.2 | 0 | 0 | 0 | 111 | I1365 I1398 I1399 G1400 N1402 E1411 | I1365-N1413 HydrophobicContact CD1-CB 4.25Å; I1398-N1413 PolarHBondContact O-ND2 2.82Å; I1399-N1413 WeakPolarHBondContact CA-OD1 3.43Å; G1400-N1413 PolarHBondContact N-OD1 3.1Å; N1402-N1413 PolarHBondContact N-O 3.23Å; E1411-N1413 PolarHBondContact O-N 3.48Å | ||
| 1414 | G | 70.8 | Confident | 67.7 | Low | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.01 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -81 | 166.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y1352 G1400 | Y1352-G1414 VanDerWaalsContact CE2-CA 3.41Å; Y1352-G1414 WeakPolarHBondContact CE2-O 3.18Å; Y1352-G1414 VanDerWaalsContact CZ-C 3.45Å; Y1352-G1414 VanDerWaalsContact CZ-CA 3.49Å; G1400-G1414 WeakPolarHBondContact CA-O 3.29Å |
| 1415 | P | 72.7 | Confident | 68.5 | Low | 57 Ų | 57 | 53.8 Ų | 53.8 | 37% | 0.37 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 149.6 | -169.2 | 21.8 | -32.7 | 0 | 0 | 0 | 115.1 | Y1352 | Y1352-P1415 WeakPolarHBondContact CE2-O 3.27Å; Y1352-P1415 WeakPolarHBondContact OH-CD 3.38Å; Y1352-P1415 VanDerWaalsContact OH-CG 3.3Å; Y1352-P1415 WeakPolarHBondContact OH-CG 3.44Å; Y1352-P1415 VanDerWaalsContact OH-N 3.16Å; Y1352-P1415 PolarHBondContact OH-O 2.95Å |
| 1416 | L | 78.2 | Confident | 69.4 | Low | 7 Ų | 7 | 52.8 Ų | 52.8 | 4% | 0.037 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -88.9 | 150.2 | 175.4 | -59.4 | 177.4 | 0 | 0 | 0 | 111.6 | S1291 I1293 W1363 I1399 Y1422 T1444 | S1291-L1416 WeakPolarHBondContact O-CB 3.46Å; S1291-L1416 PolarHBondContact O-N 2.79Å; I1293-L1416 HydrophobicContact CB-CD1 3.99Å; I1293-L1416 HydrophobicContact CD1-CD1 3.45Å; I1293-L1416 VanDerWaalsContact CD1-CD1 3.45Å; I1293-L1416 HydrophobicContact CG1-CD1 3.49Å; I1293-L1416 VanDerWaalsContact CG1-CD1 3.49Å; W1363-L1416 HydrophobicContact CH2-CD2 3.54Å; W1363-L1416 HydrophobicContact CZ2-CD2 3.67Å; I1399-L1416 HydrophobicContact CB-CD1 4.34Å; I1399-L1416 HydrophobicContact CG2-CD1 3.94Å; I1399-L1416 HydrophobicContact CG2-CD2 3.8Å; I1399-L1416 HydrophobicContact CG2-CG 4.08Å; L1416-Y1422 HydrophobicContact CB-CE2 3.93Å; L1416-Y1422 HydrophobicContact CD2-CD1 4.41Å; L1416-Y1422 HydrophobicContact CD2-CD2 4.33Å; L1416-Y1422 HydrophobicContact CD2-CE1 4.07Å; L1416-Y1422 HydrophobicContact CD2-CE2 3.99Å; L1416-Y1422 HydrophobicContact CG-CE2 4.39Å; L1416-T1444 HydrophobicContact CB-CG2 3.74Å; L1416-T1444 HydrophobicContact CD1-CG2 3.97Å |
| 1417 | K | 73.7 | Confident | 70.4 | Confident | 84 Ų | 84 | 46.2 Ų | 46.2 | 37% | 0.365 | 24% | 0.243 | S | C | . | . | P | Polyproline II helix | trans | -72.9 | 136.5 | 174.9 | -71.8 | 179.2 | -178.1 | 176.1 | 0 | 108.4 | K1359 N1360 T1420 Y1422 T1444 | K1359-K1417 PolarHBondContact O-NZ 3.27Å; N1360-K1417 PolarHBondContact OD1-NZ 2.86Å; K1417-T1420 WeakPolarHBondContact CB-OG1 3.4Å; K1417-T1420 WeakPolarHBondContact O-CB 3.42Å; K1417-Y1422 WeakPolarHBondContact CB-OH 3.22Å; K1417-Y1422 PolarHBondContact N-OH 3.14Å; K1417-T1444 WeakPolarHBondContact O-CB 3.33Å; K1417-T1444 PolarHBondContact O-OG1 2.94Å |
| 1418 | P | 68.7 | Low | 71.6 | Confident | 62 Ų | 62 | 37.9 Ų | 37.9 | 40% | 0.403 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 159.4 | 171.9 | -21 | 31.6 | 0 | 0 | 0 | 112.2 | T1420 T1444 | P1418-T1420 PolarHBondContact O-N 2.82Å; P1418-T1420 PolarHBondContact O-OG1 3.02Å; P1418-T1444 VanDerWaalsContact C-OG1 3.29Å |
| 1419 | A | 71 | Confident | 72.5 | Confident | 64 Ų | 64 | 32.9 Ų | 32.9 | 53% | 0.529 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 23.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | T1444 L1445 T1446 | A1419-T1444 VanDerWaalsContact CA-O 3.29Å; A1419-T1444 WeakPolarHBondContact CA-O 3.39Å; A1419-T1444 PolarHBondContact N-O 2.83Å; A1419-T1444 PolarHBondContact N-OG1 2.84Å; A1419-L1445 PolarHBondContact N-O 3.35Å; A1419-T1446 HydrophobicContact CB-CG2 3.57Å |
| 1420 | T | 73.1 | Confident | 73 | Confident | 33 Ų | 33 | 32.3 Ų | 32.3 | 20% | 0.202 | 18% | 0.179 | C | C | . | . | trans | -117.1 | 128.5 | -171.2 | -55.1 | 0 | 0 | 0 | 0 | 110 | P1318 K1417 P1418 Y1422 T1444 | P1318-T1420 HydrophobicContact CB-CG2 4.12Å; K1417-T1420 WeakPolarHBondContact CB-OG1 3.4Å; K1417-T1420 WeakPolarHBondContact O-CB 3.42Å; P1418-T1420 PolarHBondContact O-N 2.82Å; P1418-T1420 PolarHBondContact O-OG1 3.02Å; T1420-Y1422 HydrophobicContact CG2-CD2 4.31Å; T1420-Y1422 HydrophobicContact CG2-CE2 3.79Å; T1420-Y1422 WeakPolarHBondContact O-CD2 3.21Å; T1420-T1444 PolarHBondContact N-OG1 3.45Å; T1420-T1444 PolarHBondContact O-N 2.95Å; T1420-T1444 VanDerWaalsContact O-N 3.1Å; T1420-T1444 PolarHBondContact O-OG1 2.85Å; T1420-T1444 VanDerWaalsContact O-OG1 3.09Å | ||
| 1421 | Q | 78.2 | Confident | 72.9 | Confident | 50 Ų | 50 | 32.1 Ų | 32.1 | 23% | 0.234 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 133.3 | 170.2 | -167.2 | 177.5 | -6.9 | 0 | 0 | 109.2 | P1318 T1319 H1441 G1442 H1443 | P1318-Q1421 CarbonylContact C-O 3.39Å; P1318-Q1421 WeakPolarHBondContact CA-O 3.39Å; T1319-Q1421 PolarHBondContact N-O 3.17Å; T1319-Q1421 WeakPolarHBondContact OG1-CB 3.46Å; T1319-Q1421 VanDerWaalsContact OG1-CG 3.27Å; T1319-Q1421 WeakPolarHBondContact OG1-CG 3.42Å; T1319-Q1421 PolarHBondContact OG1-O 2.93Å; Q1421-H1441 HydrophobicContact CG-CB 4.41Å; Q1421-H1441 PolarHBondContact NE2-CD2 2.84Å; Q1421-H1441 VanDerWaalsContact NE2-CD2 3.31Å; Q1421-G1442 CarbonylContact C-O 3.57Å; Q1421-G1442 WeakPolarHBondContact CA-O 3.48Å; Q1421-H1443 VanDerWaalsContact CD-NE2 3.27Å; Q1421-H1443 WeakPolarHBondContact CG-CE1 3.36Å; Q1421-H1443 WeakPolarHBondContact CG-NE2 3.44Å; Q1421-H1443 PolarHBondContact NE2-NE2 2.55Å; Q1421-H1443 PolarHBondContact OE1-CE1 3.09Å |
| 1422 | Y | 80.6 | Confident | 72.6 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 131.4 | 175.7 | -70.9 | -88 | 0 | 0 | 0 | 109.8 | I1293 I1316 K1317 P1318 T1319 R1355 W1363 L1416 K1417 T1420 H1441 G1442 T1444 | I1293-Y1422 HydrophobicContact CD1-CD2 4.26Å; I1316-Y1422 HydrophobicContact CG2-CD1 3.78Å; I1316-Y1422 HydrophobicContact CG2-CG 4.31Å; K1317-Y1422 CarbonylContact O-C 3.58Å; K1317-Y1422 WeakPolarHBondContact O-CA 3.34Å; P1318-Y1422 HydrophobicContact CB-CD1 4.45Å; P1318-Y1422 HydrophobicContact CB-CE1 4.3Å; P1318-Y1422 HydrophobicContact CG-CD1 4.29Å; P1318-Y1422 HydrophobicContact CG-CE1 3.89Å; T1319-Y1422 PolarHBondContact OG1-N 2.81Å; R1355-Y1422 PolarHBondContact NH2-OH 2.89Å; W1363-Y1422 AromaticContact CH2-CD1 3.97Å; W1363-Y1422 HydrophobicContact CH2-CD1 3.97Å; W1363-Y1422 AromaticContact CH2-CE1 3.62Å; W1363-Y1422 HydrophobicContact CH2-CE1 3.62Å; W1363-Y1422 HydrophobicContact CZ3-CD1 4.2Å; W1363-Y1422 AromaticContact CZ3-CE1 3.82Å; W1363-Y1422 HydrophobicContact CZ3-CE1 3.82Å; L1416-Y1422 HydrophobicContact CB-CE2 3.93Å; L1416-Y1422 HydrophobicContact CD2-CD1 4.41Å; L1416-Y1422 HydrophobicContact CD2-CD2 4.33Å; L1416-Y1422 HydrophobicContact CD2-CE1 4.07Å; L1416-Y1422 HydrophobicContact CD2-CE2 3.99Å; L1416-Y1422 HydrophobicContact CG-CE2 4.39Å; K1417-Y1422 WeakPolarHBondContact CB-OH 3.22Å; K1417-Y1422 PolarHBondContact N-OH 3.14Å; T1420-Y1422 HydrophobicContact CG2-CD2 4.31Å; T1420-Y1422 HydrophobicContact CG2-CE2 3.79Å; T1420-Y1422 WeakPolarHBondContact O-CD2 3.21Å; Y1422-H1441 CarbonylContact O-C 3.6Å; Y1422-H1441 WeakPolarHBondContact O-CA 3.17Å; Y1422-G1442 PolarHBondContact N-O 2.85Å; Y1422-G1442 PolarHBondContact O-N 3.46Å; Y1422-T1444 HydrophobicContact CD2-CG2 4.4Å; Y1422-T1444 HydrophobicContact CE2-CG2 4.15Å |
| 1423 | S | 77.3 | Confident | 72.4 | Confident | 17 Ų | 17 | 28.6 Ų | 28.6 | 12% | 0.119 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 128.5 | 162.1 | 50.5 | 0 | 0 | 0 | 0 | 109.7 | I1316 K1317 T1319 I1440 | I1316-S1423 WeakPolarHBondContact CA-O 3.4Å; K1317-S1423 WeakPolarHBondContact CB-OG 3.39Å; K1317-S1423 PolarHBondContact N-O 3.24Å; K1317-S1423 PolarHBondContact O-N 2.92Å; K1317-S1423 PolarHBondContact O-OG 2.93Å; T1319-S1423 PolarHBondContact OG1-N 2.82Å; S1423-I1440 CarbonylContact C-O 3.56Å; S1423-I1440 WeakPolarHBondContact CA-O 3.3Å |
| 1424 | I | 80.6 | Confident | 72.3 | Confident | 3 Ų | 3 | 29.5 Ų | 29.5 | 2% | 0.015 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 130.8 | -175.8 | -57 | 162.7 | 0 | 0 | 0 | 108.2 | I1293 L1295 L1314 V1315 I1316 I1399 I1440 | I1293-I1424 HydrophobicContact CD1-CD1 4.28Å; I1293-I1424 HydrophobicContact CG2-CD1 4.19Å; L1295-I1424 HydrophobicContact CD1-CD1 4.4Å; L1295-I1424 HydrophobicContact CD1-CG2 3.99Å; L1295-I1424 HydrophobicContact CD2-CD1 4.42Å; L1314-I1424 HydrophobicContact CD2-CG2 3.97Å; V1315-I1424 CarbonylContact O-C 3.58Å; V1315-I1424 WeakPolarHBondContact O-CA 3.32Å; I1316-I1424 HydrophobicContact CG2-CG1 4.47Å; I1399-I1424 HydrophobicContact CD1-CD1 3.86Å; I1399-I1424 HydrophobicContact CD1-CG1 4.27Å; I1399-I1424 HydrophobicContact CD1-CG2 4.31Å; I1424-I1440 PolarHBondContact N-O 2.82Å; I1424-I1440 PolarHBondContact O-N 2.56Å |
| 1425 | Q | 76.5 | Confident | 72 | Confident | 9 Ų | 9 | 29.6 Ų | 29.6 | 4% | 0.042 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 138.5 | 175.6 | -68.6 | 178.1 | -54 | 0 | 0 | 110.6 | L1314 V1315 S1437 I1439 | L1314-Q1425 CarbonylContact C-O 3.58Å; L1314-Q1425 WeakPolarHBondContact CA-O 3.36Å; V1315-Q1425 HydrophobicContact CB-CB 4.44Å; V1315-Q1425 PolarHBondContact N-O 3.14Å; V1315-Q1425 PolarHBondContact O-N 2.83Å; Q1425-S1437 PolarHBondContact NE2-O 2.97Å; Q1425-I1439 HydrophobicContact CG-CB 4.27Å; Q1425-I1439 HydrophobicContact CG-CG1 3.6Å |
| 1426 | L | 77.5 | Confident | 71.8 | Confident | 8 Ų | 8 | 27 Ų | 27 | 4% | 0.042 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 131.2 | 167 | -167.4 | 77.4 | 0 | 0 | 0 | 109 | I1275 V1312 L1314 T1436 S1437 | I1275-L1426 HydrophobicContact CD1-CB 4.41Å; I1275-L1426 HydrophobicContact CD1-CD2 3.34Å; I1275-L1426 HydrophobicContact CD1-CG 4.48Å; I1275-L1426 HydrophobicContact CG1-CD2 4.36Å; V1312-L1426 HydrophobicContact CG1-CD1 3.74Å; V1312-L1426 HydrophobicContact CG1-CD2 4.32Å; V1312-L1426 HydrophobicContact CG1-CG 4.18Å; L1314-L1426 HydrophobicContact CD2-CB 4.42Å; L1314-L1426 HydrophobicContact CD2-CD1 3.77Å; L1314-L1426 HydrophobicContact CG-CD1 4.28Å; L1426-T1436 CarbonylContact O-C 3.52Å; L1426-T1436 WeakPolarHBondContact O-CA 3.49Å; L1426-S1437 PolarHBondContact N-OG 2.86Å; L1426-S1437 PolarHBondContact O-N 2.84Å |
| 1427 | R | 76.9 | Confident | 71.3 | Confident | 9 Ų | 9 | 26.7 Ų | 26.7 | 3% | 0.034 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 128.8 | 175.2 | -173.4 | -179.9 | -74.4 | 160.3 | -10.9 | 110.3 | S1313 V1315 E1364 Y1429 Y1434 T1435 T1436 | S1313-R1427 PolarHBondContact N-O 2.96Å; S1313-R1427 PolarHBondContact O-N 3.14Å; V1315-R1427 HydrophobicContact CG2-CB 4.34Å; E1364-R1427 WeakPolarHBondContact OE1-CD 3.29Å; E1364-R1427 IonicContact OE1-CZ 3.6Å; E1364-R1427 IonicContact OE1-NE 3.68Å; E1364-R1427 IonicContact OE1-NH1 3.77Å; E1364-R1427 PolarHBondContact OE1-NH1 3.42Å; E1364-R1427 IonicContact OE2-NH1 2.71Å; R1427-Y1429 HydrophobicContact CB-CE2 4.41Å; R1427-Y1429 WeakPolarHBondContact CD-OH 3.3Å; R1427-Y1429 HydrophobicContact CG-CD2 4.31Å; R1427-Y1429 HydrophobicContact CG-CE2 3.78Å; R1427-Y1429 PolarHBondContact NH1-OH 2.9Å; R1427-Y1434 HydrophobicContact CG-CD2 3.83Å; R1427-Y1434 HydrophobicContact CG-CG 4.16Å; R1427-T1435 WeakPolarHBondContact CA-O 3.25Å; R1427-T1436 HydrophobicContact CB-CG2 4.07Å; R1427-T1436 HydrophobicContact CG-CG2 3.88Å |
| 1428 | T | 74.8 | Confident | 70.8 | Confident | 11 Ų | 11 | 26.4 Ų | 26.4 | 7% | 0.067 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 134 | 174.3 | 56.3 | 0 | 0 | 0 | 0 | 109.8 | V1309 V1311 V1312 Y1434 T1435 | V1309-T1428 HydrophobicContact CG1-CG2 4.22Å; V1311-T1428 WeakPolarHBondContact O-CA 3.31Å; V1312-T1428 HydrophobicContact CG1-CG2 4.45Å; V1312-T1428 HydrophobicContact CG2-CG2 4.3Å; T1428-Y1434 VanDerWaalsContact O-CA 3.23Å; T1428-Y1434 WeakPolarHBondContact O-CA 3.49Å; T1428-Y1434 WeakPolarHBondContact O-CB 3.49Å; T1428-T1435 PolarHBondContact N-O 2.85Å; T1428-T1435 PolarHBondContact O-N 2.84Å; T1428-T1435 WeakPolarHBondContact OG1-CG2 3.02Å |
| 1429 | Y | 71.7 | Confident | 70.8 | Confident | 15 Ų | 15 | 26.6 Ų | 26.6 | 6% | 0.059 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 134.6 | -179.6 | -65 | -100.7 | 0 | 0 | 0 | 110.3 | Y1310 V1311 L1347 E1364 R1427 Y1434 | Y1310-Y1429 PolarHBondContact N-O 3.46Å; V1311-Y1429 HydrophobicContact CB-CD2 3.88Å; V1311-Y1429 HydrophobicContact CB-CG 4.2Å; V1311-Y1429 HydrophobicContact CG1-CD2 3.95Å; V1311-Y1429 HydrophobicContact CG1-CE2 4.44Å; V1311-Y1429 PolarHBondContact O-N 2.87Å; L1347-Y1429 HydrophobicContact CD2-CE2 4.07Å; E1364-Y1429 PolarHBondContact OE1-OH 2.87Å; E1364-Y1429 VanDerWaalsContact OE1-OH 3.08Å; E1364-Y1429 PolarHBondContact OE2-OH 2.86Å; R1427-Y1429 HydrophobicContact CB-CE2 4.41Å; R1427-Y1429 WeakPolarHBondContact CD-OH 3.3Å; R1427-Y1429 HydrophobicContact CG-CD2 4.31Å; R1427-Y1429 HydrophobicContact CG-CE2 3.78Å; R1427-Y1429 PolarHBondContact NH1-OH 2.9Å; Y1429-Y1434 HydrophobicContact CE1-CD1 4.17Å; Y1429-Y1434 HydrophobicContact CE1-CG 4.25Å |
| 1430 | T | 68.1 | Low | 70.8 | Confident | 24 Ų | 24 | 25.4 Ų | 25.4 | 15% | 0.147 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 173 | 172.8 | 72.5 | 0 | 0 | 0 | 0 | 109.5 | T1308 V1309 Y1432 G1433 | T1308-T1430 VanDerWaalsContact O-CA 3.23Å; T1308-T1430 WeakPolarHBondContact O-CA 3Å; T1308-T1430 WeakPolarHBondContact O-CB 3.45Å; T1308-T1430 VanDerWaalsContact O-CG2 3.29Å; T1308-T1430 WeakPolarHBondContact O-CG2 3.36Å; V1309-T1430 HydrophobicContact CG2-CG2 4.34Å; T1430-Y1432 PolarHBondContact O-N 3.01Å; T1430-Y1432 VanDerWaalsContact O-N 3.11Å; T1430-Y1432 PolarHBondContact OG1-N 2.82Å; T1430-G1433 PolarHBondContact N-O 2.92Å; T1430-G1433 PolarHBondContact O-N 3.2Å; T1430-G1433 VanDerWaalsContact O-O 3.08Å |
| 1431 | E | 57.9 | Low | 70.8 | Confident | 62 Ų | 62 | 28.1 Ų | 28.1 | 29% | 0.29 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -19 | 176.5 | 48.3 | 177.7 | 172.5 | 0 | 0 | 112.6 | R1224 Y1310 | R1224-E1431 IonicContact NH2-OE1 3.39Å; R1224-E1431 PolarHBondContact NH2-OE1 2.96Å; R1224-E1431 IonicContact NH2-OE2 2.74Å; Y1310-E1431 HydrophobicContact CE2-CB 3.75Å; Y1310-E1431 HydrophobicContact CE2-CG 4.13Å; Y1310-E1431 VanDerWaalsContact CE2-N 3.29Å |
| 1432 | Y | 54.9 | Low | 70.3 | Confident | 79 Ų | 79 | 26 Ų | 26 | 31% | 0.31 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | -3.9 | -174.8 | -56.3 | -57.3 | 0 | 0 | 0 | 113.9 | N1172 K1336 M1337 T1430 | N1172-Y1432 PolarHBondContact ND2-OH 2.83Å; K1336-Y1432 WeakPolarHBondContact CA-O 3.37Å; M1337-Y1432 PolarHBondContact N-O 2.78Å; T1430-Y1432 PolarHBondContact O-N 3.01Å; T1430-Y1432 VanDerWaalsContact O-N 3.11Å; T1430-Y1432 PolarHBondContact OG1-N 2.82Å |
| 1433 | G | 64.9 | Low | 69.8 | Low | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 149.5 | -157.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | R1335 T1430 | R1335-G1433 WeakPolarHBondContact O-CA 3.45Å; T1430-G1433 PolarHBondContact N-O 2.92Å; T1430-G1433 PolarHBondContact O-N 3.2Å; T1430-G1433 VanDerWaalsContact O-O 3.08Å |
| 1434 | Y | 69.8 | Low | 69.5 | Low | 24 Ų | 24 | 29.4 Ų | 29.4 | 9% | 0.094 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 150.9 | 171 | 67.5 | -95.9 | 0 | 0 | 0 | 111.4 | T1334 R1335 R1427 T1428 Y1429 T1436 | T1334-Y1434 WeakPolarHBondContact CA-O 3.47Å; R1335-Y1434 HydrophobicContact CB-CD1 4.33Å; R1335-Y1434 HydrophobicContact CB-CE1 3.75Å; R1335-Y1434 WeakPolarHBondContact CD-OH 3.32Å; R1335-Y1434 HydrophobicContact CG-CE1 4.44Å; R1335-Y1434 PolarHBondContact N-O 3.05Å; R1335-Y1434 PolarHBondContact O-N 3.28Å; R1427-Y1434 HydrophobicContact CG-CD2 3.83Å; R1427-Y1434 HydrophobicContact CG-CG 4.16Å; T1428-Y1434 VanDerWaalsContact O-CA 3.23Å; T1428-Y1434 WeakPolarHBondContact O-CA 3.49Å; T1428-Y1434 WeakPolarHBondContact O-CB 3.49Å; Y1429-Y1434 HydrophobicContact CE1-CD1 4.17Å; Y1429-Y1434 HydrophobicContact CE1-CG 4.25Å; Y1434-T1436 HydrophobicContact CD2-CG2 4.05Å; Y1434-T1436 HydrophobicContact CE2-CG2 4.12Å |
| 1435 | T | 65.9 | Low | 68.5 | Low | 4 Ų | 4 | 33.1 Ų | 33.1 | 3% | 0.025 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 152.5 | 167.5 | -168.7 | 0 | 0 | 0 | 0 | 110.2 | L1268 R1427 T1428 | L1268-T1435 HydrophobicContact CD2-CG2 3.45Å; L1268-T1435 VanDerWaalsContact CD2-CG2 3.45Å; L1268-T1435 HydrophobicContact CG-CG2 4.24Å; R1427-T1435 WeakPolarHBondContact CA-O 3.25Å; T1428-T1435 PolarHBondContact N-O 2.85Å; T1428-T1435 PolarHBondContact O-N 2.84Å; T1428-T1435 WeakPolarHBondContact OG1-CG2 3.02Å |
| 1436 | T | 67.8 | Low | 67.5 | Low | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 140.9 | -179 | 50.2 | 0 | 0 | 0 | 0 | 111.3 | L1426 R1427 Y1434 | L1426-T1436 CarbonylContact O-C 3.52Å; L1426-T1436 WeakPolarHBondContact O-CA 3.49Å; R1427-T1436 HydrophobicContact CB-CG2 4.07Å; R1427-T1436 HydrophobicContact CG-CG2 3.88Å; Y1434-T1436 HydrophobicContact CD2-CG2 4.05Å; Y1434-T1436 HydrophobicContact CE2-CG2 4.12Å |
| 1437 | S | 68.3 | Low | 65.9 | Low | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.007 | 20% | 0.199 | C | C | . | . | P | Polyproline II helix | trans | -67.2 | 167.6 | 172.4 | 75.2 | 0 | 0 | 0 | 0 | 112.7 | Q1425 L1426 | Q1425-S1437 PolarHBondContact NE2-O 2.97Å; L1426-S1437 PolarHBondContact N-OG 2.86Å; L1426-S1437 PolarHBondContact O-N 2.84Å |
| 1438 | K | 62.9 | Low | 64.4 | Low | 79 Ų | 79 | 42.8 Ų | 42.8 | 34% | 0.343 | 22% | 0.217 | S | C | . | . | P | Polyproline II helix | trans | -61.8 | 156 | 164.7 | -42.6 | -179.3 | 160.6 | 175.6 | 0 | 109.8 | N1273 L1276 E1331 I1440 | N1273-K1438 VanDerWaalsContact OD1-CE 3.24Å; N1273-K1438 WeakPolarHBondContact OD1-CE 3.37Å; L1276-K1438 HydrophobicContact CD1-CB 3.36Å; L1276-K1438 HydrophobicContact CD1-CD 4.01Å; L1276-K1438 HydrophobicContact CD1-CG 3.71Å; E1331-K1438 HydrophobicContact CG-CB 4.31Å; E1331-K1438 HydrophobicContact CG-CG 4.22Å; E1331-K1438 WeakPolarHBondContact OE1-CB 3.5Å; E1331-K1438 WeakPolarHBondContact OE1-CD 3.31Å; K1438-I1440 PolarHBondContact O-N 2.71Å |
| 1439 | I | 69 | Low | 63.2 | Low | 66 Ų | 66 | 45.1 Ų | 45.1 | 34% | 0.338 | 23% | 0.231 | S | C | . | . | P | Polyproline II helix | trans | -73.4 | 122.3 | -177.6 | -62.9 | 169.6 | 0 | 0 | 0 | 109.3 | Q1425 | Q1425-I1439 HydrophobicContact CG-CB 4.27Å; Q1425-I1439 HydrophobicContact CG-CG1 3.6Å |
| 1440 | I | 70.7 | Confident | 62.3 | Low | 39 Ų | 39 | 49.9 Ų | 49.9 | 20% | 0.2 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 136.4 | 167.6 | -59.4 | 166 | 0 | 0 | 0 | 107.9 | I1275 L1276 S1423 I1424 K1438 | I1275-I1440 HydrophobicContact CG2-CD1 4.47Å; L1276-I1440 HydrophobicContact CD2-CD1 4.34Å; L1276-I1440 HydrophobicContact CD2-CG1 3.65Å; L1276-I1440 HydrophobicContact CG-CG1 4.23Å; S1423-I1440 CarbonylContact C-O 3.56Å; S1423-I1440 WeakPolarHBondContact CA-O 3.3Å; I1424-I1440 PolarHBondContact N-O 2.82Å; I1424-I1440 PolarHBondContact O-N 2.56Å; K1438-I1440 PolarHBondContact O-N 2.71Å |
| 1441 | H | 71.9 | Confident | 61.5 | Low | 89 Ų | 89 | 54.1 Ų | 54.1 | 41% | 0.412 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 121.6 | 176.7 | -65 | 88.1 | 0 | 0 | 0 | 110.3 | Q1421 Y1422 | Q1421-H1441 HydrophobicContact CG-CB 4.41Å; Q1421-H1441 PolarHBondContact NE2-CD2 2.84Å; Q1421-H1441 VanDerWaalsContact NE2-CD2 3.31Å; Y1422-H1441 CarbonylContact O-C 3.6Å; Y1422-H1441 WeakPolarHBondContact O-CA 3.17Å |
| 1442 | G | 69 | Low | 61.2 | Low | 5 Ų | 5 | 55.9 Ų | 55.9 | 5% | 0.052 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 134 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q1421 Y1422 | Q1421-G1442 CarbonylContact C-O 3.57Å; Q1421-G1442 WeakPolarHBondContact CA-O 3.48Å; Y1422-G1442 PolarHBondContact N-O 2.85Å; Y1422-G1442 PolarHBondContact O-N 3.46Å |
| 1443 | H | 70.1 | Confident | 61.4 | Low | 83 Ų | 83 | 56.2 Ų | 56.2 | 38% | 0.384 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 127.3 | 179.4 | -69 | -102.8 | 0 | 0 | 0 | 110.5 | Q1421 | Q1421-H1443 VanDerWaalsContact CD-NE2 3.27Å; Q1421-H1443 WeakPolarHBondContact CG-CE1 3.36Å; Q1421-H1443 WeakPolarHBondContact CG-NE2 3.44Å; Q1421-H1443 PolarHBondContact NE2-NE2 2.55Å; Q1421-H1443 PolarHBondContact OE1-CE1 3.09Å |
| 1444 | T | 70.2 | Confident | 61.2 | Low | 7 Ų | 7 | 59.3 Ų | 59.3 | 4% | 0.043 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -80.8 | 140.4 | 164.6 | 56.3 | 0 | 0 | 0 | 0 | 109.7 | I1293 L1416 K1417 P1418 A1419 T1420 Y1422 | I1293-T1444 HydrophobicContact CD1-CG2 4.44Å; I1293-T1444 HydrophobicContact CG1-CG2 4.39Å; L1416-T1444 HydrophobicContact CB-CG2 3.74Å; L1416-T1444 HydrophobicContact CD1-CG2 3.97Å; K1417-T1444 WeakPolarHBondContact O-CB 3.33Å; K1417-T1444 PolarHBondContact O-OG1 2.94Å; P1418-T1444 VanDerWaalsContact C-OG1 3.29Å; A1419-T1444 VanDerWaalsContact CA-O 3.29Å; A1419-T1444 WeakPolarHBondContact CA-O 3.39Å; A1419-T1444 PolarHBondContact N-O 2.83Å; A1419-T1444 PolarHBondContact N-OG1 2.84Å; T1420-T1444 PolarHBondContact N-OG1 3.45Å; T1420-T1444 PolarHBondContact O-N 2.95Å; T1420-T1444 VanDerWaalsContact O-N 3.1Å; T1420-T1444 PolarHBondContact O-OG1 2.85Å; T1420-T1444 VanDerWaalsContact O-OG1 3.09Å; Y1422-T1444 HydrophobicContact CD2-CG2 4.4Å; Y1422-T1444 HydrophobicContact CE2-CG2 4.15Å |
| 1445 | L | 59.6 | Low | 61 | Low | 80 Ų | 80 | 61.4 Ų | 61.4 | 42% | 0.419 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -71 | 152.5 | -179.2 | -75.1 | 164.1 | 0 | 0 | 0 | 110.8 | K1288 A1419 | K1288-L1445 HydrophobicContact CB-CD1 3.51Å; K1288-L1445 HydrophobicContact CB-CG 3.88Å; K1288-L1445 HydrophobicContact CD-CD1 4.3Å; K1288-L1445 HydrophobicContact CD-CD2 4.31Å; K1288-L1445 HydrophobicContact CD-CG 4.03Å; K1288-L1445 HydrophobicContact CG-CG 4.46Å; A1419-L1445 PolarHBondContact N-O 3.35Å |
| 1446 | T | 55.8 | Low | 61 | Low | 89 Ų | 89 | 64.2 Ų | 64.2 | 55% | 0.546 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 136.3 | 166.3 | 41.6 | 0 | 0 | 0 | 0 | 109.1 | A1419 T1448 | A1419-T1446 HydrophobicContact CB-CG2 3.57Å; T1446-T1448 VanDerWaalsContact C-N 3.27Å; T1446-T1448 PolarHBondContact O-N 3.05Å |
| 1447 | D | 44.5 | Very low | 61.3 | Low | 75 Ų | 75 | 68.4 Ų | 68.4 | 40% | 0.401 | 37% | 0.371 | S | S | . | . | trans | -52.3 | 90.4 | 172 | -171.6 | -9.2 | 0 | 0 | 0 | 110 | T1449 I1450 | D1447-T1449 PolarHBondContact O-N 3.31Å; D1447-T1449 VanDerWaalsContact OD1-CA 3.31Å; D1447-T1449 WeakPolarHBondContact OD1-CA 3.37Å; D1447-T1449 WeakPolarHBondContact OD1-CB 3.42Å; D1447-T1449 PolarHBondContact OD1-N 3.4Å; D1447-T1449 PolarHBondContact OD1-OG1 2.84Å; D1447-I1450 PolarHBondContact O-N 3.48Å | ||
| 1448 | T | 45.7 | Very low | 61.5 | Low | 66 Ų | 66 | 73.9 Ų | 73.9 | 41% | 0.405 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -3.2 | 174.4 | 45.1 | 0 | 0 | 0 | 0 | 110.4 | T1446 I1450 I1451 L1452 | T1446-T1448 VanDerWaalsContact C-N 3.27Å; T1446-T1448 PolarHBondContact O-N 3.05Å; T1448-I1450 PolarHBondContact O-N 2.84Å; T1448-I1451 CarbonylContact O-C 3.58Å; T1448-I1451 PolarHBondContact O-N 2.8Å; T1448-I1451 VanDerWaalsContact O-N 3.1Å; T1448-L1452 VanDerWaalsContact O-CB 3.32Å; T1448-L1452 WeakPolarHBondContact O-CB 3.42Å; T1448-L1452 PolarHBondContact O-N 3.33Å |
| 1449 | T | 49.5 | Very low | 62 | Low | 60 Ų | 60 | 78.3 Ų | 78.3 | 37% | 0.368 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -67.5 | -17.1 | 167.5 | -9.4 | 0 | 0 | 0 | 0 | 111.5 | D1447 I1453 | D1447-T1449 PolarHBondContact O-N 3.31Å; D1447-T1449 VanDerWaalsContact OD1-CA 3.31Å; D1447-T1449 WeakPolarHBondContact OD1-CA 3.37Å; D1447-T1449 WeakPolarHBondContact OD1-CB 3.42Å; D1447-T1449 PolarHBondContact OD1-N 3.4Å; D1447-T1449 PolarHBondContact OD1-OG1 2.84Å; T1449-I1453 HydrophobicContact CG2-CD1 3.6Å; T1449-I1453 HydrophobicContact CG2-CG1 3.86Å; T1449-I1453 VanDerWaalsContact O-CA 3.24Å; T1449-I1453 WeakPolarHBondContact O-CA 3.37Å; T1449-I1453 WeakPolarHBondContact O-CB 3.48Å; T1449-I1453 WeakPolarHBondContact O-CD1 3.48Å; T1449-I1453 WeakPolarHBondContact O-CG1 3.41Å; T1449-I1453 PolarHBondContact O-N 3.06Å |
| 1450 | I | 50.8 | Low | 62.3 | Low | 115 Ų | 115 | 78 Ų | 78 | 59% | 0.59 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -75.6 | -36.3 | 165.9 | -64.6 | 179.1 | 0 | 0 | 0 | 111.3 | D1447 T1448 T1454 | D1447-I1450 PolarHBondContact O-N 3.48Å; T1448-I1450 PolarHBondContact O-N 2.84Å; I1450-T1454 HydrophobicContact CG2-CG2 4.31Å; I1450-T1454 VanDerWaalsContact O-CB 3.26Å; I1450-T1454 WeakPolarHBondContact O-CB 3.03Å; I1450-T1454 VanDerWaalsContact O-CG2 3.23Å; I1450-T1454 WeakPolarHBondContact O-CG2 3.49Å; I1450-T1454 PolarHBondContact O-N 3Å; I1450-T1454 PolarHBondContact O-OG1 2.73Å |
| 1451 | I | 52.6 | Low | 62.6 | Low | 112 Ų | 112 | 81 Ų | 81 | 57% | 0.574 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -76.9 | -36.2 | 177.3 | -64.2 | 174.3 | 0 | 0 | 0 | 111.1 | T1448 T1454 C1455 | T1448-I1451 CarbonylContact O-C 3.58Å; T1448-I1451 PolarHBondContact O-N 2.8Å; T1448-I1451 VanDerWaalsContact O-N 3.1Å; I1451-T1454 WeakPolarHBondContact CA-OG1 3.38Å; I1451-T1454 PolarHBondContact O-OG1 3.1Å; I1451-T1454 VanDerWaalsContact O-OG1 3.13Å; I1451-C1455 WeakPolarHBondContact O-CA 3.44Å; I1451-C1455 WeakPolarHBondContact O-CB 3.26Å; I1451-C1455 PolarHBondContact O-N 3.27Å; I1451-C1455 PolarHBondContact O-SG 3.22Å |
| 1452 | L | 51.4 | Low | 62.9 | Low | 99 Ų | 99 | 82.8 Ų | 82.8 | 52% | 0.518 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -80.2 | -24.7 | 172.6 | -93.7 | 142.3 | 0 | 0 | 0 | 112.6 | T1448 C1456 | T1448-L1452 VanDerWaalsContact O-CB 3.32Å; T1448-L1452 WeakPolarHBondContact O-CB 3.42Å; T1448-L1452 PolarHBondContact O-N 3.33Å; L1452-C1456 VanDerWaalsContact O-CA 3.29Å; L1452-C1456 WeakPolarHBondContact O-CA 3.38Å; L1452-C1456 WeakPolarHBondContact O-CB 3.42Å; L1452-C1456 PolarHBondContact O-N 2.98Å; L1452-C1456 PolarHBondContact O-SG 3.48Å |
| 1453 | I | 59.2 | Low | 63.3 | Low | 86 Ų | 86 | 86 Ų | 86 | 44% | 0.441 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -83.1 | -30.7 | 167.9 | -66.9 | 161.4 | 0 | 0 | 0 | 109.5 | T1449 I1457 | T1449-I1453 HydrophobicContact CG2-CD1 3.6Å; T1449-I1453 HydrophobicContact CG2-CG1 3.86Å; T1449-I1453 VanDerWaalsContact O-CA 3.24Å; T1449-I1453 WeakPolarHBondContact O-CA 3.37Å; T1449-I1453 WeakPolarHBondContact O-CB 3.48Å; T1449-I1453 WeakPolarHBondContact O-CD1 3.48Å; T1449-I1453 WeakPolarHBondContact O-CG1 3.41Å; T1449-I1453 PolarHBondContact O-N 3.06Å; I1453-I1457 HydrophobicContact CG2-CD1 3.3Å; I1453-I1457 HydrophobicContact CG2-CG1 3.72Å; I1453-I1457 VanDerWaalsContact O-CA 3.31Å; I1453-I1457 WeakPolarHBondContact O-CA 3.45Å; I1453-I1457 WeakPolarHBondContact O-CB 3.42Å; I1453-I1457 WeakPolarHBondContact O-CD1 3.36Å; I1453-I1457 WeakPolarHBondContact O-CG1 3.47Å; I1453-I1457 PolarHBondContact O-N 2.81Å |
| 1454 | T | 60.9 | Low | 63.5 | Low | 66 Ų | 66 | 87 Ų | 87 | 41% | 0.405 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -72.9 | -39 | 167.9 | 53.4 | 0 | 0 | 0 | 0 | 110.8 | I1450 I1451 L1458 | I1450-T1454 HydrophobicContact CG2-CG2 4.31Å; I1450-T1454 VanDerWaalsContact O-CB 3.26Å; I1450-T1454 WeakPolarHBondContact O-CB 3.03Å; I1450-T1454 VanDerWaalsContact O-CG2 3.23Å; I1450-T1454 WeakPolarHBondContact O-CG2 3.49Å; I1450-T1454 PolarHBondContact O-N 3Å; I1450-T1454 PolarHBondContact O-OG1 2.73Å; I1451-T1454 WeakPolarHBondContact CA-OG1 3.38Å; I1451-T1454 PolarHBondContact O-OG1 3.1Å; I1451-T1454 VanDerWaalsContact O-OG1 3.13Å; T1454-L1458 WeakPolarHBondContact O-CA 2.99Å; T1454-L1458 WeakPolarHBondContact O-CB 3.45Å; T1454-L1458 WeakPolarHBondContact O-CD1 3Å; T1454-L1458 WeakPolarHBondContact O-CG 3.41Å; T1454-L1458 PolarHBondContact O-N 3.21Å |
| 1455 | C | 64.2 | Low | 63.7 | Low | 68 Ų | 68 | 89 Ų | 89 | 46% | 0.459 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -69.9 | -43 | 173.4 | -74.7 | 0 | 0 | 0 | 0 | 110.2 | I1451 L1458 W1459 | I1451-C1455 WeakPolarHBondContact O-CA 3.44Å; I1451-C1455 WeakPolarHBondContact O-CB 3.26Å; I1451-C1455 PolarHBondContact O-N 3.27Å; I1451-C1455 PolarHBondContact O-SG 3.22Å; C1455-L1458 CarbonylContact O-C 3.51Å; C1455-L1458 PolarHBondContact O-N 3.05Å; C1455-W1459 WeakPolarHBondContact O-CA 3.21Å; C1455-W1459 WeakPolarHBondContact O-CB 3.1Å; C1455-W1459 PolarHBondContact O-N 2.98Å |
| 1456 | C | 67.9 | Low | 64.5 | Low | 62 Ų | 62 | 89.6 Ų | 89.6 | 42% | 0.419 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -74.4 | -26.7 | 174.6 | -68.7 | 0 | 0 | 0 | 0 | 112.8 | L1452 S1460 | L1452-C1456 VanDerWaalsContact O-CA 3.29Å; L1452-C1456 WeakPolarHBondContact O-CA 3.38Å; L1452-C1456 WeakPolarHBondContact O-CB 3.42Å; L1452-C1456 PolarHBondContact O-N 2.98Å; L1452-C1456 PolarHBondContact O-SG 3.48Å; C1456-S1460 VanDerWaalsContact O-CA 3.3Å; C1456-S1460 WeakPolarHBondContact O-CA 3.02Å; C1456-S1460 WeakPolarHBondContact O-CB 3.01Å; C1456-S1460 PolarHBondContact O-N 3.38Å; C1456-S1460 PolarHBondContact O-OG 2.95Å |
| 1457 | I | 73.9 | Confident | 65 | Low | 89 Ų | 89 | 87.5 Ų | 87.5 | 46% | 0.456 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -74.2 | -39.8 | 169 | -72.5 | 171.2 | 0 | 0 | 0 | 108.6 | I1453 L1461 | I1453-I1457 HydrophobicContact CG2-CD1 3.3Å; I1453-I1457 HydrophobicContact CG2-CG1 3.72Å; I1453-I1457 VanDerWaalsContact O-CA 3.31Å; I1453-I1457 WeakPolarHBondContact O-CA 3.45Å; I1453-I1457 WeakPolarHBondContact O-CB 3.42Å; I1453-I1457 WeakPolarHBondContact O-CD1 3.36Å; I1453-I1457 WeakPolarHBondContact O-CG1 3.47Å; I1453-I1457 PolarHBondContact O-N 2.81Å; I1457-L1461 HydrophobicContact CG2-CD1 3.63Å; I1457-L1461 HydrophobicContact CG2-CG 4.07Å; I1457-L1461 WeakPolarHBondContact O-CA 3.49Å; I1457-L1461 WeakPolarHBondContact O-CB 3.29Å; I1457-L1461 WeakPolarHBondContact O-CD1 3.45Å; I1457-L1461 WeakPolarHBondContact O-CG 3.39Å; I1457-L1461 PolarHBondContact O-N 3.15Å |
| 1458 | L | 71.1 | Confident | 66.1 | Low | 116 Ų | 116 | 87.1 Ų | 87.1 | 61% | 0.607 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -67.8 | -35 | 172.9 | -72.1 | 166.4 | 0 | 0 | 0 | 111.5 | T1454 C1455 F1462 | T1454-L1458 WeakPolarHBondContact O-CA 2.99Å; T1454-L1458 WeakPolarHBondContact O-CB 3.45Å; T1454-L1458 WeakPolarHBondContact O-CD1 3Å; T1454-L1458 WeakPolarHBondContact O-CG 3.41Å; T1454-L1458 PolarHBondContact O-N 3.21Å; C1455-L1458 CarbonylContact O-C 3.51Å; C1455-L1458 PolarHBondContact O-N 3.05Å; L1458-F1462 WeakPolarHBondContact O-CB 3.15Å; L1458-F1462 PolarHBondContact O-N 3.25Å |
| 1459 | W | 73.5 | Confident | 67.1 | Low | 172 Ų | 172 | 91.5 Ų | 91.5 | 65% | 0.652 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -81.6 | -30.8 | 177.7 | -141.8 | 83.6 | 0 | 0 | 0 | 111.4 | C1455 I1463 | C1455-W1459 WeakPolarHBondContact O-CA 3.21Å; C1455-W1459 WeakPolarHBondContact O-CB 3.1Å; C1455-W1459 PolarHBondContact O-N 2.98Å; W1459-I1463 HydrophobicContact CD2-CD1 4.2Å; W1459-I1463 HydrophobicContact CE3-CD1 3.29Å; W1459-I1463 HydrophobicContact CE3-CG1 4.02Å; W1459-I1463 HydrophobicContact CH2-CD1 3.78Å; W1459-I1463 HydrophobicContact CZ3-CD1 3.07Å; W1459-I1463 HydrophobicContact CZ3-CG1 4.15Å; W1459-I1463 WeakPolarHBondContact O-CB 3.31Å; W1459-I1463 VanDerWaalsContact O-CG1 3.25Å; W1459-I1463 WeakPolarHBondContact O-CG1 3.32Å; W1459-I1463 PolarHBondContact O-N 3.06Å |
| 1460 | S | 74.9 | Confident | 67.8 | Low | 61 Ų | 61 | 90 Ų | 90 | 43% | 0.427 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -77.2 | -32 | 170.2 | -59.4 | 0 | 0 | 0 | 0 | 111.3 | C1456 L1464 | C1456-S1460 VanDerWaalsContact O-CA 3.3Å; C1456-S1460 WeakPolarHBondContact O-CA 3.02Å; C1456-S1460 WeakPolarHBondContact O-CB 3.01Å; C1456-S1460 PolarHBondContact O-N 3.38Å; C1456-S1460 PolarHBondContact O-OG 2.95Å; S1460-L1464 WeakPolarHBondContact O-CA 3.35Å; S1460-L1464 WeakPolarHBondContact O-CB 3.37Å; S1460-L1464 WeakPolarHBondContact O-CD1 2.98Å; S1460-L1464 WeakPolarHBondContact O-CG 3.25Å; S1460-L1464 PolarHBondContact O-N 2.84Å |
| 1461 | L | 77.1 | Confident | 68.1 | Low | 102 Ų | 102 | 88.8 Ų | 88.8 | 53% | 0.534 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -73.8 | -32.9 | 169.3 | -73.5 | 170.5 | 0 | 0 | 0 | 110.5 | I1457 A1465 | I1457-L1461 HydrophobicContact CG2-CD1 3.63Å; I1457-L1461 HydrophobicContact CG2-CG 4.07Å; I1457-L1461 WeakPolarHBondContact O-CA 3.49Å; I1457-L1461 WeakPolarHBondContact O-CB 3.29Å; I1457-L1461 WeakPolarHBondContact O-CD1 3.45Å; I1457-L1461 WeakPolarHBondContact O-CG 3.39Å; I1457-L1461 PolarHBondContact O-N 3.15Å; L1461-A1465 WeakPolarHBondContact O-CA 3.42Å; L1461-A1465 WeakPolarHBondContact O-CB 3.36Å; L1461-A1465 PolarHBondContact O-N 3.29Å |
| 1462 | F | 78.2 | Confident | 68.3 | Low | 126 Ų | 126 | 89.1 Ų | 89.1 | 55% | 0.553 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -72.7 | -36.9 | 172 | -170.6 | -107.7 | 0 | 0 | 0 | 111.7 | L1458 A1465 I1466 | L1458-F1462 WeakPolarHBondContact O-CB 3.15Å; L1458-F1462 PolarHBondContact O-N 3.25Å; F1462-A1465 PolarHBondContact O-N 2.75Å; F1462-I1466 HydrophobicContact CD1-CD1 3.52Å; F1462-I1466 HydrophobicContact CE1-CD1 3.26Å; F1462-I1466 HydrophobicContact CE1-CG1 4.46Å; F1462-I1466 HydrophobicContact CE2-CD1 4.38Å; F1462-I1466 HydrophobicContact CG-CD1 4.2Å; F1462-I1466 HydrophobicContact CZ-CD1 3.73Å; F1462-I1466 VanDerWaalsContact O-CB 3.3Å; F1462-I1466 WeakPolarHBondContact O-CB 3.29Å; F1462-I1466 WeakPolarHBondContact O-CG1 3.09Å; F1462-I1466 PolarHBondContact O-N 3.44Å |
| 1463 | I | 78.5 | Confident | 68.4 | Low | 71 Ų | 71 | 92.2 Ų | 92.2 | 36% | 0.364 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -76.1 | -32.5 | 171 | -75.7 | -173 | 0 | 0 | 0 | 111.8 | W1459 A1465 I1466 S1467 | W1459-I1463 HydrophobicContact CD2-CD1 4.2Å; W1459-I1463 HydrophobicContact CE3-CD1 3.29Å; W1459-I1463 HydrophobicContact CE3-CG1 4.02Å; W1459-I1463 HydrophobicContact CH2-CD1 3.78Å; W1459-I1463 HydrophobicContact CZ3-CD1 3.07Å; W1459-I1463 HydrophobicContact CZ3-CG1 4.15Å; W1459-I1463 WeakPolarHBondContact O-CB 3.31Å; W1459-I1463 VanDerWaalsContact O-CG1 3.25Å; W1459-I1463 WeakPolarHBondContact O-CG1 3.32Å; W1459-I1463 PolarHBondContact O-N 3.06Å; I1463-A1465 VanDerWaalsContact C-N 3.33Å; I1463-I1466 PolarHBondContact O-N 3.03Å; I1463-S1467 WeakPolarHBondContact O-CA 3.18Å; I1463-S1467 WeakPolarHBondContact O-CB 3.34Å; I1463-S1467 PolarHBondContact O-N 2.93Å; I1463-S1467 PolarHBondContact O-OG 2.94Å |
| 1464 | L | 74.8 | Confident | 67.7 | Low | 106 Ų | 106 | 94.6 Ų | 94.6 | 56% | 0.555 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -72.3 | -30.5 | 170.1 | -77.5 | 165.6 | 0 | 0 | 0 | 110.5 | S1460 S1467 S1468 | S1460-L1464 WeakPolarHBondContact O-CA 3.35Å; S1460-L1464 WeakPolarHBondContact O-CB 3.37Å; S1460-L1464 WeakPolarHBondContact O-CD1 2.98Å; S1460-L1464 WeakPolarHBondContact O-CG 3.25Å; S1460-L1464 PolarHBondContact O-N 2.84Å; L1464-S1467 WeakPolarHBondContact CA-OG 3.43Å; L1464-S1468 WeakPolarHBondContact O-CA 2.9Å; L1464-S1468 WeakPolarHBondContact O-CB 3.43Å; L1464-S1468 PolarHBondContact O-N 2.87Å; L1464-S1468 PolarHBondContact O-OG 2.95Å |
| 1465 | A | 73.2 | Confident | 66.8 | Low | 48 Ų | 48 | 101 Ų | 101 | 40% | 0.397 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.9 | -47.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | L1461 F1462 I1463 S1467 S1468 F1469 | L1461-A1465 WeakPolarHBondContact O-CA 3.42Å; L1461-A1465 WeakPolarHBondContact O-CB 3.36Å; L1461-A1465 PolarHBondContact O-N 3.29Å; F1462-A1465 PolarHBondContact O-N 2.75Å; I1463-A1465 VanDerWaalsContact C-N 3.33Å; A1465-S1467 PolarHBondContact O-N 2.93Å; A1465-S1468 WeakPolarHBondContact CA-OG 2.84Å; A1465-S1468 PolarHBondContact O-N 3.1Å; A1465-S1468 PolarHBondContact O-OG 2.84Å; A1465-S1468 VanDerWaalsContact O-OG 3.08Å; A1465-F1469 WeakPolarHBondContact O-CB 3.3Å; A1465-F1469 PolarHBondContact O-N 3.4Å |
| 1466 | I | 76.4 | Confident | 65.8 | Low | 93 Ų | 93 | 104.4 Ų | 104.4 | 48% | 0.477 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -70.5 | -30 | 177.9 | -71.1 | 168.3 | 0 | 0 | 0 | 112.4 | F1462 I1463 G1470 | F1462-I1466 HydrophobicContact CD1-CD1 3.52Å; F1462-I1466 HydrophobicContact CE1-CD1 3.26Å; F1462-I1466 HydrophobicContact CE1-CG1 4.46Å; F1462-I1466 HydrophobicContact CE2-CD1 4.38Å; F1462-I1466 HydrophobicContact CG-CD1 4.2Å; F1462-I1466 HydrophobicContact CZ-CD1 3.73Å; F1462-I1466 VanDerWaalsContact O-CB 3.3Å; F1462-I1466 WeakPolarHBondContact O-CB 3.29Å; F1462-I1466 WeakPolarHBondContact O-CG1 3.09Å; F1462-I1466 PolarHBondContact O-N 3.44Å; I1463-I1466 PolarHBondContact O-N 3.03Å; I1466-G1470 WeakPolarHBondContact O-CA 3.27Å; I1466-G1470 PolarHBondContact O-N 3.45Å |
| 1467 | S | 67.3 | Low | 64.6 | Low | 44 Ų | 44 | 107 Ų | 107 | 31% | 0.308 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -89 | -20.2 | 175.6 | 69.3 | 0 | 0 | 0 | 0 | 112.3 | I1463 L1464 A1465 L1471 | I1463-S1467 WeakPolarHBondContact O-CA 3.18Å; I1463-S1467 WeakPolarHBondContact O-CB 3.34Å; I1463-S1467 PolarHBondContact O-N 2.93Å; I1463-S1467 PolarHBondContact O-OG 2.94Å; L1464-S1467 WeakPolarHBondContact CA-OG 3.43Å; A1465-S1467 PolarHBondContact O-N 2.93Å; S1467-L1471 WeakPolarHBondContact O-CA 3.49Å; S1467-L1471 WeakPolarHBondContact O-CB 3.43Å; S1467-L1471 VanDerWaalsContact O-CD1 3.22Å; S1467-L1471 WeakPolarHBondContact O-CD1 3.38Å; S1467-L1471 PolarHBondContact O-N 2.86Å |
| 1468 | S | 66.8 | Low | 62.5 | Low | 68 Ų | 68 | 109.2 Ų | 109.2 | 48% | 0.476 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -80.2 | -35.9 | 165.1 | 59.9 | 0 | 0 | 0 | 0 | 111.2 | L1464 A1465 L1472 | L1464-S1468 WeakPolarHBondContact O-CA 2.9Å; L1464-S1468 WeakPolarHBondContact O-CB 3.43Å; L1464-S1468 PolarHBondContact O-N 2.87Å; L1464-S1468 PolarHBondContact O-OG 2.95Å; A1465-S1468 WeakPolarHBondContact CA-OG 2.84Å; A1465-S1468 PolarHBondContact O-N 3.1Å; A1465-S1468 PolarHBondContact O-OG 2.84Å; A1465-S1468 VanDerWaalsContact O-OG 3.08Å; S1468-L1472 VanDerWaalsContact O-CB 3.26Å; S1468-L1472 WeakPolarHBondContact O-CB 3.44Å; S1468-L1472 PolarHBondContact O-N 2.94Å |
| 1469 | F | 66.3 | Low | 60.4 | Low | 158 Ų | 158 | 115.2 Ų | 115.2 | 69% | 0.693 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -70.6 | -35.8 | 168.7 | -137.4 | -95.1 | 0 | 0 | 0 | 111.1 | A1465 L1472 Y1473 | A1465-F1469 WeakPolarHBondContact O-CB 3.3Å; A1465-F1469 PolarHBondContact O-N 3.4Å; F1469-L1472 WeakPolarHBondContact O-CB 3.23Å; F1469-L1472 PolarHBondContact O-N 2.83Å; F1469-Y1473 WeakPolarHBondContact O-CB 3.17Å; F1469-Y1473 PolarHBondContact O-N 3.45Å |
| 1470 | G | 64.9 | Low | 58.5 | Low | 29 Ų | 29 | 111.7 Ų | 111.7 | 30% | 0.299 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -76.9 | -34.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | I1466 Y1473 Y1474 | I1466-G1470 WeakPolarHBondContact O-CA 3.27Å; I1466-G1470 PolarHBondContact O-N 3.45Å; G1470-Y1473 PolarHBondContact O-N 2.98Å; G1470-Y1474 WeakPolarHBondContact O-CA 3.41Å; G1470-Y1474 WeakPolarHBondContact O-CB 3.25Å; G1470-Y1474 PolarHBondContact O-N 2.98Å |
| 1471 | L | 57.6 | Low | 56.5 | Low | 88 Ų | 88 | 116.1 Ų | 116.1 | 46% | 0.461 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -73.4 | -29.5 | 164.9 | -103.3 | 83.2 | 0 | 0 | 0 | 110.9 | S1467 Y1473 R1475 | S1467-L1471 WeakPolarHBondContact O-CA 3.49Å; S1467-L1471 WeakPolarHBondContact O-CB 3.43Å; S1467-L1471 VanDerWaalsContact O-CD1 3.22Å; S1467-L1471 WeakPolarHBondContact O-CD1 3.38Å; S1467-L1471 PolarHBondContact O-N 2.86Å; L1471-Y1473 VanDerWaalsContact C-N 3.34Å; L1471-R1475 WeakPolarHBondContact O-CA 3.4Å; L1471-R1475 WeakPolarHBondContact O-CB 3.4Å; L1471-R1475 WeakPolarHBondContact O-CG 3.47Å; L1471-R1475 PolarHBondContact O-N 2.84Å |
| 1472 | L | 56.5 | Low | 54.2 | Low | 119 Ų | 119 | 118.3 Ų | 118.3 | 62% | 0.623 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -67.3 | -40.1 | 170.3 | -136 | 81 | 0 | 0 | 0 | 110.2 | S1468 F1469 L1476 | S1468-L1472 VanDerWaalsContact O-CB 3.26Å; S1468-L1472 WeakPolarHBondContact O-CB 3.44Å; S1468-L1472 PolarHBondContact O-N 2.94Å; F1469-L1472 WeakPolarHBondContact O-CB 3.23Å; F1469-L1472 PolarHBondContact O-N 2.83Å; L1472-L1476 WeakPolarHBondContact O-CD1 3.4Å; L1472-L1476 WeakPolarHBondContact O-CG 3.42Å; L1472-L1476 PolarHBondContact O-N 2.83Å |
| 1473 | Y | 53.7 | Low | 52.1 | Low | 164 Ų | 164 | 116.7 Ų | 116.7 | 64% | 0.643 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -75.1 | -35.4 | 179 | -167.9 | -99.1 | 0 | 0 | 0 | 112.6 | F1469 G1470 L1471 L1476 I1477 | F1469-Y1473 WeakPolarHBondContact O-CB 3.17Å; F1469-Y1473 PolarHBondContact O-N 3.45Å; G1470-Y1473 PolarHBondContact O-N 2.98Å; L1471-Y1473 VanDerWaalsContact C-N 3.34Å; Y1473-L1476 PolarHBondContact O-N 2.82Å; Y1473-I1477 HydrophobicContact CE1-CD1 4.4Å; Y1473-I1477 PolarHBondContact O-N 3.05Å |
| 1474 | Y | 44.1 | Very low | 49.6 | Very low | 137 Ų | 137 | 122.3 Ų | 122.3 | 54% | 0.537 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -84.7 | -31.4 | 178.6 | -165.6 | -90.9 | 0 | 0 | 0 | 111.9 | G1470 L1476 I1477 E1478 | G1470-Y1474 WeakPolarHBondContact O-CA 3.41Å; G1470-Y1474 WeakPolarHBondContact O-CB 3.25Å; G1470-Y1474 PolarHBondContact O-N 2.98Å; Y1474-L1476 PolarHBondContact O-N 2.84Å; Y1474-I1477 CarbonylContact O-C 3.25Å; Y1474-I1477 PolarHBondContact O-N 2.72Å; Y1474-I1477 VanDerWaalsContact O-N 3.11Å; Y1474-E1478 HydrophobicContact CE1-CB 4.34Å; Y1474-E1478 HydrophobicContact CE1-CG 4.4Å; Y1474-E1478 WeakPolarHBondContact CE1-OE2 3.21Å; Y1474-E1478 PolarHBondContact O-N 2.87Å; Y1474-E1478 PolarHBondContact OH-OE1 2.88Å |
| 1475 | R | 42.9 | Very low | 47.2 | Very low | 201 Ų | 201 | 123.3 Ų | 123.3 | 76% | 0.758 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | -8.5 | 165.6 | -69.8 | -178.7 | 176.3 | -171.4 | 2.1 | 113.3 | L1471 | L1471-R1475 WeakPolarHBondContact O-CA 3.4Å; L1471-R1475 WeakPolarHBondContact O-CB 3.4Å; L1471-R1475 WeakPolarHBondContact O-CG 3.47Å; L1471-R1475 PolarHBondContact O-N 2.84Å |
| 1476 | L | 42.5 | Very low | 44.9 | Very low | 138 Ų | 138 | 126.1 Ų | 126.1 | 72% | 0.723 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | -14.3 | 168.3 | -76.8 | 168.2 | 0 | 0 | 0 | 113.3 | L1472 Y1473 Y1474 | L1472-L1476 WeakPolarHBondContact O-CD1 3.4Å; L1472-L1476 WeakPolarHBondContact O-CG 3.42Å; L1472-L1476 PolarHBondContact O-N 2.83Å; Y1473-L1476 PolarHBondContact O-N 2.82Å; Y1474-L1476 PolarHBondContact O-N 2.84Å |
| 1477 | I | 41.6 | Very low | 42.5 | Very low | 118 Ų | 118 | 127.4 Ų | 127.4 | 61% | 0.605 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -133.5 | 41.7 | -177.1 | -46.2 | 179.7 | 0 | 0 | 0 | 110.2 | Y1473 Y1474 | Y1473-I1477 HydrophobicContact CE1-CD1 4.4Å; Y1473-I1477 PolarHBondContact O-N 3.05Å; Y1474-I1477 CarbonylContact O-C 3.25Å; Y1474-I1477 PolarHBondContact O-N 2.72Å; Y1474-I1477 VanDerWaalsContact O-N 3.11Å |
| 1478 | E | 30.6 | Very low | 40.4 | Very low | 134 Ų | 134 | 131.5 Ų | 131.5 | 63% | 0.626 | 65% | 0.646 | S | S | * | * | trans | -138.1 | 66.9 | 162.1 | -146.6 | 174.2 | -138.6 | 0 | 0 | 108.9 | Y1474 | Y1474-E1478 HydrophobicContact CE1-CB 4.34Å; Y1474-E1478 HydrophobicContact CE1-CG 4.4Å; Y1474-E1478 WeakPolarHBondContact CE1-OE2 3.21Å; Y1474-E1478 PolarHBondContact O-N 2.87Å; Y1474-E1478 PolarHBondContact OH-OE1 2.88Å | ||
| 1479 | R | 27.7 | Very low | 38.4 | Very low | 242 Ų | 242 | 136.3 Ų | 136.3 | 91% | 0.913 | 66% | 0.661 | S | S | * | * | trans | -128.6 | 84.4 | 160 | -86.5 | -170.6 | 176.8 | -173.1 | 0.6 | 108.5 | ||||
| 1480 | S | 33.2 | Very low | 36.5 | Very low | 98 Ų | 98 | 134.9 Ų | 134.9 | 69% | 0.685 | 66% | 0.66 | S | S | * | * | S | Bend | 178.9 | 101.7 | 130 | 54.2 | 0 | 0 | 0 | 0 | 113 | |||
| 1481 | I | 33.6 | Very low | 34.6 | Very low | 154 Ų | 154 | 138.8 Ų | 138.8 | 79% | 0.79 | 68% | 0.675 | S | S | * | * | 70.9 | 103.7 | 122.7 | -59.6 | 159.9 | 0 | 0 | 0 | 115.5 | |||||
| 1482 | I | 27.5 | Very low | 33 | Very low | 149 Ų | 149 | 141.3 Ų | 141.3 | 76% | 0.764 | 69% | 0.689 | S | S | * | * | cis | 57.9 | 137.7 | 49.8 | -55.7 | 179.7 | 0 | 0 | 0 | 111.9 | ||||
| 1483 | P | 35 | Very low | 31.5 | Very low | 91 Ų | 91 | 139 Ų | 139 | 59% | 0.591 | 69% | 0.686 | S | S | * | * | cis | -155.6 | -160.6 | -36.3 | 46 | -25.9 | 0 | 0 | 0 | 113.6 | ||||
| 1484 | K | 24.4 | Very low | 30.1 | Very low | 190 Ų | 190 | 140.6 Ų | 140.6 | 83% | 0.826 | 69% | 0.691 | S | S | * | * | trans | 71.1 | 152.2 | 143.5 | -76.6 | 177.2 | -171.2 | -177.9 | 0 | 118.4 | ||||
| 1485 | N | 24.9 | Very low | 29.2 | Very low | 126 Ų | 126 | 142 Ų | 142 | 67% | 0.674 | 70% | 0.695 | S | S | * | * | cis | -175.6 | 156.5 | -22.1 | -156.8 | 22.1 | 0 | 0 | 0 | 104.3 | ||||
| 1486 | N | 25.6 | Very low | 28.3 | Very low | 108 Ų | 108 | 139.5 Ų | 139.5 | 58% | 0.578 | 69% | 0.69 | S | S | * | * | trans | 74.6 | 122.1 | 145 | -83.8 | 24.3 | 0 | 0 | 0 | 122 | ||||
| 1487 | D | 25 | Very low | 27.5 | Very low | 120 Ų | 120 | 139.7 Ų | 139.7 | 64% | 0.642 | 69% | 0.69 | S | S | * | * | 103.8 | 111.7 | 119 | -73 | -18.9 | 0 | 0 | 0 | 120.3 | |||||
| 1488 | I | 24.9 | Very low | 26.6 | Very low | 130 Ų | 130 | 139.9 Ų | 139.9 | 67% | 0.667 | 69% | 0.693 | S | S | * | * | 92.6 | 126.7 | 121.8 | -65.3 | 170.8 | 0 | 0 | 0 | 119.7 | |||||
| 1489 | H | 24.8 | Very low | 26.3 | Very low | 168 Ų | 168 | 137.9 Ų | 137.9 | 78% | 0.778 | 69% | 0.694 | S | S | * | * | trans | 68.5 | 105.1 | 152.9 | -70.5 | -40.1 | 0 | 0 | 0 | 122.6 | ||||
| 1490 | N | 25.4 | Very low | 26.1 | Very low | 128 Ų | 128 | 135.2 Ų | 135.2 | 68% | 0.684 | 69% | 0.689 | S | S | * | * | 51.2 | 125.9 | 104.5 | -135.9 | 8.6 | 0 | 0 | 0 | 120.7 | |||||
| 1491 | N | 25.1 | Very low | 25.6 | Very low | 112 Ų | 112 | 135.2 Ų | 135.2 | 60% | 0.599 | 69% | 0.685 | S | S | * | * | trans | 88.7 | 120.2 | 136.4 | -87.8 | -21 | 0 | 0 | 0 | 121.5 | ||||
| 1492 | N | 24.9 | Very low | 25.2 | Very low | 141 Ų | 141 | 134.3 Ų | 134.3 | 75% | 0.754 | 68% | 0.68 | S | S | * | * | trans | 73.8 | 140 | 139.6 | -57.3 | -33.1 | 0 | 0 | 0 | 114.5 | ||||
| 1493 | A | 24 | Very low | 25 | Very low | 70 Ų | 70 | 135 Ų | 135 | 58% | 0.579 | 68% | 0.678 | S | S | * | * | cis | -174.3 | 149.9 | 26.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1494 | R | 24.8 | Very low | 24.4 | Very low | 198 Ų | 198 | 137.4 Ų | 137.4 | 75% | 0.747 | 69% | 0.686 | S | S | * | * | 63.8 | 148 | 127.9 | -69.2 | 176.4 | 175 | -175.8 | 3.8 | 117.6 | |||||
| 1495 | R | 24.1 | Very low | 24.5 | Very low | 165 Ų | 165 | 131.9 Ų | 131.9 | 62% | 0.623 | 68% | 0.683 | S | S | * | * | cis | -170.5 | 137.6 | 12.7 | -115.8 | 167.5 | -176.9 | -175.7 | -0.9 | 104 | ||||
| 1496 | K | 25.7 | Very low | 24.4 | Very low | 149 Ų | 149 | 133.1 Ų | 133.1 | 65% | 0.648 | 69% | 0.689 | S | S | * | * | 75.8 | 128.1 | 90.7 | -149.1 | -168.2 | -135 | -169.6 | 0 | 110.4 | |||||
| 1497 | I | 24.9 | Very low | 24.6 | Very low | 142 Ų | 142 | 135.4 Ų | 135.4 | 73% | 0.728 | 70% | 0.7 | S | S | * | * | -178.1 | 116.9 | 99.3 | -89.6 | 158.6 | 0 | 0 | 0 | 104.3 | |||||
| 1498 | N | 22.3 | Very low | 24.6 | Very low | 122 Ų | 122 | 141 Ų | 141 | 65% | 0.652 | 71% | 0.714 | S | S | * | * | 66.8 | 140.3 | 96.4 | -65.9 | -11.7 | 0 | 0 | 0 | 111.5 | |||||
| 1499 | S | 24.5 | Very low | 24.6 | Very low | 92 Ų | 92 | 139.1 Ų | 139.1 | 64% | 0.643 | 71% | 0.712 | S | S | * | * | cis | 171.9 | 162.2 | 7.5 | 46.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1500 | K | 23.4 | Very low | 24.6 | Very low | 187 Ų | 187 | 140 Ų | 140 | 81% | 0.813 | 72% | 0.717 | S | S | * | * | trans | 69.8 | 143.9 | 136 | -90.4 | -173.6 | 173.4 | -176 | 0 | 117.3 | ||||
| 1501 | T | 23.5 | Very low | 24.8 | Very low | 98 Ų | 98 | 140.8 Ų | 140.8 | 60% | 0.601 | 72% | 0.721 | S | S | * | * | cis | 171.5 | 161.5 | -10 | 15.6 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 1502 | I | 24.2 | Very low | 25 | Very low | 135 Ų | 135 | 141.9 Ų | 141.9 | 69% | 0.692 | 73% | 0.725 | S | S | * | * | trans | 80.2 | 134 | 144.8 | -68.5 | 153 | 0 | 0 | 0 | 116.8 | ||||
| 1503 | F | 23 | Very low | 25.1 | Very low | 162 Ų | 162 | 144.3 Ų | 144.3 | 71% | 0.711 | 74% | 0.735 | S | S | * | * | cis | -168.4 | 161.1 | 3.6 | -120.9 | -146.8 | 0 | 0 | 0 | 110.6 | ||||
| 1504 | N | 23.1 | Very low | 25.2 | Very low | 142 Ų | 142 | 146.7 Ų | 146.7 | 76% | 0.759 | 74% | 0.738 | S | S | * | * | trans | 66.9 | 134.4 | 139.9 | -72.1 | 8.3 | 0 | 0 | 0 | 124.1 | ||||
| 1505 | G | 25.7 | Very low | 25.3 | Very low | 75 Ų | 75 | 148.9 Ų | 148.9 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | trans | 162.8 | 101.9 | 154.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1506 | D | 24.5 | Very low | 25.5 | Very low | 151 Ų | 151 | 145.9 Ų | 145.9 | 81% | 0.807 | 75% | 0.746 | S | S | * | * | trans | -53.1 | 156.7 | -173.7 | -56.7 | -70.1 | 0 | 0 | 0 | 116.8 | ||||
| 1507 | I | 28.8 | Very low | 25.7 | Very low | 156 Ų | 156 | 147.2 Ų | 147.2 | 80% | 0.8 | 75% | 0.754 | S | S | * | * | 175.8 | 130.3 | 115.2 | -83.7 | 154.5 | 0 | 0 | 0 | 110.4 | S1509 | I1507-S1509 PolarHBondContact O-N 2.85Š| |||
| 1508 | Y | 25.2 | Very low | 25.9 | Very low | 237 Ų | 237 | 148.4 Ų | 148.4 | 93% | 0.929 | 76% | 0.761 | S | S | * | * | trans | -49.8 | 112 | 158.3 | -100.1 | -107.9 | 0 | 0 | 0 | 111.6 | ||||
| 1509 | S | 24.8 | Very low | 26.1 | Very low | 91 Ų | 91 | 146.3 Ų | 146.3 | 64% | 0.636 | 76% | 0.756 | S | S | * | * | trans | -169.5 | 109.6 | 140.9 | 62.8 | 0 | 0 | 0 | 0 | 111.3 | I1507 N1511 | I1507-S1509 PolarHBondContact O-N 2.85Å; S1509-N1511 PolarHBondContact O-N 2.83Å | ||
| 1510 | Q | 25.9 | Very low | 26.2 | Very low | 188 Ų | 188 | 149.2 Ų | 149.2 | 88% | 0.879 | 77% | 0.765 | S | S | * | * | trans | 35.7 | 80 | 144.4 | -57 | -165.7 | -7 | 0 | 0 | 117.6 | ||||
| 1511 | N | 27.6 | Very low | 26.3 | Very low | 144 Ų | 144 | 146.3 Ų | 146.3 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | trans | -105.9 | 117.3 | 157.3 | -77.8 | -45.5 | 0 | 0 | 0 | 107.5 | S1509 | S1509-N1511 PolarHBondContact O-N 2.83Š| ||
| 1512 | I | 30.2 | Very low | 26.2 | Very low | 134 Ų | 134 | 145.2 Ų | 145.2 | 69% | 0.687 | 75% | 0.753 | S | S | * | * | 59 | 80.5 | 71.6 | -56.3 | 168.4 | 0 | 0 | 0 | 107.7 | |||||
| 1513 | M | 27.1 | Very low | 26.3 | Very low | 192 Ų | 192 | 143.4 Ų | 143.4 | 95% | 0.946 | 75% | 0.749 | S | S | * | * | trans | -78.5 | 125.8 | 152.5 | -105.7 | -162 | -90.5 | 0 | 0 | 107.7 | ||||
| 1514 | N | 26.6 | Very low | 26.4 | Very low | 120 Ų | 120 | 140.3 Ų | 140.3 | 64% | 0.642 | 74% | 0.744 | S | S | * | * | trans | -48.6 | 135.7 | -177.1 | -88.3 | -33.8 | 0 | 0 | 0 | 113.8 | T1516 | N1514-T1516 PolarHBondContact O-N 2.84Š| ||
| 1515 | R | 27.1 | Very low | 27 | Very low | 244 Ų | 244 | 136.6 Ų | 136.6 | 92% | 0.921 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | 20.2 | 174.6 | -140.3 | 178.6 | -144.4 | -153.8 | 3.1 | 114.5 | ||
| 1516 | T | 28.1 | Very low | 27.7 | Very low | 102 Ų | 102 | 141.5 Ų | 141.5 | 63% | 0.626 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.9 | 11 | -170.4 | 50.6 | 0 | 0 | 0 | 0 | 114 | N1514 | N1514-T1516 PolarHBondContact O-N 2.84Š|
| 1517 | Q | 29.2 | Very low | 29.5 | Very low | 177 Ų | 177 | 137 Ų | 137 | 83% | 0.827 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -121.5 | 0.3 | 171.5 | -74.6 | -92.7 | -34.8 | 0 | 0 | 113.3 | ||
| 1518 | L | 28.3 | Very low | 31.3 | Very low | 167 Ų | 167 | 131 Ų | 131 | 87% | 0.874 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -98.3 | 0.8 | 176.8 | -139.1 | 85.1 | 0 | 0 | 0 | 113.5 | ||
| 1519 | S | 26.5 | Very low | 33.8 | Very low | 78 Ų | 78 | 124 Ų | 124 | 55% | 0.545 | 65% | 0.652 | S | S | . | * | S | Bend | trans | -98.7 | 8.2 | -168 | 55.4 | 0 | 0 | 0 | 0 | 115.4 | ||
| 1520 | N | 26.5 | Very low | 36.8 | Very low | 153 Ų | 153 | 119.8 Ų | 119.8 | 82% | 0.818 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -117.2 | 27.9 | -175.6 | -77.7 | -1.2 | 0 | 0 | 0 | 114.7 | ||
| 1521 | L | 25.4 | Very low | 39.7 | Very low | 126 Ų | 126 | 111.5 Ų | 111.5 | 66% | 0.66 | 59% | 0.585 | S | S | * | * | trans | -128.4 | 63.1 | 172 | -90.8 | 130.6 | 0 | 0 | 0 | 110.4 | I1525 V1553 | L1521-I1525 HydrophobicContact CD2-CD1 4.39Å; L1521-V1553 HydrophobicContact CD2-CG1 4.36Å; L1521-V1553 HydrophobicContact CD2-CG2 4.45Å | ||
| 1522 | C | 23 | Very low | 42.7 | Very low | 76 Ų | 76 | 106.2 Ų | 106.2 | 51% | 0.514 | 56% | 0.557 | S | S | . | * | trans | -119.3 | 69.7 | 173.2 | -75 | 0 | 0 | 0 | 0 | 110.8 | P368 | P368-C1522 HydrophobicContact CB-CB 4.26Š| ||
| 1523 | T | 26 | Very low | 45.3 | Very low | 97 Ų | 97 | 101.8 Ų | 101.8 | 60% | 0.595 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -108.1 | 142.8 | 142.5 | 48.5 | 0 | 0 | 0 | 0 | 106.3 | I1525 | T1523-I1525 VanDerWaalsContact C-N 3.26Å; T1523-I1525 PolarHBondContact O-N 2.92Å |
| 1524 | P | 26 | Very low | 48 | Very low | 96 Ų | 96 | 96.3 Ų | 96.3 | 62% | 0.623 | 52% | 0.517 | S | S | * | . | trans | -63.5 | 101.4 | 165.7 | 26.9 | -27.9 | 0 | 0 | 0 | 105 | E1526 | P1524-E1526 PolarHBondContact O-N 3.27Š| ||
| 1525 | I | 34.3 | Very low | 50.9 | Low | 65 Ų | 65 | 97.2 Ų | 97.2 | 33% | 0.333 | 52% | 0.516 | S | S | . | . | trans | -70.8 | 96 | 178.9 | -61 | 159.1 | 0 | 0 | 0 | 105 | L1521 T1523 W1527 V1553 L1557 | L1521-I1525 HydrophobicContact CD2-CD1 4.39Å; T1523-I1525 VanDerWaalsContact C-N 3.26Å; T1523-I1525 PolarHBondContact O-N 2.92Å; I1525-W1527 PolarHBondContact O-N 3.18Å; I1525-V1553 HydrophobicContact CD1-CG1 3.5Å; I1525-L1557 HydrophobicContact CB-CD1 3.6Å; I1525-L1557 HydrophobicContact CB-CD2 3.99Å; I1525-L1557 HydrophobicContact CB-CG 4.35Å; I1525-L1557 HydrophobicContact CD1-CD1 3.76Å; I1525-L1557 HydrophobicContact CG1-CD1 4.27Å; I1525-L1557 HydrophobicContact CG2-CD1 3.25Å; I1525-L1557 HydrophobicContact CG2-CD2 4.2Å; I1525-L1557 HydrophobicContact CG2-CG 4.34Å; I1525-L1557 WeakPolarHBondContact O-CD2 3.43Å | ||
| 1526 | E | 40.4 | Very low | 53.9 | Low | 177 Ų | 177 | 86 Ų | 86 | 83% | 0.827 | 47% | 0.473 | S | S | * | . | P | Polyproline II helix | trans | -47.4 | 132.8 | 175.9 | -114.7 | -179.4 | 173.2 | 0 | 0 | 108.9 | P1524 | P1524-E1526 PolarHBondContact O-N 3.27Š|
| 1527 | W | 63.3 | Low | 56.8 | Low | 57 Ų | 57 | 83.5 Ų | 83.5 | 22% | 0.216 | 46% | 0.455 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 129.3 | -177.5 | -155.9 | -143.2 | 0 | 0 | 0 | 108.6 | I1525 T1529 Q1554 L1557 I1558 P1811 L1815 | I1525-W1527 PolarHBondContact O-N 3.18Å; W1527-T1529 PolarHBondContact O-N 2.85Å; W1527-T1529 VanDerWaalsContact O-N 3.15Å; W1527-Q1554 HydrophobicContact CZ3-CG 4.42Å; W1527-L1557 HydrophobicContact CE3-CB 3.86Å; W1527-L1557 HydrophobicContact CE3-CD2 4.01Å; W1527-L1557 HydrophobicContact CE3-CG 4.46Å; W1527-L1557 HydrophobicContact CH2-CB 4.22Å; W1527-L1557 HydrophobicContact CZ3-CB 3.37Å; W1527-L1557 HydrophobicContact CZ3-CD2 4.37Å; W1527-L1557 HydrophobicContact CZ3-CG 4.34Å; W1527-I1558 HydrophobicContact CH2-CB 4.44Å; W1527-I1558 HydrophobicContact CH2-CD1 4.42Å; W1527-I1558 HydrophobicContact CH2-CG1 3.42Å; W1527-I1558 VanDerWaalsContact CH2-CG1 3.42Å; W1527-I1558 HydrophobicContact CZ2-CG1 4.05Å; W1527-I1558 HydrophobicContact CZ3-CG1 4.43Å; W1527-P1811 HydrophobicContact CH2-CB 3.31Å; W1527-P1811 HydrophobicContact CH2-CG 4.38Å; W1527-P1811 HydrophobicContact CZ2-CB 3.38Å; W1527-P1811 HydrophobicContact CZ3-CB 4.28Å; W1527-L1815 VanDerWaalsContact CE2-CD1 3.44Å; W1527-L1815 HydrophobicContact CZ2-CD1 3.39Å; W1527-L1815 HydrophobicContact CZ2-CG 4.01Å |
| 1528 | P | 65.5 | Low | 59.6 | Low | 30 Ų | 30 | 78 Ų | 78 | 20% | 0.195 | 44% | 0.44 | C | S | . | . | P | Polyproline II helix | trans | -56.4 | 122.8 | -172 | -21 | 28.8 | 0 | 0 | 0 | 110.7 | Q1554 P1811 | P1528-Q1554 HydrophobicContact CG-CG 3.71Å; P1528-P1811 HydrophobicContact CB-CG 3.92Å; P1528-P1811 HydrophobicContact CG-CB 4.48Å; P1528-P1811 HydrophobicContact CG-CG 3.86Å |
| 1529 | T | 78.9 | Confident | 62.4 | Low | 90 Ų | 90 | 73.8 Ų | 73.8 | 55% | 0.552 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -73 | 147 | 177 | 55.7 | 0 | 0 | 0 | 0 | 110.8 | W1527 V1531 | W1527-T1529 PolarHBondContact O-N 2.85Å; W1527-T1529 VanDerWaalsContact O-N 3.15Å; T1529-V1531 PolarHBondContact O-N 3.24Å |
| 1530 | P | 86.4 | Confident | 65.4 | Low | 3 Ų | 3 | 71.6 Ų | 71.6 | 2% | 0.019 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -48.9 | 135.8 | 170.8 | -24.7 | 28.4 | 0 | 0 | 0 | 113 | C1624 V1627 Y1808 D1809 | P1530-C1624 HydrophobicContact CB-CB 4.07Å; P1530-C1624 HydrophobicContact CG-CB 4.19Å; P1530-V1627 WeakPolarHBondContact CD-O 3.44Å; P1530-Y1808 WeakPolarHBondContact CA-O 3.39Å; P1530-D1809 HydrophobicContact CB-CB 4.21Å; P1530-D1809 HydrophobicContact CG-CB 4.11Å |
| 1531 | V | 88.3 | Confident | 68.3 | Low | 14 Ų | 14 | 68.8 Ų | 68.8 | 9% | 0.085 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 149.4 | -175.6 | -69.9 | 0 | 0 | 0 | 0 | 112.5 | T1529 K1535 F1536 Y1807 Y1808 | T1529-V1531 PolarHBondContact O-N 3.24Å; V1531-K1535 HydrophobicContact CB-CB 4.3Å; V1531-F1536 HydrophobicContact CG2-CB 3.9Å; V1531-F1536 HydrophobicContact CG2-CD2 3.65Å; V1531-F1536 HydrophobicContact CG2-CG 4.28Å; V1531-Y1807 WeakPolarHBondContact O-CA 3.31Å; V1531-Y1808 PolarHBondContact N-O 3.05Å; V1531-Y1808 PolarHBondContact O-N 3.47Å |
| 1532 | T | 90 | Very high | 71.1 | Confident | 32 Ų | 32 | 67.8 Ų | 67.8 | 20% | 0.196 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 158.9 | 171 | 62.2 | 0 | 0 | 0 | 0 | 111.3 | S1534 K1535 F1536 V1806 Y1807 | T1532-S1534 VanDerWaalsContact C-N 3.28Å; T1532-S1534 PolarHBondContact O-N 2.81Å; T1532-S1534 PolarHBondContact OG1-OG 2.81Å; T1532-K1535 PolarHBondContact O-N 2.82Å; T1532-K1535 VanDerWaalsContact O-N 3.13Å; T1532-K1535 PolarHBondContact OG1-N 2.86Å; T1532-F1536 WeakPolarHBondContact O-CB 3.37Å; T1532-F1536 PolarHBondContact O-N 2.87Å; T1532-V1806 WeakPolarHBondContact CA-O 3.36Å; T1532-V1806 HydrophobicContact CG2-CG1 4.27Å; T1532-Y1807 HydrophobicContact CG2-CD1 4.02Å; T1532-Y1807 HydrophobicContact CG2-CE1 3.79Å |
| 1533 | T | 83.9 | Confident | 74.1 | Confident | 41 Ų | 41 | 66 Ų | 66 | 25% | 0.252 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -51.8 | -44.9 | 175.8 | 32.6 | 0 | 0 | 0 | 0 | 112.9 | F1536 M1537 Y1808 F1842 | T1533-F1536 PolarHBondContact O-N 2.9Å; T1533-M1537 WeakPolarHBondContact O-CG 3.24Å; T1533-M1537 PolarHBondContact O-N 2.9Å; T1533-M1537 VanDerWaalsContact O-N 3.09Å; T1533-Y1808 HydrophobicContact CG2-CD2 4.28Å; T1533-Y1808 HydrophobicContact CG2-CE2 3.64Å; T1533-F1842 HydrophobicContact CG2-CB 3.97Å; T1533-F1842 HydrophobicContact CG2-CD1 3.93Å; T1533-F1842 HydrophobicContact CG2-CD2 4.23Å; T1533-F1842 HydrophobicContact CG2-CG 3.78Å |
| 1534 | S | 84 | Confident | 76.9 | Confident | 78 Ų | 78 | 63.9 Ų | 63.9 | 55% | 0.545 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.4 | -44.2 | 178 | 49.7 | 0 | 0 | 0 | 0 | 112.8 | T1532 A1538 | T1532-S1534 VanDerWaalsContact C-N 3.28Å; T1532-S1534 PolarHBondContact O-N 2.81Å; T1532-S1534 PolarHBondContact OG1-OG 2.81Å; S1534-A1538 PolarHBondContact O-N 2.83Å |
| 1535 | K | 87.8 | Confident | 79.7 | Confident | 139 Ų | 139 | 67 Ų | 67 | 60% | 0.604 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -69 | -37.7 | 176.1 | -83.9 | -172.9 | 173.3 | -177.9 | 0 | 112.3 | V1531 T1532 A1538 Q1539 | V1531-K1535 HydrophobicContact CB-CB 4.3Å; T1532-K1535 PolarHBondContact O-N 2.82Å; T1532-K1535 VanDerWaalsContact O-N 3.13Å; T1532-K1535 PolarHBondContact OG1-N 2.86Å; K1535-A1538 PolarHBondContact O-N 3.06Å; K1535-Q1539 WeakPolarHBondContact O-CB 3.5Å; K1535-Q1539 PolarHBondContact O-N 2.86Å |
| 1536 | F | 90.8 | Very high | 82 | Confident | 8 Ų | 8 | 67.1 Ų | 67.1 | 4% | 0.035 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.5 | -47.7 | 178.3 | -172.3 | -81 | 0 | 0 | 0 | 111 | V1531 T1532 T1533 A1538 Q1539 Y1540 I1810 H1835 A1838 N1839 F1842 | V1531-F1536 HydrophobicContact CG2-CB 3.9Å; V1531-F1536 HydrophobicContact CG2-CD2 3.65Å; V1531-F1536 HydrophobicContact CG2-CG 4.28Å; T1532-F1536 WeakPolarHBondContact O-CB 3.37Å; T1532-F1536 PolarHBondContact O-N 2.87Å; T1533-F1536 PolarHBondContact O-N 2.9Å; F1536-A1538 VanDerWaalsContact C-N 3.32Å; F1536-A1538 PolarHBondContact O-N 3.33Å; F1536-Q1539 PolarHBondContact O-N 2.85Å; F1536-Y1540 WeakPolarHBondContact O-CB 3.4Å; F1536-Y1540 PolarHBondContact O-N 2.81Å; F1536-I1810 HydrophobicContact CE2-CD1 3.68Å; F1536-I1810 HydrophobicContact CE2-CG1 4.35Å; F1536-I1810 HydrophobicContact CZ-CD1 3.67Å; F1536-H1835 AromaticContact CE2-CD2 3.99Å; F1536-H1835 HydrophobicContact CZ-CB 4.37Å; F1536-H1835 AromaticContact CZ-CD2 3.73Å; F1536-A1838 HydrophobicContact CD1-CB 4.47Å; F1536-A1838 HydrophobicContact CE1-CB 3.53Å; F1536-A1838 HydrophobicContact CE2-CB 4.34Å; F1536-A1838 HydrophobicContact CZ-CB 3.45Å; F1536-A1838 VanDerWaalsContact CZ-CB 3.45Å; F1536-N1839 HydrophobicContact CE1-CB 4.26Å; F1536-F1842 HydrophobicContact CB-CD2 4.16Å; F1536-F1842 HydrophobicContact CB-CE2 4.29Å; F1536-F1842 AromaticContact CD1-CD2 3.55Å; F1536-F1842 HydrophobicContact CD1-CD2 3.55Å; F1536-F1842 AromaticContact CD1-CE2 3.71Å; F1536-F1842 HydrophobicContact CD1-CE2 3.71Å; F1536-F1842 HydrophobicContact CD2-CE2 4.13Å; F1536-F1842 HydrophobicContact CE1-CD2 4.14Å; F1536-F1842 HydrophobicContact CE1-CE2 4.06Å; F1536-F1842 HydrophobicContact CE2-CE2 4.46Å; F1536-F1842 AromaticContact CG-CD2 3.87Å; F1536-F1842 HydrophobicContact CG-CD2 3.87Å; F1536-F1842 AromaticContact CG-CE2 3.76Å; F1536-F1842 HydrophobicContact CG-CE2 3.76Å; F1536-F1842 HydrophobicContact CZ-CE2 4.43Å |
| 1537 | M | 89.2 | Confident | 84 | Confident | 50 Ų | 50 | 62.9 Ų | 62.9 | 25% | 0.246 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.8 | -41.4 | 178.2 | -70.8 | -169.7 | -76.1 | 0 | 0 | 112 | T1533 Y1540 E1541 F1842 R1843 | T1533-M1537 WeakPolarHBondContact O-CG 3.24Å; T1533-M1537 PolarHBondContact O-N 2.9Å; T1533-M1537 VanDerWaalsContact O-N 3.09Å; M1537-Y1540 PolarHBondContact O-N 3.04Å; M1537-E1541 PolarHBondContact O-N 3Å; M1537-E1541 VanDerWaalsContact O-N 3.12Å; M1537-F1842 HydrophobicContact CG-CB 4.25Å; M1537-F1842 HydrophobicContact SD-CB 4.41Å; M1537-R1843 HydrophobicContact CG-CG 4.45Å; M1537-R1843 HydrophobicContact SD-CB 4.34Å; M1537-R1843 HydrophobicContact SD-CG 3.43Å; M1537-R1843 WeakPolarHBondContact SD-CG 3.49Å |
| 1538 | A | 86.7 | Confident | 85.3 | Confident | 61 Ų | 61 | 62.2 Ų | 62.2 | 50% | 0.504 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66.3 | -42.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S1534 K1535 F1536 E1541 N1542 | S1534-A1538 PolarHBondContact O-N 2.83Å; K1535-A1538 PolarHBondContact O-N 3.06Å; F1536-A1538 VanDerWaalsContact C-N 3.32Å; F1536-A1538 PolarHBondContact O-N 3.33Å; A1538-E1541 PolarHBondContact O-N 3.29Å; A1538-N1542 PolarHBondContact O-N 2.72Å |
| 1539 | Q | 87.2 | Confident | 86.1 | Confident | 78 Ų | 78 | 63 Ų | 63 | 36% | 0.364 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.7 | -43.6 | 175.2 | -92.5 | -171.5 | -6.6 | 0 | 0 | 111.7 | K1535 F1536 E1541 N1542 Y1543 | K1535-Q1539 WeakPolarHBondContact O-CB 3.5Å; K1535-Q1539 PolarHBondContact O-N 2.86Å; F1536-Q1539 PolarHBondContact O-N 2.85Å; Q1539-E1541 PolarHBondContact O-N 2.77Å; Q1539-N1542 CarbonylContact O-C 3.6Å; Q1539-N1542 WeakPolarHBondContact O-CA 3.28Å; Q1539-N1542 WeakPolarHBondContact O-CB 3.38Å; Q1539-N1542 PolarHBondContact O-N 2.85Å; Q1539-Y1543 HydrophobicContact CB-CD2 4.45Å; Q1539-Y1543 HydrophobicContact CB-CE2 3.8Å; Q1539-Y1543 VanDerWaalsContact CD-OH 3.22Å; Q1539-Y1543 HydrophobicContact CG-CE2 4.49Å; Q1539-Y1543 WeakPolarHBondContact O-CD2 3.42Å; Q1539-Y1543 VanDerWaalsContact O-CG 3.27Å; Q1539-Y1543 PolarHBondContact O-N 3.13Å; Q1539-Y1543 PolarHBondContact OE1-OH 2.7Å; Q1539-Y1543 VanDerWaalsContact OE1-OH 3.09Å |
| 1540 | Y | 89.6 | Confident | 86.3 | Confident | 32 Ų | 32 | 60.5 Ų | 60.5 | 13% | 0.125 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.5 | -43.7 | 179.2 | 177.8 | -93.1 | 0 | 0 | 0 | 112.1 | F1536 M1537 N1542 Y1543 S1544 F1548 H1835 Q1836 N1839 | F1536-Y1540 WeakPolarHBondContact O-CB 3.4Å; F1536-Y1540 PolarHBondContact O-N 2.81Å; M1537-Y1540 PolarHBondContact O-N 3.04Å; Y1540-N1542 PolarHBondContact O-N 2.98Å; Y1540-Y1543 PolarHBondContact O-N 3.16Å; Y1540-S1544 PolarHBondContact O-N 2.71Å; Y1540-F1548 HydrophobicContact CE2-CE1 4.12Å; Y1540-H1835 HydrophobicContact CD2-CB 4.04Å; Y1540-H1835 HydrophobicContact CE2-CB 4.22Å; Y1540-Q1836 HydrophobicContact CE2-CB 4.33Å; Y1540-Q1836 HydrophobicContact CE2-CG 3.97Å; Y1540-Q1836 WeakPolarHBondContact OH-CG 3.47Å; Y1540-N1839 HydrophobicContact CD1-CB 3.6Å; Y1540-N1839 WeakPolarHBondContact CD1-ND2 3.3Å; Y1540-N1839 WeakPolarHBondContact CD1-OD1 3.49Å; Y1540-N1839 HydrophobicContact CD2-CB 4Å; Y1540-N1839 HydrophobicContact CE1-CB 3.96Å; Y1540-N1839 WeakPolarHBondContact CE1-ND2 3.44Å; Y1540-N1839 HydrophobicContact CE2-CB 4.33Å; Y1540-N1839 HydrophobicContact CG-CB 3.62Å |
| 1541 | E | 86.8 | Confident | 86.5 | Confident | 95 Ų | 95 | 60.3 Ų | 60.3 | 44% | 0.444 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -56.9 | -37 | 173.4 | -79.1 | -169.2 | 177 | 0 | 0 | 111.3 | M1537 A1538 Q1539 S1544 K1545 R1843 | M1537-E1541 PolarHBondContact O-N 3Å; M1537-E1541 VanDerWaalsContact O-N 3.12Å; A1538-E1541 PolarHBondContact O-N 3.29Å; Q1539-E1541 PolarHBondContact O-N 2.77Å; E1541-S1544 PolarHBondContact O-N 2.54Å; E1541-S1544 PolarHBondContact O-OG 2.96Å; E1541-K1545 WeakPolarHBondContact O-CG 3.48Å; E1541-K1545 PolarHBondContact O-N 2.99Å; E1541-R1843 IonicContact OE1-CZ 3.73Å; E1541-R1843 IonicContact OE1-NH2 3.89Å; E1541-R1843 PolarHBondContact OE1-NH2 2.74Å |
| 1542 | N | 84.9 | Confident | 86.5 | Confident | 104 Ų | 104 | 64.6 Ų | 64.6 | 56% | 0.556 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -70.4 | -44.6 | 176.7 | -134.6 | 25.4 | 0 | 0 | 0 | 112.7 | A1538 Q1539 Y1540 S1544 K1545 | A1538-N1542 PolarHBondContact O-N 2.72Å; Q1539-N1542 CarbonylContact O-C 3.6Å; Q1539-N1542 WeakPolarHBondContact O-CA 3.28Å; Q1539-N1542 WeakPolarHBondContact O-CB 3.38Å; Q1539-N1542 PolarHBondContact O-N 2.85Å; Y1540-N1542 PolarHBondContact O-N 2.98Å; N1542-S1544 PolarHBondContact O-N 3.19Å; N1542-K1545 WeakPolarHBondContact O-CB 3.42Å; N1542-K1545 PolarHBondContact O-N 2.96Å; N1542-K1545 VanDerWaalsContact O-N 3.14Å |
| 1543 | Y | 87.3 | Confident | 86.3 | Confident | 40 Ų | 40 | 65.5 Ų | 65.5 | 16% | 0.157 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62 | -28.6 | 174.7 | -57.7 | -34.2 | 0 | 0 | 0 | 112.7 | Q1539 Y1540 K1545 F1548 A1550 L1551 | Q1539-Y1543 HydrophobicContact CB-CD2 4.45Å; Q1539-Y1543 HydrophobicContact CB-CE2 3.8Å; Q1539-Y1543 VanDerWaalsContact CD-OH 3.22Å; Q1539-Y1543 HydrophobicContact CG-CE2 4.49Å; Q1539-Y1543 WeakPolarHBondContact O-CD2 3.42Å; Q1539-Y1543 VanDerWaalsContact O-CG 3.27Å; Q1539-Y1543 PolarHBondContact O-N 3.13Å; Q1539-Y1543 PolarHBondContact OE1-OH 2.7Å; Q1539-Y1543 VanDerWaalsContact OE1-OH 3.09Å; Y1540-Y1543 PolarHBondContact O-N 3.16Å; Y1543-K1545 VanDerWaalsContact C-N 3.32Å; Y1543-F1548 VanDerWaalsContact O-CA 3.27Å; Y1543-F1548 WeakPolarHBondContact O-CA 3.33Å; Y1543-F1548 WeakPolarHBondContact O-CD1 3.41Å; Y1543-F1548 PolarHBondContact O-N 3.3Å; Y1543-A1550 HydrophobicContact CD1-CB 3.69Å; Y1543-A1550 HydrophobicContact CE1-CB 3.89Å; Y1543-L1551 HydrophobicContact CD2-CD1 4.23Å; Y1543-L1551 HydrophobicContact CD2-CD2 3.61Å; Y1543-L1551 HydrophobicContact CD2-CG 3.96Å; Y1543-L1551 HydrophobicContact CE2-CD2 3.78Å; Y1543-L1551 HydrophobicContact CG-CD1 4.44Å; Y1543-L1551 HydrophobicContact CG-CD2 4.07Å; Y1543-L1551 HydrophobicContact CG-CG 3.99Å |
| 1544 | S | 84.5 | Confident | 86.5 | Confident | 52 Ų | 52 | 64.6 Ų | 64.6 | 36% | 0.364 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -71.7 | -27.6 | 177.5 | 75.1 | 0 | 0 | 0 | 0 | 112.9 | Y1540 E1541 N1542 | Y1540-S1544 PolarHBondContact O-N 2.71Å; E1541-S1544 PolarHBondContact O-N 2.54Å; E1541-S1544 PolarHBondContact O-OG 2.96Å; N1542-S1544 PolarHBondContact O-N 3.19Å |
| 1545 | K | 83.1 | Confident | 87 | Confident | 161 Ų | 161 | 61.2 Ų | 61.2 | 70% | 0.7 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -71.7 | -28.6 | -178.1 | -70.6 | 172.2 | -174.1 | 173.2 | 0 | 113.2 | E1541 N1542 Y1543 | E1541-K1545 WeakPolarHBondContact O-CG 3.48Å; E1541-K1545 PolarHBondContact O-N 2.99Å; N1542-K1545 WeakPolarHBondContact O-CB 3.42Å; N1542-K1545 PolarHBondContact O-N 2.96Å; N1542-K1545 VanDerWaalsContact O-N 3.14Å; Y1543-K1545 VanDerWaalsContact C-N 3.32Å |
| 1546 | D | 82.6 | Confident | 87 | Confident | 67 Ų | 67 | 59.9 Ų | 59.9 | 36% | 0.358 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 19.5 | -176.6 | 79.3 | -8.5 | 0 | 0 | 0 | 113.6 | F1548 A1549 A1550 | D1546-F1548 PolarHBondContact O-N 2.6Å; D1546-F1548 WeakPolarHBondContact OD1-CA 3.38Å; D1546-F1548 PolarHBondContact OD1-N 2.84Å; D1546-A1549 HydrophobicContact CB-CB 4.45Å; D1546-A1549 PolarHBondContact O-N 3.11Å; D1546-A1549 PolarHBondContact OD1-N 3.43Å; D1546-A1549 WeakPolarHBondContact OD2-CB 3.28Å; D1546-A1550 PolarHBondContact OD2-N 2.88Å; D1546-A1550 VanDerWaalsContact OD2-N 3.13Å |
| 1547 | S | 83.6 | Confident | 86.7 | Confident | 89 Ų | 89 | 60.9 Ų | 60.9 | 62% | 0.622 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 36 | -171.5 | -55.3 | 0 | 0 | 0 | 0 | 112.9 | A1549 | S1547-A1549 VanDerWaalsContact C-N 3.31Å; S1547-A1549 PolarHBondContact O-N 3.32Å |
| 1548 | F | 89.5 | Confident | 86.8 | Confident | 43 Ų | 43 | 58.5 Ų | 58.5 | 19% | 0.189 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | 29.8 | 178.1 | -48.2 | -75.2 | 0 | 0 | 0 | 114.5 | Y1540 Y1543 D1546 A1550 L1551 K1552 I1832 | Y1540-F1548 HydrophobicContact CE2-CE1 4.12Å; Y1543-F1548 VanDerWaalsContact O-CA 3.27Å; Y1543-F1548 WeakPolarHBondContact O-CA 3.33Å; Y1543-F1548 WeakPolarHBondContact O-CD1 3.41Å; Y1543-F1548 PolarHBondContact O-N 3.3Å; D1546-F1548 PolarHBondContact O-N 2.6Å; D1546-F1548 WeakPolarHBondContact OD1-CA 3.38Å; D1546-F1548 PolarHBondContact OD1-N 2.84Å; F1548-A1550 VanDerWaalsContact C-N 3.33Å; F1548-A1550 PolarHBondContact O-N 2.7Å; F1548-L1551 HydrophobicContact CB-CB 4.38Å; F1548-L1551 HydrophobicContact CB-CD1 4.38Å; F1548-L1551 HydrophobicContact CD1-CD1 3.88Å; F1548-L1551 PolarHBondContact O-N 2.94Å; F1548-K1552 WeakPolarHBondContact O-CG 3.28Å; F1548-K1552 PolarHBondContact O-N 2.83Å; F1548-K1552 VanDerWaalsContact O-N 3.13Å; F1548-I1832 HydrophobicContact CB-CD1 3.75Å; F1548-I1832 HydrophobicContact CB-CG1 4.07Å; F1548-I1832 HydrophobicContact CB-CG2 4.27Å; F1548-I1832 HydrophobicContact CD1-CG2 3.96Å; F1548-I1832 HydrophobicContact CD2-CG2 3.95Å; F1548-I1832 HydrophobicContact CE1-CG2 4.24Å; F1548-I1832 HydrophobicContact CE2-CG2 4.26Å; F1548-I1832 HydrophobicContact CG-CD1 4.36Å; F1548-I1832 HydrophobicContact CG-CG2 3.79Å; F1548-I1832 HydrophobicContact CZ-CG2 4.39Å |
| 1549 | A | 82.4 | Confident | 86.8 | Confident | 46 Ų | 46 | 58.1 Ų | 58.1 | 38% | 0.38 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.6 | -42.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | D1546 S1547 L1551 K1552 V1553 | D1546-A1549 HydrophobicContact CB-CB 4.45Å; D1546-A1549 PolarHBondContact O-N 3.11Å; D1546-A1549 PolarHBondContact OD1-N 3.43Å; D1546-A1549 WeakPolarHBondContact OD2-CB 3.28Å; S1547-A1549 VanDerWaalsContact C-N 3.31Å; S1547-A1549 PolarHBondContact O-N 3.32Å; A1549-L1551 PolarHBondContact O-N 3.4Å; A1549-K1552 WeakPolarHBondContact O-CB 3.28Å; A1549-K1552 PolarHBondContact O-N 3.28Å; A1549-V1553 PolarHBondContact O-N 2.89Å |
| 1550 | A | 83.6 | Confident | 86.5 | Confident | 37 Ų | 37 | 57.9 Ų | 57.9 | 31% | 0.306 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.3 | -42.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y1543 D1546 F1548 K1552 V1553 Q1554 | Y1543-A1550 HydrophobicContact CD1-CB 3.69Å; Y1543-A1550 HydrophobicContact CE1-CB 3.89Å; D1546-A1550 PolarHBondContact OD2-N 2.88Å; D1546-A1550 VanDerWaalsContact OD2-N 3.13Å; F1548-A1550 VanDerWaalsContact C-N 3.33Å; F1548-A1550 PolarHBondContact O-N 2.7Å; A1550-K1552 VanDerWaalsContact C-N 3.31Å; A1550-K1552 PolarHBondContact O-N 2.94Å; A1550-V1553 WeakPolarHBondContact O-CB 3.33Å; A1550-V1553 PolarHBondContact O-N 3.3Å; A1550-Q1554 PolarHBondContact O-N 3.28Å |
| 1551 | L | 90.3 | Very high | 86.1 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67.5 | -32.2 | 178 | -65.6 | -177.3 | 0 | 0 | 0 | 112.2 | Y1543 F1548 A1549 V1553 Q1554 Y1555 Y1831 I1832 H1835 | Y1543-L1551 HydrophobicContact CD2-CD1 4.23Å; Y1543-L1551 HydrophobicContact CD2-CD2 3.61Å; Y1543-L1551 HydrophobicContact CD2-CG 3.96Å; Y1543-L1551 HydrophobicContact CE2-CD2 3.78Å; Y1543-L1551 HydrophobicContact CG-CD1 4.44Å; Y1543-L1551 HydrophobicContact CG-CD2 4.07Å; Y1543-L1551 HydrophobicContact CG-CG 3.99Å; F1548-L1551 HydrophobicContact CB-CB 4.38Å; F1548-L1551 HydrophobicContact CB-CD1 4.38Å; F1548-L1551 HydrophobicContact CD1-CD1 3.88Å; F1548-L1551 PolarHBondContact O-N 2.94Å; A1549-L1551 PolarHBondContact O-N 3.4Å; L1551-V1553 VanDerWaalsContact C-N 3.3Å; L1551-V1553 PolarHBondContact O-N 2.68Å; L1551-Q1554 PolarHBondContact O-N 3.01Å; L1551-Y1555 WeakPolarHBondContact O-CB 3.49Å; L1551-Y1555 PolarHBondContact O-N 2.93Å; L1551-Y1831 HydrophobicContact CB-CD1 4.47Å; L1551-Y1831 HydrophobicContact CB-CE1 4.43Å; L1551-Y1831 HydrophobicContact CD2-CE1 4.27Å; L1551-I1832 HydrophobicContact CB-CG1 3.98Å; L1551-I1832 HydrophobicContact CD1-CG1 4.15Å; L1551-I1832 HydrophobicContact CD1-CG2 4.44Å; L1551-H1835 HydrophobicContact CD1-CB 3.93Å |
| 1552 | K | 89.7 | Confident | 85.9 | Confident | 104 Ų | 104 | 55 Ų | 55 | 45% | 0.452 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.6 | -39.4 | 174.3 | -67.5 | 169.7 | -176 | 166.7 | 0 | 111.7 | F1548 A1549 A1550 Q1556 V1828 I1832 | F1548-K1552 WeakPolarHBondContact O-CG 3.28Å; F1548-K1552 PolarHBondContact O-N 2.83Å; F1548-K1552 VanDerWaalsContact O-N 3.13Å; A1549-K1552 WeakPolarHBondContact O-CB 3.28Å; A1549-K1552 PolarHBondContact O-N 3.28Å; A1550-K1552 VanDerWaalsContact C-N 3.31Å; A1550-K1552 PolarHBondContact O-N 2.94Å; K1552-Q1556 PolarHBondContact O-N 3.37Å; K1552-V1828 HydrophobicContact CB-CG2 4.02Å; K1552-V1828 HydrophobicContact CG-CG2 3.69Å; K1552-I1832 HydrophobicContact CG-CD1 4.3Å |
| 1553 | V | 84.6 | Confident | 85.4 | Confident | 51 Ų | 51 | 56.3 Ų | 56.3 | 31% | 0.309 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -66.8 | -49.2 | 175.4 | 174.1 | 0 | 0 | 0 | 0 | 110.6 | L1521 I1525 A1549 A1550 L1551 Y1555 Q1556 L1557 | L1521-V1553 HydrophobicContact CD2-CG1 4.36Å; L1521-V1553 HydrophobicContact CD2-CG2 4.45Å; I1525-V1553 HydrophobicContact CD1-CG1 3.5Å; A1549-V1553 PolarHBondContact O-N 2.89Å; A1550-V1553 WeakPolarHBondContact O-CB 3.33Å; A1550-V1553 PolarHBondContact O-N 3.3Å; L1551-V1553 VanDerWaalsContact C-N 3.3Å; L1551-V1553 PolarHBondContact O-N 2.68Å; V1553-Y1555 PolarHBondContact O-N 2.84Å; V1553-Q1556 WeakPolarHBondContact O-CB 3.41Å; V1553-Q1556 PolarHBondContact O-N 3Å; V1553-L1557 HydrophobicContact CG1-CD1 4.32Å; V1553-L1557 PolarHBondContact O-N 3.38Å |
| 1554 | Q | 89.6 | Confident | 84.8 | Confident | 21 Ų | 21 | 61 Ų | 61 | 10% | 0.098 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -56.5 | -36.9 | 178.5 | -164.9 | -177.5 | 50.1 | 0 | 0 | 112.3 | W1527 P1528 A1550 L1551 Q1556 L1557 I1558 Y1831 | W1527-Q1554 HydrophobicContact CZ3-CG 4.42Å; P1528-Q1554 HydrophobicContact CG-CG 3.71Å; A1550-Q1554 PolarHBondContact O-N 3.28Å; L1551-Q1554 PolarHBondContact O-N 3.01Å; Q1554-Q1556 PolarHBondContact O-N 2.89Å; Q1554-L1557 WeakPolarHBondContact O-CB 3.41Å; Q1554-L1557 PolarHBondContact O-N 2.83Å; Q1554-I1558 PolarHBondContact O-N 2.86Å; Q1554-Y1831 HydrophobicContact CB-CE1 4.14Å; Q1554-Y1831 HydrophobicContact CG-CE1 4.25Å; Q1554-Y1831 WeakPolarHBondContact CG-OH 3.47Å; Q1554-Y1831 VanDerWaalsContact OE1-CZ 3.25Å; Q1554-Y1831 PolarHBondContact OE1-OH 3Å |
| 1555 | Y | 92.7 | Very high | 84.4 | Confident | 8 Ų | 8 | 59.8 Ų | 59.8 | 3% | 0.031 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.2 | -37 | 175 | -174.5 | -106.3 | 0 | 0 | 0 | 113.6 | L1551 V1553 L1557 I1558 I1559 R1818 V1825 Q1826 K1827 V1828 Y1831 | L1551-Y1555 WeakPolarHBondContact O-CB 3.49Å; L1551-Y1555 PolarHBondContact O-N 2.93Å; V1553-Y1555 PolarHBondContact O-N 2.84Å; Y1555-L1557 VanDerWaalsContact C-N 3.29Å; Y1555-L1557 PolarHBondContact O-N 3.33Å; Y1555-I1558 HydrophobicContact CD2-CD1 4.42Å; Y1555-I1558 WeakPolarHBondContact O-CB 3.45Å; Y1555-I1558 PolarHBondContact O-N 3.44Å; Y1555-I1559 HydrophobicContact CD1-CD1 4.04Å; Y1555-I1559 HydrophobicContact CE1-CD1 3.56Å; Y1555-I1559 HydrophobicContact CE1-CG1 4.24Å; Y1555-I1559 PolarHBondContact O-N 3.06Å; Y1555-R1818 PolarHBondContact OH-NH2 3.41Å; Y1555-V1825 HydrophobicContact CE2-CG1 4.35Å; Y1555-V1825 WeakPolarHBondContact CE2-O 3.23Å; Y1555-V1825 PolarHBondContact OH-O 2.83Å; Y1555-Q1826 WeakPolarHBondContact OH-CA 3.48Å; Y1555-Q1826 PolarHBondContact OH-O 2.94Å; Y1555-K1827 PolarHBondContact OH-N 3.24Å; Y1555-V1828 HydrophobicContact CD1-CB 3.63Å; Y1555-V1828 HydrophobicContact CD1-CG2 3.98Å; Y1555-V1828 HydrophobicContact CE1-CB 4.15Å; Y1555-V1828 HydrophobicContact CG-CB 4.05Å; Y1555-V1828 HydrophobicContact CG-CG2 4Å; Y1555-Y1831 VanDerWaalsContact CD2-CB 3.48Å; Y1555-Y1831 HydrophobicContact CD2-CD1 4.13Å; Y1555-Y1831 HydrophobicContact CD2-CD2 4.13Å; Y1555-Y1831 AromaticContact CD2-CG 3.65Å; Y1555-Y1831 HydrophobicContact CD2-CG 3.65Å; Y1555-Y1831 HydrophobicContact CG-CD1 4.43Å; Y1555-Y1831 HydrophobicContact CG-CG 4.35Å |
| 1556 | Q | 87.7 | Confident | 84 | Confident | 111 Ų | 111 | 54.4 Ų | 54.4 | 52% | 0.519 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66.6 | -31.7 | 175.6 | -65.2 | -62.7 | -14.9 | 0 | 0 | 112.1 | K1552 V1553 Q1554 I1559 S1560 | K1552-Q1556 PolarHBondContact O-N 3.37Å; V1553-Q1556 WeakPolarHBondContact O-CB 3.41Å; V1553-Q1556 PolarHBondContact O-N 3Å; Q1554-Q1556 PolarHBondContact O-N 2.89Å; Q1556-I1559 PolarHBondContact O-N 2.99Å; Q1556-S1560 PolarHBondContact O-N 3.41Å; Q1556-S1560 PolarHBondContact O-OG 2.89Å |
| 1557 | L | 86 | Confident | 83.3 | Confident | 28 Ų | 28 | 58.8 Ų | 58.8 | 15% | 0.147 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.2 | -39.4 | 171.3 | -83.9 | 121 | 0 | 0 | 0 | 112.8 | I1525 W1527 V1553 Q1554 Y1555 I1559 S1560 N1561 | I1525-L1557 HydrophobicContact CB-CD1 3.6Å; I1525-L1557 HydrophobicContact CB-CD2 3.99Å; I1525-L1557 HydrophobicContact CB-CG 4.35Å; I1525-L1557 HydrophobicContact CD1-CD1 3.76Å; I1525-L1557 HydrophobicContact CG1-CD1 4.27Å; I1525-L1557 HydrophobicContact CG2-CD1 3.25Å; I1525-L1557 HydrophobicContact CG2-CD2 4.2Å; I1525-L1557 HydrophobicContact CG2-CG 4.34Å; I1525-L1557 WeakPolarHBondContact O-CD2 3.43Å; W1527-L1557 HydrophobicContact CE3-CB 3.86Å; W1527-L1557 HydrophobicContact CE3-CD2 4.01Å; W1527-L1557 HydrophobicContact CE3-CG 4.46Å; W1527-L1557 HydrophobicContact CH2-CB 4.22Å; W1527-L1557 HydrophobicContact CZ3-CB 3.37Å; W1527-L1557 HydrophobicContact CZ3-CD2 4.37Å; W1527-L1557 HydrophobicContact CZ3-CG 4.34Å; V1553-L1557 HydrophobicContact CG1-CD1 4.32Å; V1553-L1557 PolarHBondContact O-N 3.38Å; Q1554-L1557 WeakPolarHBondContact O-CB 3.41Å; Q1554-L1557 PolarHBondContact O-N 2.83Å; Y1555-L1557 VanDerWaalsContact C-N 3.29Å; Y1555-L1557 PolarHBondContact O-N 3.33Å; L1557-I1559 VanDerWaalsContact C-N 3.25Å; L1557-I1559 PolarHBondContact O-N 3.46Å; L1557-S1560 PolarHBondContact O-N 2.82Å; L1557-N1561 WeakPolarHBondContact O-CB 3.47Å; L1557-N1561 PolarHBondContact O-N 3.33Å; L1557-N1561 PolarHBondContact O-ND2 2.82Å |
| 1558 | I | 89.8 | Confident | 82.5 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -57.8 | -43.5 | 174.6 | -62.8 | 174.7 | 0 | 0 | 0 | 110.3 | W1527 Q1554 Y1555 S1562 P1811 I1814 L1815 Y1831 | W1527-I1558 HydrophobicContact CH2-CB 4.44Å; W1527-I1558 HydrophobicContact CH2-CD1 4.42Å; W1527-I1558 HydrophobicContact CH2-CG1 3.42Å; W1527-I1558 VanDerWaalsContact CH2-CG1 3.42Å; W1527-I1558 HydrophobicContact CZ2-CG1 4.05Å; W1527-I1558 HydrophobicContact CZ3-CG1 4.43Å; Q1554-I1558 PolarHBondContact O-N 2.86Å; Y1555-I1558 HydrophobicContact CD2-CD1 4.42Å; Y1555-I1558 WeakPolarHBondContact O-CB 3.45Å; Y1555-I1558 PolarHBondContact O-N 3.44Å; I1558-S1562 WeakPolarHBondContact O-CB 3.43Å; I1558-S1562 PolarHBondContact O-N 3.26Å; I1558-S1562 PolarHBondContact O-OG 2.85Å; I1558-S1562 VanDerWaalsContact O-OG 3.12Å; I1558-P1811 HydrophobicContact CD1-CB 4.16Å; I1558-P1811 HydrophobicContact CG1-CB 4.3Å; I1558-I1814 HydrophobicContact CD1-CB 4.43Å; I1558-I1814 HydrophobicContact CD1-CD1 4.07Å; I1558-I1814 HydrophobicContact CD1-CG2 4.43Å; I1558-I1814 HydrophobicContact CG2-CB 4.38Å; I1558-I1814 HydrophobicContact CG2-CG2 3.61Å; I1558-L1815 HydrophobicContact CG2-CD2 4.36Å; I1558-Y1831 HydrophobicContact CD1-CD2 3.84Å; I1558-Y1831 HydrophobicContact CD1-CE2 3.31Å |
| 1559 | I | 87.5 | Confident | 81.7 | Confident | 53 Ų | 53 | 57.2 Ų | 57.2 | 27% | 0.272 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.8 | -52 | 177.3 | -65.6 | 169 | 0 | 0 | 0 | 110.5 | Y1555 Q1556 L1557 S1562 Q1563 | Y1555-I1559 HydrophobicContact CD1-CD1 4.04Å; Y1555-I1559 HydrophobicContact CE1-CD1 3.56Å; Y1555-I1559 HydrophobicContact CE1-CG1 4.24Å; Y1555-I1559 PolarHBondContact O-N 3.06Å; Q1556-I1559 PolarHBondContact O-N 2.99Å; L1557-I1559 VanDerWaalsContact C-N 3.25Å; L1557-I1559 PolarHBondContact O-N 3.46Å; I1559-S1562 PolarHBondContact O-N 2.81Å; I1559-S1562 PolarHBondContact O-OG 2.82Å; I1559-Q1563 PolarHBondContact O-N 2.85Å |
| 1560 | S | 80.5 | Confident | 81.5 | Confident | 74 Ų | 74 | 62.6 Ų | 62.6 | 52% | 0.517 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.7 | -49.5 | -177.3 | -52.4 | 0 | 0 | 0 | 0 | 111.9 | Q1556 L1557 S1562 Q1563 F1564 | Q1556-S1560 PolarHBondContact O-N 3.41Å; Q1556-S1560 PolarHBondContact O-OG 2.89Å; L1557-S1560 PolarHBondContact O-N 2.82Å; S1560-S1562 VanDerWaalsContact C-N 3.32Å; S1560-S1562 PolarHBondContact O-N 3.18Å; S1560-Q1563 PolarHBondContact O-N 2.81Å; S1560-F1564 PolarHBondContact O-N 2.87Å |
| 1561 | N | 81.9 | Confident | 81.6 | Confident | 55 Ų | 55 | 61.6 Ų | 61.6 | 29% | 0.294 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.6 | -33 | 178.8 | -77.8 | -47.8 | 0 | 0 | 0 | 112.7 | L1557 Q1563 F1564 L1565 L1815 | L1557-N1561 WeakPolarHBondContact O-CB 3.47Å; L1557-N1561 PolarHBondContact O-N 3.33Å; L1557-N1561 PolarHBondContact O-ND2 2.82Å; N1561-Q1563 VanDerWaalsContact C-N 3.3Å; N1561-Q1563 PolarHBondContact O-N 2.95Å; N1561-F1564 WeakPolarHBondContact O-CB 3.38Å; N1561-F1564 PolarHBondContact O-N 2.81Å; N1561-L1565 WeakPolarHBondContact O-CG 3.07Å; N1561-L1565 PolarHBondContact O-N 2.81Å; N1561-L1565 VanDerWaalsContact O-N 3.1Å; N1561-L1815 HydrophobicContact CB-CD1 4.25Å; N1561-L1815 HydrophobicContact CB-CD2 3.76Å |
| 1562 | S | 83 | Confident | 81.7 | Confident | 10 Ų | 10 | 63.1 Ų | 63.1 | 7% | 0.07 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.8 | -33.7 | 176.8 | 67.1 | 0 | 0 | 0 | 0 | 113 | I1558 I1559 S1560 F1564 L1565 I1566 R1818 | I1558-S1562 WeakPolarHBondContact O-CB 3.43Å; I1558-S1562 PolarHBondContact O-N 3.26Å; I1558-S1562 PolarHBondContact O-OG 2.85Å; I1558-S1562 VanDerWaalsContact O-OG 3.12Å; I1559-S1562 PolarHBondContact O-N 2.81Å; I1559-S1562 PolarHBondContact O-OG 2.82Å; S1560-S1562 VanDerWaalsContact C-N 3.32Å; S1560-S1562 PolarHBondContact O-N 3.18Å; S1562-F1564 VanDerWaalsContact C-N 3.34Å; S1562-L1565 PolarHBondContact O-N 3.48Å; S1562-I1566 VanDerWaalsContact O-CG1 3.29Å; S1562-I1566 WeakPolarHBondContact O-CG1 3.43Å; S1562-I1566 PolarHBondContact O-N 2.89Å; S1562-I1566 VanDerWaalsContact O-N 3.16Å; S1562-R1818 VanDerWaalsContact CB-CD 3.42Å; S1562-R1818 PolarHBondContact OG-NH1 2.81Å; S1562-R1818 VanDerWaalsContact OG-NH1 3.12Å |
| 1563 | Q | 74.2 | Confident | 81.8 | Confident | 132 Ų | 132 | 60.5 Ų | 60.5 | 62% | 0.617 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -66.9 | -38 | 175.6 | -69.9 | -166.6 | -25.2 | 0 | 0 | 112.2 | I1559 S1560 N1561 I1566 Q1567 | I1559-Q1563 PolarHBondContact O-N 2.85Å; S1560-Q1563 PolarHBondContact O-N 2.81Å; N1561-Q1563 VanDerWaalsContact C-N 3.3Å; N1561-Q1563 PolarHBondContact O-N 2.95Å; Q1563-I1566 PolarHBondContact O-N 2.87Å; Q1563-Q1567 PolarHBondContact O-N 2.81Å |
| 1564 | F | 75.1 | Confident | 82.1 | Confident | 139 Ų | 139 | 64.3 Ų | 64.3 | 61% | 0.61 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -61.8 | -45.2 | 174.1 | -177.6 | -96.2 | 0 | 0 | 0 | 111.6 | S1560 N1561 S1562 I1566 Q1567 S1568 | S1560-F1564 PolarHBondContact O-N 2.87Å; N1561-F1564 WeakPolarHBondContact O-CB 3.38Å; N1561-F1564 PolarHBondContact O-N 2.81Å; S1562-F1564 VanDerWaalsContact C-N 3.34Å; F1564-I1566 VanDerWaalsContact C-N 3.29Å; F1564-I1566 PolarHBondContact O-N 2.83Å; F1564-Q1567 PolarHBondContact O-N 2.85Å; F1564-S1568 PolarHBondContact O-N 2.8Å |
| 1565 | L | 74.7 | Confident | 82.2 | Confident | 27 Ų | 27 | 64.4 Ų | 64.4 | 14% | 0.141 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.2 | -34 | 178.4 | -68.4 | 175.8 | 0 | 0 | 0 | 113.3 | N1561 S1562 S1568 D1569 L1815 R1819 | N1561-L1565 WeakPolarHBondContact O-CG 3.07Å; N1561-L1565 PolarHBondContact O-N 2.81Å; N1561-L1565 VanDerWaalsContact O-N 3.1Å; S1562-L1565 PolarHBondContact O-N 3.48Å; L1565-S1568 WeakPolarHBondContact CA-OG 3.5Å; L1565-S1568 PolarHBondContact O-OG 2.99Å; L1565-S1568 VanDerWaalsContact O-OG 3.14Å; L1565-D1569 WeakPolarHBondContact O-CB 3.48Å; L1565-D1569 PolarHBondContact O-N 2.82Å; L1565-L1815 HydrophobicContact CD1-CB 4.04Å; L1565-L1815 HydrophobicContact CD1-CD2 3.89Å; L1565-L1815 HydrophobicContact CD1-CG 4.42Å; L1565-R1819 HydrophobicContact CB-CG 4.17Å; L1565-R1819 HydrophobicContact CD1-CG 3.93Å |
| 1566 | I | 74.9 | Confident | 82 | Confident | 47 Ų | 47 | 64 Ų | 64 | 24% | 0.241 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62 | -46.9 | 176.1 | -68.9 | 165.8 | 0 | 0 | 0 | 110.7 | S1562 Q1563 F1564 M1570 L1571 Y1593 | S1562-I1566 VanDerWaalsContact O-CG1 3.29Å; S1562-I1566 WeakPolarHBondContact O-CG1 3.43Å; S1562-I1566 PolarHBondContact O-N 2.89Å; S1562-I1566 VanDerWaalsContact O-N 3.16Å; Q1563-I1566 PolarHBondContact O-N 2.87Å; F1564-I1566 VanDerWaalsContact C-N 3.29Å; F1564-I1566 PolarHBondContact O-N 2.83Å; I1566-M1570 PolarHBondContact O-N 3.22Å; I1566-L1571 HydrophobicContact CG1-CD1 4.48Å; I1566-L1571 HydrophobicContact CG2-CB 4.23Å; I1566-L1571 PolarHBondContact O-N 3.34Å; I1566-Y1593 HydrophobicContact CD1-CE1 4.37Å; I1566-Y1593 WeakPolarHBondContact CD1-OH 3.31Å; I1566-Y1593 HydrophobicContact CG1-CE1 4.22Å; I1566-Y1593 WeakPolarHBondContact CG1-OH 3.23Å |
| 1567 | Q | 69.1 | Low | 82.1 | Confident | 159 Ų | 159 | 63.6 Ų | 63.6 | 74% | 0.743 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -68.6 | -43.5 | 179 | -76.3 | 179.3 | -9.6 | 0 | 0 | 111.6 | Q1563 F1564 D1569 M1570 | Q1563-Q1567 PolarHBondContact O-N 2.81Å; F1564-Q1567 PolarHBondContact O-N 2.85Å; Q1567-D1569 PolarHBondContact O-N 2.78Å; Q1567-M1570 PolarHBondContact O-N 2.98Å |
| 1568 | S | 65.1 | Low | 82.3 | Confident | 57 Ų | 57 | 68.2 Ų | 68.2 | 40% | 0.399 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.2 | -40.7 | -177.6 | 70.3 | 0 | 0 | 0 | 0 | 112.8 | F1564 L1565 M1570 | F1564-S1568 PolarHBondContact O-N 2.8Å; L1565-S1568 WeakPolarHBondContact CA-OG 3.5Å; L1565-S1568 PolarHBondContact O-OG 2.99Å; L1565-S1568 VanDerWaalsContact O-OG 3.14Å; S1568-M1570 PolarHBondContact O-N 2.58Å |
| 1569 | D | 72.8 | Confident | 82.1 | Confident | 42 Ų | 42 | 74.5 Ų | 74.5 | 23% | 0.225 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 6.5 | -177.7 | -70.6 | 12.8 | 0 | 0 | 0 | 112.7 | L1565 Q1567 L1571 R1635 R1819 | L1565-D1569 WeakPolarHBondContact O-CB 3.48Å; L1565-D1569 PolarHBondContact O-N 2.82Å; Q1567-D1569 PolarHBondContact O-N 2.78Å; D1569-L1571 HydrophobicContact CB-CD1 4.15Å; D1569-L1571 HydrophobicContact CB-CD2 4Å; D1569-L1571 HydrophobicContact CB-CG 3.71Å; D1569-L1571 PolarHBondContact O-N 2.79Å; D1569-R1635 IonicContact OD2-NH2 3.94Å; D1569-R1819 VanDerWaalsContact CG-NH2 3.35Å; D1569-R1819 IonicContact OD1-CZ 2.72Å; D1569-R1819 IonicContact OD1-NE 3.88Å; D1569-R1819 IonicContact OD1-NH2 2.75Å; D1569-R1819 PolarHBondContact OD1-NH2 3.15Å; D1569-R1819 IonicContact OD2-CZ 2.6Å; D1569-R1819 IonicContact OD2-NE 3.76Å; D1569-R1819 PolarHBondContact OD2-NE 2.87Å; D1569-R1819 IonicContact OD2-NH2 3.96Å; D1569-R1819 PolarHBondContact OD2-NH2 2.97Å; D1569-R1819 VanDerWaalsContact OD2-NH2 3.13Å |
| 1570 | M | 79.2 | Confident | 82 | Confident | 160 Ų | 160 | 75.9 Ų | 75.9 | 79% | 0.788 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 42.1 | -175.3 | -57.1 | -176.7 | -172.5 | 0 | 0 | 112.3 | I1566 Q1567 S1568 S1572 Q1595 | I1566-M1570 PolarHBondContact O-N 3.22Å; Q1567-M1570 PolarHBondContact O-N 2.98Å; S1568-M1570 PolarHBondContact O-N 2.58Å; M1570-S1572 PolarHBondContact O-N 2.83Å; M1570-Q1595 PolarHBondContact O-NE2 2.87Å |
| 1571 | L | 86.4 | Confident | 82.5 | Confident | 15 Ų | 15 | 72.7 Ų | 72.7 | 8% | 0.079 | 36% | 0.361 | C | S | . | . | trans | -74.3 | 122.6 | -179.2 | -58.8 | 177.3 | 0 | 0 | 0 | 109.3 | I1566 D1569 Y1593 Q1595 R1819 | I1566-L1571 HydrophobicContact CG1-CD1 4.48Å; I1566-L1571 HydrophobicContact CG2-CB 4.23Å; I1566-L1571 PolarHBondContact O-N 3.34Å; D1569-L1571 HydrophobicContact CB-CD1 4.15Å; D1569-L1571 HydrophobicContact CB-CD2 4Å; D1569-L1571 HydrophobicContact CB-CG 3.71Å; D1569-L1571 PolarHBondContact O-N 2.79Å; L1571-Y1593 HydrophobicContact CB-CD1 3.78Å; L1571-Y1593 HydrophobicContact CB-CD2 4.3Å; L1571-Y1593 HydrophobicContact CB-CE1 4.08Å; L1571-Y1593 HydrophobicContact CB-CG 3.91Å; L1571-Y1593 HydrophobicContact CD1-CD2 3.85Å; L1571-Y1593 HydrophobicContact CD1-CE2 3.76Å; L1571-Y1593 HydrophobicContact CD1-CG 4.32Å; L1571-Y1593 HydrophobicContact CG-CD2 4.47Å; L1571-Y1593 HydrophobicContact CG-CG 4.5Å; L1571-Q1595 HydrophobicContact CD2-CB 3.99Å; L1571-Q1595 HydrophobicContact CD2-CG 3.94Å; L1571-R1819 HydrophobicContact CD1-CB 4.49Å; L1571-R1819 WeakPolarHBondContact CD1-O 3.49Å | ||
| 1572 | S | 91.2 | Very high | 82.8 | Confident | 33 Ų | 33 | 75.8 Ų | 75.8 | 23% | 0.231 | 37% | 0.372 | C | S | . | . | trans | -117.6 | 156 | -176.1 | 63.6 | 0 | 0 | 0 | 0 | 110.4 | M1570 Y1593 D1594 Q1595 | M1570-S1572 PolarHBondContact O-N 2.83Å; S1572-Y1593 CarbonylContact O-C 3.57Å; S1572-Y1593 WeakPolarHBondContact O-CA 3.47Å; S1572-D1594 VanDerWaalsContact C-OD2 3.3Å; S1572-D1594 WeakPolarHBondContact CB-OD2 3.47Å; S1572-D1594 PolarHBondContact O-N 2.77Å; S1572-D1594 PolarHBondContact OG-OD2 3.27Å; S1572-Q1595 PolarHBondContact OG-NE2 3.33Å | ||
| 1573 | Q | 91.5 | Very high | 83.2 | Confident | 48 Ų | 48 | 82.7 Ų | 82.7 | 22% | 0.224 | 40% | 0.397 | C | S | . | . | trans | -121.3 | 21.6 | 175.8 | -64.2 | 174.2 | -51.7 | 0 | 0 | 111.1 | I1575 G1576 Q1577 L1591 Y1593 P1822 | Q1573-I1575 VanDerWaalsContact C-N 3.33Å; Q1573-I1575 PolarHBondContact O-N 3.07Å; Q1573-G1576 PolarHBondContact O-N 3.34Å; Q1573-G1576 VanDerWaalsContact O-N 3.15Å; Q1573-Q1577 WeakPolarHBondContact O-CG 3.46Å; Q1573-Q1577 PolarHBondContact O-N 3.26Å; Q1573-L1591 HydrophobicContact CB-CB 3.98Å; Q1573-L1591 HydrophobicContact CB-CD1 4.19Å; Q1573-L1591 HydrophobicContact CG-CB 4.1Å; Q1573-L1591 PolarHBondContact NE2-O 2.85Å; Q1573-Y1593 HydrophobicContact CG-CD1 3.8Å; Q1573-Y1593 HydrophobicContact CG-CE1 4.24Å; Q1573-P1822 VanDerWaalsContact NE2-CG 3.31Å | ||
| 1574 | E | 90.7 | Very high | 84 | Confident | 131 Ų | 131 | 77.2 Ų | 77.2 | 61% | 0.612 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -61.4 | -40.3 | -169.7 | -70.9 | -173.3 | 176.7 | 0 | 0 | 111.8 | G1576 Q1577 R1578 D1594 | E1574-G1576 VanDerWaalsContact C-N 3.3Å; E1574-G1576 PolarHBondContact O-N 3.02Å; E1574-Q1577 CarbonylContact O-C 3.57Å; E1574-Q1577 PolarHBondContact O-N 2.98Å; E1574-Q1577 VanDerWaalsContact O-N 3.09Å; E1574-R1578 WeakPolarHBondContact O-CG 3.45Å; E1574-R1578 PolarHBondContact O-N 3.45Å; E1574-D1594 PolarHBondContact N-OD2 2.89Å |
| 1575 | I | 91.6 | Very high | 84.9 | Confident | 23 Ų | 23 | 71.3 Ų | 71.3 | 12% | 0.118 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64 | -40 | 179.8 | -55.5 | -61.9 | 0 | 0 | 0 | 110.4 | Q1573 Q1577 R1578 N1581 D1594 Y1612 | Q1573-I1575 VanDerWaalsContact C-N 3.33Å; Q1573-I1575 PolarHBondContact O-N 3.07Å; I1575-Q1577 VanDerWaalsContact C-N 3.29Å; I1575-Q1577 PolarHBondContact O-N 2.97Å; I1575-R1578 PolarHBondContact O-N 2.76Å; I1575-N1581 WeakPolarHBondContact O-CB 3.33Å; I1575-N1581 PolarHBondContact O-ND2 2.67Å; I1575-D1594 WeakPolarHBondContact CB-OD1 3.27Å; I1575-D1594 HydrophobicContact CG1-CB 4.28Å; I1575-D1594 WeakPolarHBondContact CG1-OD1 3.42Å; I1575-D1594 PolarHBondContact N-OD1 2.91Å; I1575-Y1612 HydrophobicContact CG2-CD2 3.67Å; I1575-Y1612 HydrophobicContact CG2-CE2 4.27Å; I1575-Y1612 HydrophobicContact CG2-CG 4.47Å |
| 1576 | G | 88.5 | Confident | 85.8 | Confident | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -67.4 | -29.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q1573 E1574 N1585 Y1612 | Q1573-G1576 PolarHBondContact O-N 3.34Å; Q1573-G1576 VanDerWaalsContact O-N 3.15Å; E1574-G1576 VanDerWaalsContact C-N 3.3Å; E1574-G1576 PolarHBondContact O-N 3.02Å; G1576-N1585 PolarHBondContact O-ND2 2.93Å; G1576-Y1612 VanDerWaalsContact CA-OH 3.31Å; G1576-Y1612 WeakPolarHBondContact CA-OH 3.43Å |
| 1577 | Q | 91.1 | Very high | 86.6 | Confident | 103 Ų | 103 | 73.8 Ų | 73.8 | 48% | 0.481 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -82.4 | -12.5 | 179.1 | -69 | 175.9 | -3.6 | 0 | 0 | 114 | Q1573 E1574 I1575 N1579 K1582 L1591 | Q1573-Q1577 WeakPolarHBondContact O-CG 3.46Å; Q1573-Q1577 PolarHBondContact O-N 3.26Å; E1574-Q1577 CarbonylContact O-C 3.57Å; E1574-Q1577 PolarHBondContact O-N 2.98Å; E1574-Q1577 VanDerWaalsContact O-N 3.09Å; I1575-Q1577 VanDerWaalsContact C-N 3.29Å; I1575-Q1577 PolarHBondContact O-N 2.97Å; Q1577-N1579 PolarHBondContact O-N 3.33Å; Q1577-K1582 WeakPolarHBondContact O-CE 3.46Å; Q1577-L1591 HydrophobicContact CB-CD1 4.49Å; Q1577-L1591 HydrophobicContact CG-CD1 3.41Å; Q1577-L1591 VanDerWaalsContact CG-CD1 3.41Å |
| 1578 | R | 89.7 | Confident | 87.5 | Confident | 124 Ų | 124 | 71.3 Ų | 71.3 | 47% | 0.468 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -55 | 139.5 | 177.4 | -73.3 | -178.6 | 179.4 | -172.9 | -1 | 111.1 | E1574 I1575 T1580 N1581 K1582 | E1574-R1578 WeakPolarHBondContact O-CG 3.45Å; E1574-R1578 PolarHBondContact O-N 3.45Å; I1575-R1578 PolarHBondContact O-N 2.76Å; R1578-T1580 PolarHBondContact O-N 3.38Å; R1578-T1580 VanDerWaalsContact O-N 3.09Å; R1578-N1581 HydrophobicContact CB-CB 4.42Å; R1578-N1581 PolarHBondContact O-N 3.11Å; R1578-K1582 PolarHBondContact O-N 2.79Å |
| 1579 | N | 84.7 | Confident | 88.5 | Confident | 133 Ų | 133 | 74 Ų | 74 | 71% | 0.711 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -30.9 | 179.2 | -70.8 | -21.3 | 0 | 0 | 0 | 112.6 | Q1577 N1581 K1582 | Q1577-N1579 PolarHBondContact O-N 3.33Å; N1579-N1581 VanDerWaalsContact C-N 3.33Å; N1579-K1582 PolarHBondContact OD1-NZ 3.05Å |
| 1580 | T | 86.4 | Confident | 89.4 | Confident | 81 Ų | 81 | 72.4 Ų | 72.4 | 50% | 0.497 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -24.4 | 175.1 | 51.4 | 0 | 0 | 0 | 0 | 113.7 | R1578 R1583 | R1578-T1580 PolarHBondContact O-N 3.38Å; R1578-T1580 VanDerWaalsContact O-N 3.09Å; T1580-R1583 PolarHBondContact O-NH1 2.87Å |
| 1581 | N | 90.3 | Very high | 90.2 | Very high | 8 Ų | 8 | 65 Ų | 65 | 4% | 0.043 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | -18.4 | -174.2 | -68.1 | -18.7 | 0 | 0 | 0 | 113.7 | I1575 R1578 N1579 R1583 L1584 N1585 Y1612 | I1575-N1581 WeakPolarHBondContact O-CB 3.33Å; I1575-N1581 PolarHBondContact O-ND2 2.67Å; R1578-N1581 HydrophobicContact CB-CB 4.42Å; R1578-N1581 PolarHBondContact O-N 3.11Å; N1579-N1581 VanDerWaalsContact C-N 3.33Å; N1581-R1583 PolarHBondContact O-N 3.36Å; N1581-R1583 VanDerWaalsContact O-N 3.1Å; N1581-L1584 WeakPolarHBondContact O-CA 3.5Å; N1581-L1584 VanDerWaalsContact O-CB 3.32Å; N1581-L1584 WeakPolarHBondContact O-CB 3.11Å; N1581-L1584 PolarHBondContact O-N 3.07Å; N1581-N1585 PolarHBondContact O-ND2 3.32Å; N1581-Y1612 HydrophobicContact CB-CD1 3.72Å; N1581-Y1612 HydrophobicContact CB-CE1 4Å; N1581-Y1612 HydrophobicContact CB-CG 4.02Å |
| 1582 | K | 89.7 | Confident | 90.6 | Very high | 119 Ų | 119 | 64.2 Ų | 64.2 | 52% | 0.517 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -49.1 | -40.3 | 178.6 | -83.9 | 178.6 | 176.1 | 162.9 | 0 | 113.6 | Q1577 R1578 N1579 L1584 N1585 | Q1577-K1582 WeakPolarHBondContact O-CE 3.46Å; R1578-K1582 PolarHBondContact O-N 2.79Å; N1579-K1582 PolarHBondContact OD1-NZ 3.05Å; K1582-L1584 PolarHBondContact O-N 3.34Å; K1582-N1585 PolarHBondContact O-N 3.18Å |
| 1583 | R | 89.5 | Confident | 90.8 | Very high | 155 Ų | 155 | 62.9 Ų | 62.9 | 59% | 0.585 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -70.6 | -13.1 | 179.4 | 71.7 | 177.6 | -177.2 | -74.7 | -10.1 | 114.8 | T1580 N1581 N1585 | T1580-R1583 PolarHBondContact O-NH1 2.87Å; N1581-R1583 PolarHBondContact O-N 3.36Å; N1581-R1583 VanDerWaalsContact O-N 3.1Å; R1583-N1585 VanDerWaalsContact C-N 3.35Å |
| 1584 | L | 92.5 | Very high | 90.9 | Very high | 17 Ų | 17 | 61.6 Ų | 61.6 | 9% | 0.089 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -91.6 | -5.3 | 178.8 | -50.4 | 177 | 0 | 0 | 0 | 111.2 | N1581 K1582 Y1612 Q1644 T1650 | N1581-L1584 WeakPolarHBondContact O-CA 3.5Å; N1581-L1584 VanDerWaalsContact O-CB 3.32Å; N1581-L1584 WeakPolarHBondContact O-CB 3.11Å; N1581-L1584 PolarHBondContact O-N 3.07Å; K1582-L1584 PolarHBondContact O-N 3.34Å; L1584-Y1612 HydrophobicContact CB-CD1 4.11Å; L1584-Y1612 HydrophobicContact CB-CE1 4.21Å; L1584-Y1612 HydrophobicContact CD1-CD1 3.93Å; L1584-Q1644 PolarHBondContact O-NE2 3.09Å; L1584-T1650 HydrophobicContact CB-CG2 4.07Å; L1584-T1650 HydrophobicContact CD2-CG2 3.89Å |
| 1585 | N | 94.1 | Very high | 91.1 | Very high | 16 Ų | 16 | 58.8 Ų | 58.8 | 9% | 0.086 | 29% | 0.286 | C | S | . | . | trans | -98.2 | 128.6 | 178.9 | -59.7 | -40.5 | 0 | 0 | 0 | 110.4 | G1576 N1581 K1582 R1583 F1587 L1591 Y1612 N1614 | G1576-N1585 PolarHBondContact O-ND2 2.93Å; N1581-N1585 PolarHBondContact O-ND2 3.32Å; K1582-N1585 PolarHBondContact O-N 3.18Å; R1583-N1585 VanDerWaalsContact C-N 3.35Å; N1585-F1587 VanDerWaalsContact C-N 3.32Å; N1585-L1591 HydrophobicContact CB-CD2 4.03Å; N1585-L1591 VanDerWaalsContact CG-CD2 3.47Å; N1585-L1591 WeakPolarHBondContact ND2-CD2 3.11Å; N1585-Y1612 VanDerWaalsContact OD1-CE1 3.26Å; N1585-Y1612 WeakPolarHBondContact OD1-CE1 3.4Å; N1585-Y1612 PolarHBondContact OD1-OH 3.17Å; N1585-N1614 PolarHBondContact OD1-ND2 2.89Å | ||
| 1586 | R | 93.1 | Very high | 91.2 | Very high | 49 Ų | 49 | 57.8 Ų | 57.8 | 19% | 0.185 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -69.6 | -33.9 | 173.5 | -177.6 | 172.5 | -75.5 | -83.1 | 3.2 | 111.7 | A1645 P1646 L1647 | R1586-A1645 PolarHBondContact NE-O 2.88Å; R1586-P1646 PolarHBondContact NH2-O 3.24Å; R1586-L1647 HydrophobicContact CB-CD2 4.13Å; R1586-L1647 HydrophobicContact CB-CG 4.46Å; R1586-L1647 HydrophobicContact CG-CD2 4.27Å |
| 1587 | F | 91.8 | Very high | 91.5 | Very high | 76 Ų | 76 | 58.5 Ų | 58.5 | 33% | 0.333 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -128.8 | 133.3 | 175.9 | -58.8 | -80.6 | 0 | 0 | 0 | 109.7 | N1585 D1589 I1590 T1782 A1783 | N1585-F1587 VanDerWaalsContact C-N 3.32Å; F1587-D1589 VanDerWaalsContact C-N 3.26Å; F1587-D1589 WeakPolarHBondContact CB-OD1 3.46Å; F1587-D1589 PolarHBondContact O-N 2.85Å; F1587-I1590 HydrophobicContact CB-CB 4.07Å; F1587-I1590 HydrophobicContact CB-CG1 4.03Å; F1587-I1590 HydrophobicContact CG-CG1 4.5Å; F1587-T1782 HydrophobicContact CE2-CG2 3.79Å; F1587-T1782 HydrophobicContact CZ-CG2 3.72Å; F1587-A1783 HydrophobicContact CD2-CB 3.66Å; F1587-A1783 HydrophobicContact CE2-CB 3.62Å |
| 1588 | S | 87.7 | Confident | 91.7 | Very high | 108 Ų | 108 | 53.6 Ų | 53.6 | 76% | 0.755 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -71.2 | -21.3 | -177.2 | 50.8 | 0 | 0 | 0 | 0 | 113.8 | ||
| 1589 | D | 86.3 | Confident | 91.9 | Very high | 112 Ų | 112 | 52.8 Ų | 52.8 | 60% | 0.599 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -101.3 | -16.2 | -177 | 62.8 | -37.1 | 0 | 0 | 0 | 113.4 | F1587 | F1587-D1589 VanDerWaalsContact C-N 3.26Å; F1587-D1589 WeakPolarHBondContact CB-OD1 3.46Å; F1587-D1589 PolarHBondContact O-N 2.85Å |
| 1590 | I | 91.6 | Very high | 92 | Very high | 9 Ų | 9 | 46.6 Ų | 46.6 | 5% | 0.046 | 23% | 0.227 | C | C | . | . | trans | -101.1 | 85.3 | 175 | -51.3 | -68.8 | 0 | 0 | 0 | 109.6 | F1587 N1614 A1783 V1785 | F1587-I1590 HydrophobicContact CB-CB 4.07Å; F1587-I1590 HydrophobicContact CB-CG1 4.03Å; F1587-I1590 HydrophobicContact CG-CG1 4.5Å; I1590-N1614 PolarHBondContact O-ND2 2.86Å; I1590-A1783 HydrophobicContact CB-CB 4.48Å; I1590-A1783 HydrophobicContact CG1-CB 4.24Å; I1590-A1783 HydrophobicContact CG2-CB 4.18Å; I1590-V1785 HydrophobicContact CD1-CG2 4.29Å; I1590-V1785 HydrophobicContact CG2-CG1 3.64Å; I1590-V1785 HydrophobicContact CG2-CG2 4.46Å | ||
| 1591 | L | 95.1 | Very high | 91.9 | Very high | 4 Ų | 4 | 48.3 Ų | 48.3 | 2% | 0.021 | 23% | 0.228 | C | C | . | . | trans | -112.1 | 143.3 | -179 | -53.9 | 178.2 | 0 | 0 | 0 | 111 | Q1573 Q1577 N1585 P1822 | Q1573-L1591 HydrophobicContact CB-CB 3.98Å; Q1573-L1591 HydrophobicContact CB-CD1 4.19Å; Q1573-L1591 HydrophobicContact CG-CB 4.1Å; Q1573-L1591 PolarHBondContact NE2-O 2.85Å; Q1577-L1591 HydrophobicContact CB-CD1 4.49Å; Q1577-L1591 HydrophobicContact CG-CD1 3.41Å; Q1577-L1591 VanDerWaalsContact CG-CD1 3.41Å; N1585-L1591 HydrophobicContact CB-CD2 4.03Å; N1585-L1591 VanDerWaalsContact CG-CD2 3.47Å; N1585-L1591 WeakPolarHBondContact ND2-CD2 3.11Å; L1591-P1822 WeakPolarHBondContact O-CD 3.12Å; L1591-P1822 WeakPolarHBondContact O-CG 3.3Å | ||
| 1592 | P | 95.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | trans | -67.7 | 148.6 | 171.9 | 32.3 | -34.3 | 0 | 0 | 0 | 109.7 | R1597 Y1612 N1614 S1616 | P1592-R1597 HydrophobicContact CB-CB 3.84Å; P1592-R1597 HydrophobicContact CG-CB 4.04Å; P1592-Y1612 VanDerWaalsContact CD-OH 3.26Å; P1592-Y1612 WeakPolarHBondContact CD-OH 3.28Å; P1592-Y1612 HydrophobicContact CG-CE2 3.98Å; P1592-N1614 WeakPolarHBondContact CD-OD1 3.45Å; P1592-S1616 WeakPolarHBondContact CB-OG 3.4Å | ||
| 1593 | Y | 95.9 | Very high | 90.1 | Very high | 4 Ų | 4 | 47.6 Ų | 47.6 | 2% | 0.016 | 23% | 0.233 | C | C | . | . | trans | -70.4 | 143.2 | 168.7 | -56.8 | -54.7 | 0 | 0 | 0 | 110.7 | I1566 L1571 S1572 Q1573 Q1595 T1596 R1597 R1818 P1822 | I1566-Y1593 HydrophobicContact CD1-CE1 4.37Å; I1566-Y1593 WeakPolarHBondContact CD1-OH 3.31Å; I1566-Y1593 HydrophobicContact CG1-CE1 4.22Å; I1566-Y1593 WeakPolarHBondContact CG1-OH 3.23Å; L1571-Y1593 HydrophobicContact CB-CD1 3.78Å; L1571-Y1593 HydrophobicContact CB-CD2 4.3Å; L1571-Y1593 HydrophobicContact CB-CE1 4.08Å; L1571-Y1593 HydrophobicContact CB-CG 3.91Å; L1571-Y1593 HydrophobicContact CD1-CD2 3.85Å; L1571-Y1593 HydrophobicContact CD1-CE2 3.76Å; L1571-Y1593 HydrophobicContact CD1-CG 4.32Å; L1571-Y1593 HydrophobicContact CG-CD2 4.47Å; L1571-Y1593 HydrophobicContact CG-CG 4.5Å; S1572-Y1593 CarbonylContact O-C 3.57Å; S1572-Y1593 WeakPolarHBondContact O-CA 3.47Å; Q1573-Y1593 HydrophobicContact CG-CD1 3.8Å; Q1573-Y1593 HydrophobicContact CG-CE1 4.24Å; Y1593-Q1595 PolarHBondContact O-N 3.32Å; Y1593-T1596 PolarHBondContact O-N 3.35Å; Y1593-R1597 VanDerWaalsContact O-CB 3.31Å; Y1593-R1597 WeakPolarHBondContact O-CB 3.39Å; Y1593-R1597 PolarHBondContact O-N 3.12Å; Y1593-R1818 VanDerWaalsContact CE2-O 3.29Å; Y1593-R1818 WeakPolarHBondContact CE2-O 3.28Å; Y1593-R1818 PolarHBondContact OH-O 2.81Å; Y1593-P1822 HydrophobicContact CD1-CG 4.36Å; Y1593-P1822 HydrophobicContact CE1-CB 4.22Å; Y1593-P1822 HydrophobicContact CE1-CG 3.74Å; Y1593-P1822 HydrophobicContact CE2-CB 4.49Å; Y1593-P1822 HydrophobicContact CE2-CG 4.19Å; Y1593-P1822 WeakPolarHBondContact OH-CA 3.2Å; Y1593-P1822 WeakPolarHBondContact OH-CB 3.39Å | ||
| 1594 | D | 94.1 | Very high | 88.9 | Confident | 22 Ų | 22 | 44.6 Ų | 44.6 | 12% | 0.118 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -29.2 | -177.8 | -61.2 | -38.6 | 0 | 0 | 0 | 112.3 | S1572 E1574 I1575 T1596 | S1572-D1594 VanDerWaalsContact C-OD2 3.3Å; S1572-D1594 WeakPolarHBondContact CB-OD2 3.47Å; S1572-D1594 PolarHBondContact O-N 2.77Å; S1572-D1594 PolarHBondContact OG-OD2 3.27Å; E1574-D1594 PolarHBondContact N-OD2 2.89Å; I1575-D1594 WeakPolarHBondContact CB-OD1 3.27Å; I1575-D1594 HydrophobicContact CG1-CB 4.28Å; I1575-D1594 WeakPolarHBondContact CG1-OD1 3.42Å; I1575-D1594 PolarHBondContact N-OD1 2.91Å; D1594-T1596 VanDerWaalsContact C-N 3.32Å |
| 1595 | Q | 93.2 | Very high | 86.9 | Confident | 72 Ų | 72 | 52 Ų | 52 | 34% | 0.336 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -24.5 | -178.6 | -62.9 | 72 | 18.2 | 0 | 0 | 112.4 | M1570 L1571 S1572 Y1593 | M1570-Q1595 PolarHBondContact O-NE2 2.87Å; L1571-Q1595 HydrophobicContact CD2-CB 3.99Å; L1571-Q1595 HydrophobicContact CD2-CG 3.94Å; S1572-Q1595 PolarHBondContact OG-NE2 3.33Å; Y1593-Q1595 PolarHBondContact O-N 3.32Å |
| 1596 | T | 94.2 | Very high | 84.6 | Confident | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.006 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -129.3 | -1.4 | -172.4 | 61.3 | 0 | 0 | 0 | 0 | 113.1 | Y1593 D1594 S1616 F1617 Y1619 C1820 | Y1593-T1596 PolarHBondContact O-N 3.35Å; D1594-T1596 VanDerWaalsContact C-N 3.32Å; T1596-S1616 CarbonylContact O-C 3.27Å; T1596-S1616 WeakPolarHBondContact O-CA 3.37Å; T1596-F1617 WeakPolarHBondContact O-CD2 3.31Å; T1596-F1617 PolarHBondContact O-N 3.45Å; T1596-Y1619 HydrophobicContact CG2-CE2 3.85Å; T1596-C1820 WeakPolarHBondContact CB-O 3.33Å; T1596-C1820 PolarHBondContact OG1-O 2.88Å |
| 1597 | R | 94.5 | Very high | 82.6 | Confident | 15 Ų | 15 | 60.7 Ų | 60.7 | 6% | 0.057 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 146.1 | 178.1 | 71.4 | 177.9 | -178.9 | 90.3 | -1.4 | 111.2 | P1592 Y1593 K1599 D1611 A1615 | P1592-R1597 HydrophobicContact CB-CB 3.84Å; P1592-R1597 HydrophobicContact CG-CB 4.04Å; Y1593-R1597 VanDerWaalsContact O-CB 3.31Å; Y1593-R1597 WeakPolarHBondContact O-CB 3.39Å; Y1593-R1597 PolarHBondContact O-N 3.12Å; R1597-K1599 HydrophobicContact CG-CG 4.33Å; R1597-K1599 PolarHBondContact O-N 3.26Å; R1597-D1611 IonicContact CZ-OD1 3.93Å; R1597-D1611 IonicContact CZ-OD2 3.35Å; R1597-D1611 VanDerWaalsContact NH1-CG 3.3Å; R1597-D1611 PolarHBondContact NH1-O 2.84Å; R1597-D1611 IonicContact NH1-OD1 2.64Å; R1597-D1611 PolarHBondContact NH1-OD1 2.83Å; R1597-D1611 IonicContact NH1-OD2 2.83Å; R1597-D1611 PolarHBondContact NH1-OD2 3.46Å; R1597-D1611 VanDerWaalsContact NH2-CG 3.29Å; R1597-D1611 IonicContact NH2-OD1 2.65Å; R1597-D1611 PolarHBondContact NH2-OD1 2.85Å; R1597-D1611 IonicContact NH2-OD2 3.16Å; R1597-D1611 PolarHBondContact NH2-OD2 3.09Å; R1597-A1615 CarbonylContact C-O 3.52Å; R1597-A1615 VanDerWaalsContact CA-O 3.28Å; R1597-A1615 WeakPolarHBondContact CA-O 3.47Å |
| 1598 | V | 96 | Very high | 80.7 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 130.2 | 168.9 | -173.2 | 0 | 0 | 0 | 0 | 108.5 | V1613 A1615 F1617 I1641 M1657 Q1661 | V1598-V1613 HydrophobicContact CB-CG1 4.09Å; V1598-V1613 HydrophobicContact CG1-CG1 4.35Å; V1598-A1615 HydrophobicContact CB-CB 4.16Å; V1598-A1615 HydrophobicContact CG2-CB 3.86Å; V1598-A1615 PolarHBondContact N-O 3.43Å; V1598-F1617 HydrophobicContact CB-CE1 4.49Å; V1598-F1617 HydrophobicContact CB-CE2 4.4Å; V1598-F1617 HydrophobicContact CB-CZ 4.2Å; V1598-F1617 HydrophobicContact CG1-CE1 4.22Å; V1598-F1617 HydrophobicContact CG1-CZ 3.9Å; V1598-F1617 HydrophobicContact CG2-CD1 3.94Å; V1598-F1617 HydrophobicContact CG2-CD2 4.32Å; V1598-F1617 HydrophobicContact CG2-CE1 3.81Å; V1598-F1617 HydrophobicContact CG2-CE2 4.2Å; V1598-F1617 HydrophobicContact CG2-CG 4.21Å; V1598-F1617 HydrophobicContact CG2-CZ 3.95Å; V1598-I1641 HydrophobicContact CG2-CD1 4.34Å; V1598-I1641 HydrophobicContact CG2-CG1 4.24Å; V1598-I1641 HydrophobicContact CG2-CG2 3.81Å; V1598-M1657 HydrophobicContact CB-SD 4.16Å; V1598-M1657 HydrophobicContact CG1-CG 3.76Å; V1598-M1657 HydrophobicContact CG1-SD 4.01Å; V1598-M1657 HydrophobicContact CG2-SD 4.27Å; V1598-Q1661 HydrophobicContact CG1-CG 3.76Å |
| 1599 | K | 93.2 | Very high | 79.3 | Confident | 108 Ų | 108 | 62.7 Ų | 62.7 | 47% | 0.47 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 126.7 | 176.3 | -51.4 | -168.1 | 179.4 | 174.3 | 0 | 108.8 | R1597 D1611 | R1597-K1599 HydrophobicContact CG-CG 4.33Å; R1597-K1599 PolarHBondContact O-N 3.26Å; K1599-D1611 WeakPolarHBondContact CA-O 3.35Å |
| 1600 | L | 88.2 | Confident | 78.8 | Confident | 3 Ų | 3 | 61.6 Ų | 61.6 | 2% | 0.016 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 137.1 | 175.4 | -58.3 | 175 | 0 | 0 | 0 | 109.7 | D1611 V1613 D1653 R1656 M1657 | L1600-D1611 PolarHBondContact N-O 2.86Å; L1600-V1613 HydrophobicContact CD1-CB 4.37Å; L1600-V1613 HydrophobicContact CD2-CB 4.28Å; L1600-V1613 HydrophobicContact CD2-CG1 3.92Å; L1600-V1613 HydrophobicContact CG-CB 4.31Å; L1600-V1613 HydrophobicContact CG-CG1 4.14Å; L1600-D1653 HydrophobicContact CD1-CB 3.9Å; L1600-R1656 HydrophobicContact CD2-CG 4.31Å; L1600-M1657 HydrophobicContact CD2-CB 3.83Å |
| 1601 | K | 82.6 | Confident | 78.7 | Confident | 116 Ų | 116 | 63 Ų | 63 | 50% | 0.504 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 127.7 | -178.9 | -70 | -179 | -172.3 | 165.4 | 0 | 109.8 | L1603 R1656 D1660 | K1601-L1603 PolarHBondContact O-N 3.18Å; K1601-R1656 PolarHBondContact O-NH2 2.85Å; K1601-D1660 HydrophobicContact CD-CB 4.17Å; K1601-D1660 WeakPolarHBondContact CD-OD1 3.33Å; K1601-D1660 WeakPolarHBondContact CE-O 3.32Å; K1601-D1660 HydrophobicContact CG-CB 4.1Å; K1601-D1660 PolarHBondContact N-OD2 2.78Å; K1601-D1660 PolarHBondContact NZ-O 3.29Å |
| 1602 | P | 73.6 | Confident | 78.5 | Confident | 73 Ų | 73 | 63 Ų | 63 | 47% | 0.474 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -63 | 128.1 | -175 | 22.4 | -31.2 | 0 | 0 | 0 | 112 | ||
| 1603 | L | 69.7 | Low | 78.5 | Confident | 39 Ų | 39 | 63.4 Ų | 63.4 | 20% | 0.204 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -81.6 | -22.3 | -177.6 | -66.6 | 167.7 | 0 | 0 | 0 | 113.5 | K1601 S1696 D1697 L1699 | K1601-L1603 PolarHBondContact O-N 3.18Å; L1603-S1696 WeakPolarHBondContact CD1-O 3.1Å; L1603-D1697 HydrophobicContact CD1-CB 4.03Å; L1603-L1699 HydrophobicContact CD1-CB 3.71Å; L1603-L1699 HydrophobicContact CD2-CB 3.94Å; L1603-L1699 HydrophobicContact CD2-CD1 4.41Å; L1603-L1699 HydrophobicContact CD2-CD2 4.12Å; L1603-L1699 HydrophobicContact CD2-CG 4.39Å; L1603-L1699 HydrophobicContact CG-CB 4.5Å |
| 1604 | Q | 63.4 | Low | 78.5 | Confident | 92 Ų | 92 | 63.3 Ų | 63.3 | 43% | 0.43 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -142.4 | 142.3 | 176.9 | -68.7 | -173 | -1.3 | 0 | 0 | 110.5 | T1606 Y1698 | Q1604-T1606 PolarHBondContact O-N 2.8Å; Q1604-Y1698 HydrophobicContact CG-CD2 4.44Å |
| 1605 | K | 50.6 | Low | 78.6 | Confident | 174 Ų | 174 | 62.3 Ų | 62.3 | 76% | 0.757 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -10.8 | -176.5 | -80.9 | -179.3 | 176.4 | 174.2 | 0 | 115.2 | ||
| 1606 | T | 45.7 | Very low | 78.8 | Confident | 115 Ų | 115 | 58.9 Ų | 58.9 | 71% | 0.706 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.3 | -5.1 | -166.5 | 49.2 | 0 | 0 | 0 | 0 | 115.7 | Q1604 | Q1604-T1606 PolarHBondContact O-N 2.8Š|
| 1607 | K | 50.9 | Low | 79 | Confident | 132 Ų | 132 | 60 Ų | 60 | 57% | 0.574 | 29% | 0.292 | S | S | * | . | trans | -132.6 | 100.2 | 175.6 | -78.9 | -173.2 | 176 | -179.1 | 0 | 110.8 | D1609 | K1607-D1609 VanDerWaalsContact C-N 3.29Š| ||
| 1608 | Q | 53.7 | Low | 79.1 | Confident | 108 Ų | 108 | 59.3 Ų | 59.3 | 51% | 0.505 | 29% | 0.289 | S | S | . | . | trans | -83.9 | -2.5 | -178.4 | -140 | 169.7 | -3 | 0 | 0 | 113 | ||||
| 1609 | D | 58.5 | Low | 79.1 | Confident | 118 Ų | 118 | 60.6 Ų | 60.6 | 63% | 0.631 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -86.2 | -9.4 | -167.6 | -76.6 | -31.1 | 0 | 0 | 0 | 116.1 | K1607 | K1607-D1609 VanDerWaalsContact C-N 3.29Š|
| 1610 | H | 75.6 | Confident | 79.1 | Confident | 88 Ų | 88 | 57.9 Ų | 57.9 | 41% | 0.407 | 28% | 0.284 | S | S | . | . | trans | -112.3 | 53.2 | -176.5 | -76 | -94.3 | 0 | 0 | 0 | 113 | D1697 | H1610-D1697 WeakPolarHBondContact CB-OD2 3.45Å; H1610-D1697 IonicContact CG-OD1 3.69Å; H1610-D1697 IonicContact CG-OD2 2.93Å; H1610-D1697 IonicContact ND1-OD1 2.64Å | ||
| 1611 | D | 87.9 | Confident | 79.3 | Confident | 39 Ų | 39 | 58 Ų | 58 | 21% | 0.209 | 28% | 0.284 | C | S | . | . | trans | -102.8 | 3.9 | 178 | 81.5 | -15.1 | 0 | 0 | 0 | 113.5 | R1597 K1599 L1600 | R1597-D1611 IonicContact CZ-OD1 3.93Å; R1597-D1611 IonicContact CZ-OD2 3.35Å; R1597-D1611 VanDerWaalsContact NH1-CG 3.3Å; R1597-D1611 PolarHBondContact NH1-O 2.84Å; R1597-D1611 IonicContact NH1-OD1 2.64Å; R1597-D1611 PolarHBondContact NH1-OD1 2.83Å; R1597-D1611 IonicContact NH1-OD2 2.83Å; R1597-D1611 PolarHBondContact NH1-OD2 3.46Å; R1597-D1611 VanDerWaalsContact NH2-CG 3.29Å; R1597-D1611 IonicContact NH2-OD1 2.65Å; R1597-D1611 PolarHBondContact NH2-OD1 2.85Å; R1597-D1611 IonicContact NH2-OD2 3.16Å; R1597-D1611 PolarHBondContact NH2-OD2 3.09Å; K1599-D1611 WeakPolarHBondContact CA-O 3.35Å; L1600-D1611 PolarHBondContact N-O 2.86Å | ||
| 1612 | Y | 92.4 | Very high | 79.6 | Confident | 4 Ų | 4 | 56.1 Ų | 56.1 | 2% | 0.016 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 127.7 | -168.2 | -174.3 | -99.3 | 0 | 0 | 0 | 113.3 | I1575 G1576 N1581 L1584 N1585 P1592 N1614 | I1575-Y1612 HydrophobicContact CG2-CD2 3.67Å; I1575-Y1612 HydrophobicContact CG2-CE2 4.27Å; I1575-Y1612 HydrophobicContact CG2-CG 4.47Å; G1576-Y1612 VanDerWaalsContact CA-OH 3.31Å; G1576-Y1612 WeakPolarHBondContact CA-OH 3.43Å; N1581-Y1612 HydrophobicContact CB-CD1 3.72Å; N1581-Y1612 HydrophobicContact CB-CE1 4Å; N1581-Y1612 HydrophobicContact CB-CG 4.02Å; L1584-Y1612 HydrophobicContact CB-CD1 4.11Å; L1584-Y1612 HydrophobicContact CB-CE1 4.21Å; L1584-Y1612 HydrophobicContact CD1-CD1 3.93Å; N1585-Y1612 VanDerWaalsContact OD1-CE1 3.26Å; N1585-Y1612 WeakPolarHBondContact OD1-CE1 3.4Å; N1585-Y1612 PolarHBondContact OD1-OH 3.17Å; P1592-Y1612 VanDerWaalsContact CD-OH 3.26Å; P1592-Y1612 WeakPolarHBondContact CD-OH 3.28Å; P1592-Y1612 HydrophobicContact CG-CE2 3.98Å; Y1612-N1614 HydrophobicContact CE1-CB 4.38Å |
| 1613 | V | 94.2 | Very high | 80.1 | Confident | 9 Ų | 9 | 54.5 Ų | 54.5 | 6% | 0.055 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 142.9 | 162.5 | 60.9 | 0 | 0 | 0 | 0 | 107.7 | V1598 L1600 A1615 M1657 | V1598-V1613 HydrophobicContact CB-CG1 4.09Å; V1598-V1613 HydrophobicContact CG1-CG1 4.35Å; L1600-V1613 HydrophobicContact CD1-CB 4.37Å; L1600-V1613 HydrophobicContact CD2-CB 4.28Å; L1600-V1613 HydrophobicContact CD2-CG1 3.92Å; L1600-V1613 HydrophobicContact CG-CB 4.31Å; L1600-V1613 HydrophobicContact CG-CG1 4.14Å; V1613-A1615 HydrophobicContact CG1-CB 4.36Å; V1613-A1615 PolarHBondContact O-N 2.88Å; V1613-M1657 HydrophobicContact CG1-CG 4.44Å; V1613-M1657 HydrophobicContact CG1-SD 3.9Å; V1613-M1657 HydrophobicContact CG2-SD 4.31Å |
| 1614 | N | 95.9 | Very high | 80.6 | Confident | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.011 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 76 | 179.6 | -170.1 | -36.1 | 0 | 0 | 0 | 111.1 | N1585 I1590 P1592 Y1612 Q1644 R1821 | N1585-N1614 PolarHBondContact OD1-ND2 2.89Å; I1590-N1614 PolarHBondContact O-ND2 2.86Å; P1592-N1614 WeakPolarHBondContact CD-OD1 3.45Å; Y1612-N1614 HydrophobicContact CE1-CB 4.38Å; N1614-Q1644 HydrophobicContact CB-CG 3.96Å; N1614-Q1644 PolarHBondContact ND2-OE1 2.97Å; N1614-Q1644 PolarHBondContact O-N 2.8Å; N1614-R1821 PolarHBondContact OD1-NH1 2.87Å; N1614-R1821 PolarHBondContact OD1-NH2 2.99Å |
| 1615 | A | 97.1 | Very high | 81.4 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 153.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | R1597 V1598 V1613 I1641 A1642 M1657 | R1597-A1615 CarbonylContact C-O 3.52Å; R1597-A1615 VanDerWaalsContact CA-O 3.28Å; R1597-A1615 WeakPolarHBondContact CA-O 3.47Å; V1598-A1615 HydrophobicContact CB-CB 4.16Å; V1598-A1615 HydrophobicContact CG2-CB 3.86Å; V1598-A1615 PolarHBondContact N-O 3.43Å; V1613-A1615 HydrophobicContact CG1-CB 4.36Å; V1613-A1615 PolarHBondContact O-N 2.88Å; A1615-I1641 HydrophobicContact CB-CG2 3.95Å; A1615-A1642 CarbonylContact C-O 3.53Å; A1615-A1642 VanDerWaalsContact CA-O 3.29Å; A1615-A1642 WeakPolarHBondContact CA-O 2.93Å; A1615-M1657 HydrophobicContact CB-CE 4.31Å; A1615-M1657 HydrophobicContact CB-SD 3.49Å; A1615-M1657 WeakPolarHBondContact CB-SD 3.42Å |
| 1616 | S | 98 | Very high | 82.9 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 139.8 | 178.6 | -56.7 | 0 | 0 | 0 | 0 | 110.6 | P1592 T1596 I1618 I1641 A1642 R1821 | P1592-S1616 WeakPolarHBondContact CB-OG 3.4Å; T1596-S1616 CarbonylContact O-C 3.27Å; T1596-S1616 WeakPolarHBondContact O-CA 3.37Å; S1616-I1618 PolarHBondContact O-N 2.84Å; S1616-I1641 WeakPolarHBondContact O-CA 3.48Å; S1616-A1642 PolarHBondContact N-O 2.85Å; S1616-A1642 PolarHBondContact O-N 3.39Å; S1616-R1821 PolarHBondContact OG-NH1 3.39Å; S1616-R1821 VanDerWaalsContact OG-NH1 3.15Å |
| 1617 | F | 97.7 | Very high | 84.3 | Confident | 25 Ų | 25 | 43.9 Ų | 43.9 | 11% | 0.11 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 129.7 | 163.9 | -63.7 | -60.8 | 0 | 0 | 0 | 109.4 | T1596 V1598 Y1619 I1638 I1641 Q1661 C1820 | T1596-F1617 WeakPolarHBondContact O-CD2 3.31Å; T1596-F1617 PolarHBondContact O-N 3.45Å; V1598-F1617 HydrophobicContact CB-CE1 4.49Å; V1598-F1617 HydrophobicContact CB-CE2 4.4Å; V1598-F1617 HydrophobicContact CB-CZ 4.2Å; V1598-F1617 HydrophobicContact CG1-CE1 4.22Å; V1598-F1617 HydrophobicContact CG1-CZ 3.9Å; V1598-F1617 HydrophobicContact CG2-CD1 3.94Å; V1598-F1617 HydrophobicContact CG2-CD2 4.32Å; V1598-F1617 HydrophobicContact CG2-CE1 3.81Å; V1598-F1617 HydrophobicContact CG2-CE2 4.2Å; V1598-F1617 HydrophobicContact CG2-CG 4.21Å; V1598-F1617 HydrophobicContact CG2-CZ 3.95Å; F1617-Y1619 HydrophobicContact CB-CE1 4.05Å; F1617-Y1619 HydrophobicContact CB-CE2 4.39Å; F1617-I1638 HydrophobicContact CB-CG1 4.43Å; F1617-I1638 HydrophobicContact CB-CG2 4.33Å; F1617-I1638 HydrophobicContact CD1-CB 4.39Å; F1617-I1638 HydrophobicContact CD1-CD1 3.61Å; F1617-I1638 HydrophobicContact CD1-CG1 3.93Å; F1617-I1638 HydrophobicContact CD1-CG2 3.54Å; F1617-I1638 HydrophobicContact CE1-CD1 3.58Å; F1617-I1638 HydrophobicContact CE1-CG1 4.4Å; F1617-I1638 HydrophobicContact CE1-CG2 4.26Å; F1617-I1638 HydrophobicContact CG-CD1 4.12Å; F1617-I1638 HydrophobicContact CG-CG1 4.22Å; F1617-I1638 HydrophobicContact CG-CG2 4.31Å; F1617-I1638 HydrophobicContact CZ-CD1 4.09Å; F1617-I1641 HydrophobicContact CD1-CD1 4.16Å; F1617-I1641 HydrophobicContact CD1-CG1 3.77Å; F1617-I1641 HydrophobicContact CE1-CD1 3.93Å; F1617-I1641 HydrophobicContact CE1-CG1 4.07Å; F1617-Q1661 HydrophobicContact CE1-CG 4.25Å; F1617-Q1661 VanDerWaalsContact CE1-OE1 3.31Å; F1617-Q1661 VanDerWaalsContact CZ-OE1 3.3Å; F1617-C1820 WeakPolarHBondContact O-CB 3.48Å |
| 1618 | I | 96.6 | Very high | 85.2 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 110.8 | 164.5 | -46.2 | -58.2 | 0 | 0 | 0 | 106.2 | S1616 A1639 Y1640 A1642 I1792 M1817 C1820 R1821 M1824 | S1616-I1618 PolarHBondContact O-N 2.84Å; I1618-A1639 PolarHBondContact O-N 3.24Å; I1618-Y1640 HydrophobicContact CB-CD2 4.27Å; I1618-Y1640 HydrophobicContact CG2-CD2 4.26Å; I1618-Y1640 PolarHBondContact N-O 2.99Å; I1618-Y1640 PolarHBondContact O-N 2.82Å; I1618-A1642 HydrophobicContact CD1-CB 3.89Å; I1618-A1642 HydrophobicContact CG1-CB 3.81Å; I1618-I1792 HydrophobicContact CG1-CD1 4.1Å; I1618-I1792 HydrophobicContact CG2-CG2 4.43Å; I1618-M1817 HydrophobicContact CG2-CG 4.19Å; I1618-C1820 HydrophobicContact CD1-CB 3.51Å; I1618-R1821 HydrophobicContact CD1-CB 4.02Å; I1618-M1824 HydrophobicContact CD1-CE 4.12Å; I1618-M1824 HydrophobicContact CG1-CE 4.43Å |
| 1619 | Y | 95 | Very high | 85.9 | Confident | 28 Ų | 28 | 44.4 Ų | 44.4 | 11% | 0.11 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 163.5 | -177.8 | -55.7 | -76.8 | 0 | 0 | 0 | 111.4 | T1596 F1617 I1621 L1633 N1634 R1635 K1637 I1638 | T1596-Y1619 HydrophobicContact CG2-CE2 3.85Å; F1617-Y1619 HydrophobicContact CB-CE1 4.05Å; F1617-Y1619 HydrophobicContact CB-CE2 4.39Å; Y1619-I1621 PolarHBondContact O-N 2.98Å; Y1619-L1633 HydrophobicContact CD2-CD2 4.08Å; Y1619-L1633 HydrophobicContact CD2-CG 4.37Å; Y1619-N1634 WeakPolarHBondContact CB-O 3.35Å; Y1619-R1635 HydrophobicContact CD1-CB 4.5Å; Y1619-R1635 VanDerWaalsContact CD1-O 3.25Å; Y1619-R1635 WeakPolarHBondContact CD1-O 3.16Å; Y1619-R1635 HydrophobicContact CD2-CG 4.15Å; Y1619-R1635 VanDerWaalsContact CE1-O 3.23Å; Y1619-R1635 WeakPolarHBondContact CE1-O 3.43Å; Y1619-R1635 HydrophobicContact CE2-CG 4.31Å; Y1619-R1635 HydrophobicContact CG-CB 4.46Å; Y1619-R1635 HydrophobicContact CG-CG 4.49Å; Y1619-K1637 CarbonylContact C-O 3.59Å; Y1619-K1637 VanDerWaalsContact CA-O 3.31Å; Y1619-K1637 WeakPolarHBondContact CA-O 3.21Å; Y1619-I1638 HydrophobicContact CD1-CG1 4.07Å; Y1619-I1638 HydrophobicContact CE1-CG1 4.02Å |
| 1620 | E | 93.6 | Very high | 87.1 | Confident | 51 Ų | 51 | 42.4 Ų | 42.4 | 24% | 0.238 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.7 | 132.9 | 172.4 | 178.3 | -179 | -114.3 | 0 | 0 | 109.8 | N1634 K1637 A1639 | E1620-N1634 HydrophobicContact CB-CB 4.22Å; E1620-N1634 PolarHBondContact O-N 2.85Å; E1620-N1634 PolarHBondContact OE2-ND2 2.82Å; E1620-K1637 HydrophobicContact CB-CB 4.05Å; E1620-K1637 HydrophobicContact CB-CG 4.24Å; E1620-K1637 PolarHBondContact N-O 3.36Å; E1620-K1637 WeakPolarHBondContact OE1-CD 3.47Å; E1620-K1637 VanDerWaalsContact OE1-CE 3.31Å; E1620-K1637 WeakPolarHBondContact OE1-CE 2.96Å; E1620-K1637 IonicContact OE1-NZ 3.44Å; E1620-K1637 PolarHBondContact OE1-NZ 2.69Å; E1620-K1637 IonicContact OE2-NZ 3.06Å; E1620-A1639 HydrophobicContact CB-CB 4.48Å |
| 1621 | I | 93.5 | Very high | 87.6 | Confident | 4 Ų | 4 | 38.2 Ų | 38.2 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 117.9 | 173.6 | -61.1 | 170.2 | 0 | 0 | 0 | 106.1 | Y1619 P1631 V1632 L1633 L1796 Y1800 I1813 Q1816 M1817 | Y1619-I1621 PolarHBondContact O-N 2.98Å; I1621-P1631 HydrophobicContact CG2-CB 3.55Å; I1621-V1632 CarbonylContact C-O 3.5Å; I1621-V1632 WeakPolarHBondContact CA-O 3.3Å; I1621-L1633 HydrophobicContact CG1-CD1 3.86Å; I1621-L1796 HydrophobicContact CB-CD1 4.48Å; I1621-L1796 HydrophobicContact CD1-CD1 3.9Å; I1621-Y1800 VanDerWaalsContact C-OH 3.28Å; I1621-Y1800 WeakPolarHBondContact CG2-OH 3.48Å; I1621-Y1800 PolarHBondContact O-OH 3.39Å; I1621-I1813 HydrophobicContact CD1-CG2 4.07Å; I1621-Q1816 HydrophobicContact CD1-CB 3.84Å; I1621-Q1816 HydrophobicContact CG1-CB 4.08Å; I1621-Q1816 HydrophobicContact CG2-CB 4.36Å; I1621-Q1816 HydrophobicContact CG2-CG 4.36Å; I1621-M1817 HydrophobicContact CD1-CG 3.56Å |
| 1622 | I | 87.4 | Confident | 87.5 | Confident | 78 Ų | 78 | 40.6 Ų | 40.6 | 40% | 0.4 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 131.3 | 178 | -58.9 | 178.7 | 0 | 0 | 0 | 108 | P1631 V1632 N1634 | I1622-P1631 VanDerWaalsContact O-CA 3.23Å; I1622-P1631 WeakPolarHBondContact O-CA 3.31Å; I1622-P1631 WeakPolarHBondContact O-CB 3.48Å; I1622-V1632 PolarHBondContact N-O 3.07Å; I1622-V1632 PolarHBondContact O-N 2.9Å; I1622-V1632 VanDerWaalsContact O-N 3.08Å; I1622-N1634 HydrophobicContact CD1-CB 4Å; I1622-N1634 HydrophobicContact CG1-CB 4.13Å |
| 1623 | P | 84.1 | Confident | 87.3 | Confident | 39 Ų | 39 | 41.5 Ų | 41.5 | 25% | 0.253 | 22% | 0.216 | S | C | . | . | P | Polyproline II helix | trans | -67.5 | 166.3 | -178.4 | 26.3 | -33.2 | 0 | 0 | 0 | 113.2 | Y1800 C1805 | P1623-Y1800 HydrophobicContact CB-CD1 3.84Å; P1623-Y1800 HydrophobicContact CB-CD2 3.97Å; P1623-Y1800 HydrophobicContact CB-CE1 3.78Å; P1623-Y1800 HydrophobicContact CB-CE2 3.88Å; P1623-Y1800 HydrophobicContact CB-CG 3.95Å; P1623-Y1800 HydrophobicContact CG-CD1 4.04Å; P1623-Y1800 HydrophobicContact CG-CE1 3.97Å; P1623-C1805 VanDerWaalsContact CB-SG 3.51Å; P1623-C1805 WeakPolarHBondContact CG-SG 3.41Å |
| 1624 | C | 81.4 | Confident | 87.1 | Confident | 9 Ų | 9 | 42.9 Ų | 42.9 | 6% | 0.061 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -65.4 | 137 | 175.4 | -52.6 | 0 | 0 | 0 | 0 | 110.9 | P1530 T1629 P1631 | P1530-C1624 HydrophobicContact CB-CB 4.07Å; P1530-C1624 HydrophobicContact CG-CB 4.19Å; C1624-T1629 WeakPolarHBondContact CA-O 3.39Å; C1624-T1629 WeakPolarHBondContact CB-O 3.36Å; C1624-T1629 PolarHBondContact SG-O 3.01Å; C1624-P1631 WeakPolarHBondContact SG-CD 3.47Å; C1624-P1631 VanDerWaalsContact SG-CG 3.59Å |
| 1625 | T | 80 | Confident | 86.5 | Confident | 113 Ų | 113 | 48 Ų | 48 | 69% | 0.693 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -95.9 | -16.5 | 175.4 | 53.2 | 0 | 0 | 0 | 0 | 113.2 | T1629 Y1807 | T1625-T1629 PolarHBondContact N-OG1 3.49Å; T1625-T1629 PolarHBondContact OG1-OG1 2.97Å; T1625-Y1807 WeakPolarHBondContact O-CE2 3.26Å |
| 1626 | S | 82.8 | Confident | 85.9 | Confident | 30 Ų | 30 | 52.9 Ų | 52.9 | 21% | 0.21 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -153.4 | 173 | -178.3 | 75.5 | 0 | 0 | 0 | 0 | 110.9 | Y1628 T1629 Y1807 | S1626-Y1628 PolarHBondContact O-N 2.81Å; S1626-Y1628 PolarHBondContact OG-N 2.75Å; S1626-Y1628 VanDerWaalsContact OG-N 3.13Å; S1626-T1629 PolarHBondContact N-OG1 3.21Å; S1626-T1629 PolarHBondContact O-N 2.05Å; S1626-T1629 PolarHBondContact OG-N 3.11Å; S1626-T1629 PolarHBondContact OG-OG1 2.94Å; S1626-Y1807 VanDerWaalsContact CA-CD2 3.46Å |
| 1627 | V | 75.2 | Confident | 85.3 | Confident | 44 Ų | 44 | 57 Ų | 57 | 27% | 0.267 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -12.6 | 171.1 | -51.1 | 0 | 0 | 0 | 0 | 113.5 | P1530 Y1807 | P1530-V1627 WeakPolarHBondContact CD-O 3.44Å; V1627-Y1807 HydrophobicContact CB-CE1 4.33Å; V1627-Y1807 HydrophobicContact CG1-CD1 3.68Å; V1627-Y1807 HydrophobicContact CG1-CE1 3.18Å |
| 1628 | Y | 68 | Low | 85 | Confident | 198 Ų | 198 | 58.7 Ų | 58.7 | 78% | 0.776 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.5 | -5.1 | -176 | -51.9 | -68.4 | 0 | 0 | 0 | 113 | S1626 | S1626-Y1628 PolarHBondContact O-N 2.81Å; S1626-Y1628 PolarHBondContact OG-N 2.75Å; S1626-Y1628 VanDerWaalsContact OG-N 3.13Å |
| 1629 | T | 70 | Confident | 84.8 | Confident | 53 Ų | 53 | 60 Ų | 60 | 33% | 0.325 | 31% | 0.306 | S | S | . | . | trans | -115.7 | 112.8 | -176.1 | 47.4 | 0 | 0 | 0 | 0 | 110.6 | C1624 T1625 S1626 | C1624-T1629 WeakPolarHBondContact CA-O 3.39Å; C1624-T1629 WeakPolarHBondContact CB-O 3.36Å; C1624-T1629 PolarHBondContact SG-O 3.01Å; T1625-T1629 PolarHBondContact N-OG1 3.49Å; T1625-T1629 PolarHBondContact OG1-OG1 2.97Å; S1626-T1629 PolarHBondContact N-OG1 3.21Å; S1626-T1629 PolarHBondContact O-N 2.05Å; S1626-T1629 PolarHBondContact OG-N 3.11Å; S1626-T1629 PolarHBondContact OG-OG1 2.94Å | ||
| 1630 | H | 83.3 | Confident | 84.9 | Confident | 76 Ų | 76 | 59 Ų | 59 | 35% | 0.352 | 30% | 0.303 | S | S | . | . | trans | -74.8 | 161.8 | 177 | -68.1 | -74.4 | 0 | 0 | 0 | 112.3 | D1809 | H1630-D1809 IonicContact CE1-OD2 3.44Å; H1630-D1809 IonicContact CG-OD2 3.32Å; H1630-D1809 IonicContact ND1-OD2 2.68Å; H1630-D1809 PolarHBondContact ND1-OD2 3.33Å | ||
| 1631 | P | 86.2 | Confident | 85.1 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.006 | 29% | 0.292 | C | S | . | . | trans | -61.6 | 142 | 177 | -18.3 | 30.5 | 0 | 0 | 0 | 112.4 | I1621 I1622 C1624 D1809 I1813 Q1816 | I1621-P1631 HydrophobicContact CG2-CB 3.55Å; I1622-P1631 VanDerWaalsContact O-CA 3.23Å; I1622-P1631 WeakPolarHBondContact O-CA 3.31Å; I1622-P1631 WeakPolarHBondContact O-CB 3.48Å; C1624-P1631 WeakPolarHBondContact SG-CD 3.47Å; C1624-P1631 VanDerWaalsContact SG-CG 3.59Å; P1631-D1809 VanDerWaalsContact CD-OD2 3.29Å; P1631-D1809 WeakPolarHBondContact CD-OD2 3.34Å; P1631-D1809 HydrophobicContact CG-CB 4.02Å; P1631-I1813 HydrophobicContact CB-CG1 4.37Å; P1631-I1813 HydrophobicContact CG-CG1 3.99Å; P1631-Q1816 WeakPolarHBondContact O-CG 3.49Å; P1631-Q1816 PolarHBondContact O-NE2 2.84Å | ||
| 1632 | V | 85.9 | Confident | 85.4 | Confident | 88 Ų | 88 | 56.4 Ų | 56.4 | 53% | 0.533 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 140.1 | -174.7 | -176.4 | 0 | 0 | 0 | 0 | 111.2 | I1621 I1622 | I1621-V1632 CarbonylContact C-O 3.5Å; I1621-V1632 WeakPolarHBondContact CA-O 3.3Å; I1622-V1632 PolarHBondContact N-O 3.07Å; I1622-V1632 PolarHBondContact O-N 2.9Å; I1622-V1632 VanDerWaalsContact O-N 3.08Å |
| 1633 | L | 88.2 | Confident | 85.9 | Confident | 23 Ų | 23 | 52.8 Ų | 52.8 | 12% | 0.12 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 119 | 179.5 | -167.4 | 76.1 | 0 | 0 | 0 | 111.8 | Y1619 I1621 R1635 Q1816 | Y1619-L1633 HydrophobicContact CD2-CD2 4.08Å; Y1619-L1633 HydrophobicContact CD2-CG 4.37Å; I1621-L1633 HydrophobicContact CG1-CD1 3.86Å; L1633-R1635 HydrophobicContact CD2-CG 4.07Å; L1633-R1635 HydrophobicContact CG-CG 4.44Å; L1633-R1635 PolarHBondContact O-N 3.41Å; L1633-Q1816 HydrophobicContact CB-CB 4.48Å; L1633-Q1816 HydrophobicContact CD1-CB 4.28Å |
| 1634 | N | 88.7 | Confident | 86.4 | Confident | 38 Ų | 38 | 51.2 Ų | 51.2 | 20% | 0.203 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 90 | 173.9 | 178.9 | 9.3 | 0 | 0 | 0 | 111.4 | Y1619 E1620 I1622 N1636 K1637 | Y1619-N1634 WeakPolarHBondContact CB-O 3.35Å; E1620-N1634 HydrophobicContact CB-CB 4.22Å; E1620-N1634 PolarHBondContact O-N 2.85Å; E1620-N1634 PolarHBondContact OE2-ND2 2.82Å; I1622-N1634 HydrophobicContact CD1-CB 4Å; I1622-N1634 HydrophobicContact CG1-CB 4.13Å; N1634-N1636 PolarHBondContact O-N 3.41Å; N1634-N1636 PolarHBondContact OD1-N 3.24Å; N1634-K1637 PolarHBondContact O-N 3.14Å |
| 1635 | R | 84.4 | Confident | 87.1 | Confident | 111 Ų | 111 | 50.8 Ų | 50.8 | 42% | 0.419 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | -10.9 | -176.5 | -65.2 | -172.1 | -179 | -141.1 | 3.1 | 115.3 | D1569 Y1619 L1633 | D1569-R1635 IonicContact OD2-NH2 3.94Å; Y1619-R1635 HydrophobicContact CD1-CB 4.5Å; Y1619-R1635 VanDerWaalsContact CD1-O 3.25Å; Y1619-R1635 WeakPolarHBondContact CD1-O 3.16Å; Y1619-R1635 HydrophobicContact CD2-CG 4.15Å; Y1619-R1635 VanDerWaalsContact CE1-O 3.23Å; Y1619-R1635 WeakPolarHBondContact CE1-O 3.43Å; Y1619-R1635 HydrophobicContact CE2-CG 4.31Å; Y1619-R1635 HydrophobicContact CG-CB 4.46Å; Y1619-R1635 HydrophobicContact CG-CG 4.49Å; L1633-R1635 HydrophobicContact CD2-CG 4.07Å; L1633-R1635 HydrophobicContact CG-CG 4.44Å; L1633-R1635 PolarHBondContact O-N 3.41Å |
| 1636 | N | 83.3 | Confident | 87.8 | Confident | 102 Ų | 102 | 45.4 Ų | 45.4 | 55% | 0.545 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | -12.3 | -179.9 | -63.7 | -25.8 | 0 | 0 | 0 | 113.3 | N1634 | N1634-N1636 PolarHBondContact O-N 3.41Å; N1634-N1636 PolarHBondContact OD1-N 3.24Å |
| 1637 | K | 86.8 | Confident | 88.4 | Confident | 87 Ų | 87 | 45.5 Ų | 45.5 | 38% | 0.378 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 113.4 | -176.2 | -171.3 | 164 | 165.8 | -159.8 | 0 | 110.4 | Y1619 E1620 N1634 A1639 | Y1619-K1637 CarbonylContact C-O 3.59Å; Y1619-K1637 VanDerWaalsContact CA-O 3.31Å; Y1619-K1637 WeakPolarHBondContact CA-O 3.21Å; E1620-K1637 HydrophobicContact CB-CB 4.05Å; E1620-K1637 HydrophobicContact CB-CG 4.24Å; E1620-K1637 PolarHBondContact N-O 3.36Å; E1620-K1637 WeakPolarHBondContact OE1-CD 3.47Å; E1620-K1637 VanDerWaalsContact OE1-CE 3.31Å; E1620-K1637 WeakPolarHBondContact OE1-CE 2.96Å; E1620-K1637 IonicContact OE1-NZ 3.44Å; E1620-K1637 PolarHBondContact OE1-NZ 2.69Å; E1620-K1637 IonicContact OE2-NZ 3.06Å; N1634-K1637 PolarHBondContact O-N 3.14Å; K1637-A1639 PolarHBondContact O-N 2.71Å |
| 1638 | I | 91.7 | Very high | 89.1 | Confident | 60 Ų | 60 | 51.7 Ų | 51.7 | 31% | 0.308 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 117.5 | 176.6 | -58.9 | 160.9 | 0 | 0 | 0 | 107.7 | F1617 Y1619 I1641 P1776 | F1617-I1638 HydrophobicContact CB-CG1 4.43Å; F1617-I1638 HydrophobicContact CB-CG2 4.33Å; F1617-I1638 HydrophobicContact CD1-CB 4.39Å; F1617-I1638 HydrophobicContact CD1-CD1 3.61Å; F1617-I1638 HydrophobicContact CD1-CG1 3.93Å; F1617-I1638 HydrophobicContact CD1-CG2 3.54Å; F1617-I1638 HydrophobicContact CE1-CD1 3.58Å; F1617-I1638 HydrophobicContact CE1-CG1 4.4Å; F1617-I1638 HydrophobicContact CE1-CG2 4.26Å; F1617-I1638 HydrophobicContact CG-CD1 4.12Å; F1617-I1638 HydrophobicContact CG-CG1 4.22Å; F1617-I1638 HydrophobicContact CG-CG2 4.31Å; F1617-I1638 HydrophobicContact CZ-CD1 4.09Å; Y1619-I1638 HydrophobicContact CD1-CG1 4.07Å; Y1619-I1638 HydrophobicContact CE1-CG1 4.02Å; I1638-I1641 HydrophobicContact CG2-CG1 4.47Å; I1638-P1776 HydrophobicContact CG2-CB 3.82Å; I1638-P1776 HydrophobicContact CG2-CG 4.39Å |
| 1639 | A | 91.2 | Very high | 90.2 | Very high | 26 Ų | 26 | 46.2 Ų | 46.2 | 22% | 0.215 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | -40.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | I1618 E1620 K1637 P1776 T1777 | I1618-A1639 PolarHBondContact O-N 3.24Å; E1620-A1639 HydrophobicContact CB-CB 4.48Å; K1637-A1639 PolarHBondContact O-N 2.71Å; A1639-P1776 WeakPolarHBondContact O-CA 3.47Å; A1639-T1777 PolarHBondContact O-N 2.89Å |
| 1640 | Y | 97.8 | Very high | 91.4 | Very high | 9 Ų | 9 | 44 Ų | 44 | 4% | 0.035 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 162.3 | -178.3 | -42.3 | -95.1 | 0 | 0 | 0 | 111.9 | I1618 T1777 V1779 I1792 D1795 L1796 | I1618-Y1640 HydrophobicContact CB-CD2 4.27Å; I1618-Y1640 HydrophobicContact CG2-CD2 4.26Å; I1618-Y1640 PolarHBondContact N-O 2.99Å; I1618-Y1640 PolarHBondContact O-N 2.82Å; Y1640-T1777 CarbonylContact C-O 3.57Å; Y1640-T1777 VanDerWaalsContact CA-O 3.26Å; Y1640-T1777 WeakPolarHBondContact CA-O 2.95Å; Y1640-T1777 WeakPolarHBondContact CB-O 2.98Å; Y1640-V1779 HydrophobicContact CD1-CG2 4.36Å; Y1640-I1792 HydrophobicContact CD1-CG1 4.01Å; Y1640-I1792 HydrophobicContact CD1-CG2 4.47Å; Y1640-I1792 HydrophobicContact CD2-CG1 4.48Å; Y1640-I1792 HydrophobicContact CD2-CG2 3.69Å; Y1640-I1792 HydrophobicContact CE1-CG1 4.47Å; Y1640-I1792 HydrophobicContact CE1-CG2 4.47Å; Y1640-I1792 HydrophobicContact CE2-CG2 3.7Å; Y1640-I1792 HydrophobicContact CG-CD1 4.15Å; Y1640-I1792 HydrophobicContact CG-CG1 4.04Å; Y1640-I1792 HydrophobicContact CG-CG2 4.12Å; Y1640-D1795 WeakPolarHBondContact CE1-OD2 3.46Å; Y1640-D1795 VanDerWaalsContact CZ-OD2 3.28Å; Y1640-D1795 PolarHBondContact OH-OD2 2.62Å; Y1640-L1796 HydrophobicContact CE2-CD2 4.33Å; Y1640-L1796 HydrophobicContact CE2-CG 4.42Å |
| 1641 | I | 98.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 124.2 | 161.8 | -68.9 | 167.4 | 0 | 0 | 0 | 107.4 | V1598 A1615 S1616 F1617 I1638 M1657 Q1661 I1663 P1776 T1777 L1778 V1779 | V1598-I1641 HydrophobicContact CG2-CD1 4.34Å; V1598-I1641 HydrophobicContact CG2-CG1 4.24Å; V1598-I1641 HydrophobicContact CG2-CG2 3.81Å; A1615-I1641 HydrophobicContact CB-CG2 3.95Å; S1616-I1641 WeakPolarHBondContact O-CA 3.48Å; F1617-I1641 HydrophobicContact CD1-CD1 4.16Å; F1617-I1641 HydrophobicContact CD1-CG1 3.77Å; F1617-I1641 HydrophobicContact CE1-CD1 3.93Å; F1617-I1641 HydrophobicContact CE1-CG1 4.07Å; I1638-I1641 HydrophobicContact CG2-CG1 4.47Å; I1641-M1657 HydrophobicContact CG2-CE 4.38Å; I1641-M1657 HydrophobicContact CG2-SD 4.07Å; I1641-Q1661 HydrophobicContact CD1-CB 3.6Å; I1641-Q1661 HydrophobicContact CD1-CG 3.75Å; I1641-I1663 HydrophobicContact CD1-CD1 3.61Å; I1641-I1663 HydrophobicContact CD1-CG1 4.14Å; I1641-P1776 HydrophobicContact CD1-CG 4.42Å; I1641-T1777 PolarHBondContact N-O 3.46Å; I1641-L1778 HydrophobicContact CB-CD1 3.81Å; I1641-L1778 HydrophobicContact CG2-CD1 3.48Å; I1641-L1778 VanDerWaalsContact CG2-CD1 3.48Å; I1641-V1779 PolarHBondContact O-N 3.23Å |
| 1642 | A | 98.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 115.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | A1615 S1616 I1618 V1779 T1788 M1824 | A1615-A1642 CarbonylContact C-O 3.53Å; A1615-A1642 VanDerWaalsContact CA-O 3.29Å; A1615-A1642 WeakPolarHBondContact CA-O 2.93Å; S1616-A1642 PolarHBondContact N-O 2.85Å; S1616-A1642 PolarHBondContact O-N 3.39Å; I1618-A1642 HydrophobicContact CD1-CB 3.89Å; I1618-A1642 HydrophobicContact CG1-CB 3.81Å; A1642-V1779 WeakPolarHBondContact CA-O 3.44Å; A1642-T1788 HydrophobicContact CB-CG2 3.78Å; A1642-M1824 HydrophobicContact CB-CE 4.01Å; A1642-M1824 HydrophobicContact CB-SD 4.4Å |
| 1643 | S | 97.8 | Very high | 92.6 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.007 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 152.5 | -176.1 | 179.5 | 0 | 0 | 0 | 0 | 111.9 | V1779 H1780 G1784 | S1643-V1779 PolarHBondContact N-O 3.49Å; S1643-H1780 WeakPolarHBondContact O-CA 3.45Å; S1643-H1780 WeakPolarHBondContact O-CB 3.22Å; S1643-G1784 WeakPolarHBondContact O-CA 3.28Å |
| 1644 | Q | 96 | Very high | 92.9 | Very high | 6 Ų | 6 | 36.8 Ų | 36.8 | 3% | 0.028 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -64.9 | 160.8 | 160 | 73.7 | 177.3 | 24 | 0 | 0 | 110.7 | L1584 N1614 | L1584-Q1644 PolarHBondContact O-NE2 3.09Å; N1614-Q1644 HydrophobicContact CB-CG 3.96Å; N1614-Q1644 PolarHBondContact ND2-OE1 2.97Å; N1614-Q1644 PolarHBondContact O-N 2.8Å |
| 1645 | A | 95.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.179 | C | C | . | . | P | Polyproline II helix | trans | -61.4 | 129.7 | 163.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | R1586 K1679 C1680 C1781 T1782 | R1586-A1645 PolarHBondContact NE-O 2.88Å; A1645-K1679 WeakPolarHBondContact CB-O 3.28Å; A1645-C1680 HydrophobicContact CB-CB 3.66Å; A1645-C1680 VanDerWaalsContact CB-SG 3.58Å; A1645-C1781 WeakPolarHBondContact CA-O 3.41Å; A1645-C1781 WeakPolarHBondContact CB-O 3.33Å; A1645-C1781 PolarHBondContact N-O 2.78Å; A1645-C1781 VanDerWaalsContact N-O 3.14Å; A1645-T1782 PolarHBondContact N-O 3.48Å |
| 1646 | P | 95.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.006 | 16% | 0.16 | C | C | . | . | P | Polyproline II helix | trans | -56.4 | 144.9 | 179.3 | 20.7 | -30.3 | 0 | 0 | 0 | 111.3 | R1586 V1651 F1654 C1681 Y1683 | R1586-P1646 PolarHBondContact NH2-O 3.24Å; P1646-V1651 HydrophobicContact CB-CG2 4.34Å; P1646-F1654 HydrophobicContact CB-CB 4.01Å; P1646-F1654 HydrophobicContact CB-CD2 4.15Å; P1646-F1654 HydrophobicContact CB-CG 4.02Å; P1646-F1654 HydrophobicContact CG-CD1 4.19Å; P1646-F1654 HydrophobicContact CG-CD2 4.14Å; P1646-F1654 HydrophobicContact CG-CE1 4.39Å; P1646-F1654 HydrophobicContact CG-CE2 4.34Å; P1646-F1654 HydrophobicContact CG-CG 4.05Å; P1646-F1654 HydrophobicContact CG-CZ 4.44Å; P1646-C1681 PolarHBondContact O-N 3.46Å; P1646-C1681 PolarHBondContact O-SG 2.77Å; P1646-Y1683 HydrophobicContact CG-CD1 3.4Å; P1646-Y1683 VanDerWaalsContact CG-CD1 3.4Å; P1646-Y1683 HydrophobicContact CG-CE1 4.01Å; P1646-Y1683 HydrophobicContact CG-CG 3.94Å |
| 1647 | L | 94.2 | Very high | 94 | Very high | 32 Ų | 32 | 25 Ų | 25 | 17% | 0.168 | 13% | 0.134 | C | C | . | . | P | Polyproline II helix | trans | -87.9 | 158.9 | 165.7 | -62.4 | 163.6 | 0 | 0 | 0 | 107.7 | R1586 S1649 T1650 V1651 C1681 | R1586-L1647 HydrophobicContact CB-CD2 4.13Å; R1586-L1647 HydrophobicContact CB-CG 4.46Å; R1586-L1647 HydrophobicContact CG-CD2 4.27Å; L1647-S1649 PolarHBondContact O-N 2.77Å; L1647-S1649 VanDerWaalsContact O-N 3.16Å; L1647-T1650 HydrophobicContact CB-CG2 4.19Å; L1647-T1650 HydrophobicContact CD1-CG2 4.22Å; L1647-T1650 PolarHBondContact N-OG1 2.88Å; L1647-T1650 CarbonylContact O-C 3.59Å; L1647-T1650 PolarHBondContact O-N 2.85Å; L1647-T1650 PolarHBondContact O-OG1 3.07Å; L1647-V1651 WeakPolarHBondContact O-CG2 3.29Å; L1647-V1651 PolarHBondContact O-N 2.93Å; L1647-V1651 VanDerWaalsContact O-N 3.12Å; L1647-C1681 VanDerWaalsContact C-SG 3.59Å |
| 1648 | E | 90.7 | Very high | 94.3 | Very high | 173 Ų | 173 | 20.8 Ų | 20.8 | 81% | 0.808 | 12% | 0.116 | S | C | * | . | G | 310 helix | trans | -52.1 | -40.1 | 174 | -71.9 | -178.9 | 167.8 | 0 | 0 | 111.9 | T1650 C1681 | E1648-T1650 VanDerWaalsContact C-N 3.27Å; E1648-T1650 PolarHBondContact O-N 2.86Å; E1648-C1681 HydrophobicContact CG-CB 4.1Å |
| 1649 | S | 91 | Very high | 94.2 | Very high | 83 Ų | 83 | 19.1 Ų | 19.1 | 58% | 0.58 | 11% | 0.107 | S | C | * | . | G | 310 helix | trans | -72.2 | -14.3 | 178.3 | 56 | 0 | 0 | 0 | 0 | 114.7 | L1647 | L1647-S1649 PolarHBondContact O-N 2.77Å; L1647-S1649 VanDerWaalsContact O-N 3.16Å |
| 1650 | T | 93.6 | Very high | 94.1 | Very high | 8 Ų | 8 | 19 Ų | 19 | 5% | 0.049 | 10% | 0.103 | C | C | . | . | G | 310 helix | trans | -118.3 | 8.1 | -175.8 | 73.3 | 0 | 0 | 0 | 0 | 113 | L1584 L1647 E1648 G1652 D1653 F1654 | L1584-T1650 HydrophobicContact CB-CG2 4.07Å; L1584-T1650 HydrophobicContact CD2-CG2 3.89Å; L1647-T1650 HydrophobicContact CB-CG2 4.19Å; L1647-T1650 HydrophobicContact CD1-CG2 4.22Å; L1647-T1650 PolarHBondContact N-OG1 2.88Å; L1647-T1650 CarbonylContact O-C 3.59Å; L1647-T1650 PolarHBondContact O-N 2.85Å; L1647-T1650 PolarHBondContact O-OG1 3.07Å; E1648-T1650 VanDerWaalsContact C-N 3.27Å; E1648-T1650 PolarHBondContact O-N 2.86Å; T1650-G1652 VanDerWaalsContact C-N 3.32Å; T1650-G1652 PolarHBondContact O-N 2.84Å; T1650-D1653 PolarHBondContact O-N 2.83Å; T1650-F1654 WeakPolarHBondContact O-CB 3.29Å; T1650-F1654 PolarHBondContact O-N 2.85Å |
| 1651 | V | 95.5 | Very high | 93.7 | Very high | 8 Ų | 8 | 20.4 Ų | 20.4 | 5% | 0.048 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.3 | -42.2 | 179.3 | 176.2 | 0 | 0 | 0 | 0 | 111.2 | P1646 L1647 D1653 F1654 W1655 C1681 F1694 | P1646-V1651 HydrophobicContact CB-CG2 4.34Å; L1647-V1651 WeakPolarHBondContact O-CG2 3.29Å; L1647-V1651 PolarHBondContact O-N 2.93Å; L1647-V1651 VanDerWaalsContact O-N 3.12Å; V1651-D1653 VanDerWaalsContact C-N 3.34Å; V1651-D1653 PolarHBondContact O-N 2.85Å; V1651-F1654 WeakPolarHBondContact O-CB 3.17Å; V1651-F1654 PolarHBondContact O-N 2.81Å; V1651-W1655 PolarHBondContact O-N 2.83Å; V1651-C1681 WeakPolarHBondContact CG2-SG 3.44Å; V1651-F1694 HydrophobicContact CB-CD1 4.11Å; V1651-F1694 HydrophobicContact CG1-CB 4.27Å; V1651-F1694 HydrophobicContact CG1-CD1 3.36Å; V1651-F1694 HydrophobicContact CG1-CD2 4.16Å; V1651-F1694 HydrophobicContact CG1-CE1 3.59Å; V1651-F1694 HydrophobicContact CG1-CE2 4.35Å; V1651-F1694 HydrophobicContact CG1-CG 3.66Å; V1651-F1694 HydrophobicContact CG1-CZ 4.09Å |
| 1652 | G | 92.8 | Very high | 93.3 | Very high | 4 Ų | 4 | 24.9 Ų | 24.9 | 4% | 0.041 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.6 | -44.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | T1650 F1654 W1655 R1656 Q1695 | T1650-G1652 VanDerWaalsContact C-N 3.32Å; T1650-G1652 PolarHBondContact O-N 2.84Å; G1652-F1654 VanDerWaalsContact C-N 3.3Å; G1652-F1654 PolarHBondContact O-N 2.98Å; G1652-W1655 PolarHBondContact O-N 2.85Å; G1652-R1656 VanDerWaalsContact O-CB 3.3Å; G1652-R1656 WeakPolarHBondContact O-CB 3.38Å; G1652-R1656 PolarHBondContact O-N 2.87Å; G1652-Q1695 WeakPolarHBondContact CA-O 3.31Å |
| 1653 | D | 92.7 | Very high | 93.1 | Very high | 22 Ų | 22 | 24.9 Ų | 24.9 | 12% | 0.118 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.4 | -36 | 177.9 | -63.5 | -27.2 | 0 | 0 | 0 | 111.8 | L1600 T1650 V1651 R1656 M1657 S1696 | L1600-D1653 HydrophobicContact CD1-CB 3.9Å; T1650-D1653 PolarHBondContact O-N 2.83Å; V1651-D1653 VanDerWaalsContact C-N 3.34Å; V1651-D1653 PolarHBondContact O-N 2.85Å; D1653-R1656 PolarHBondContact O-N 2.8Å; D1653-M1657 WeakPolarHBondContact O-CB 3.48Å; D1653-M1657 PolarHBondContact O-N 2.87Å; D1653-S1696 WeakPolarHBondContact OD1-CB 3.12Å; D1653-S1696 PolarHBondContact OD1-OG 2.6Å |
| 1654 | F | 95.4 | Very high | 92.9 | Very high | 2 Ų | 2 | 25.2 Ų | 25.2 | 1% | 0.009 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.4 | -44.8 | 175.9 | -174.4 | -95.7 | 0 | 0 | 0 | 111.9 | P1646 T1650 V1651 G1652 M1657 I1658 Y1683 L1778 | P1646-F1654 HydrophobicContact CB-CB 4.01Å; P1646-F1654 HydrophobicContact CB-CD2 4.15Å; P1646-F1654 HydrophobicContact CB-CG 4.02Å; P1646-F1654 HydrophobicContact CG-CD1 4.19Å; P1646-F1654 HydrophobicContact CG-CD2 4.14Å; P1646-F1654 HydrophobicContact CG-CE1 4.39Å; P1646-F1654 HydrophobicContact CG-CE2 4.34Å; P1646-F1654 HydrophobicContact CG-CG 4.05Å; P1646-F1654 HydrophobicContact CG-CZ 4.44Å; T1650-F1654 WeakPolarHBondContact O-CB 3.29Å; T1650-F1654 PolarHBondContact O-N 2.85Å; V1651-F1654 WeakPolarHBondContact O-CB 3.17Å; V1651-F1654 PolarHBondContact O-N 2.81Å; G1652-F1654 VanDerWaalsContact C-N 3.3Å; G1652-F1654 PolarHBondContact O-N 2.98Å; F1654-M1657 HydrophobicContact CD2-CE 3.88Å; F1654-M1657 HydrophobicContact CE2-CE 4.07Å; F1654-M1657 WeakPolarHBondContact O-CB 3.46Å; F1654-M1657 PolarHBondContact O-N 2.62Å; F1654-I1658 HydrophobicContact CD1-CD1 3.7Å; F1654-I1658 HydrophobicContact CE1-CD1 3.5Å; F1654-I1658 VanDerWaalsContact CE1-CD1 3.5Å; F1654-I1658 HydrophobicContact CZ-CD1 4.27Å; F1654-I1658 WeakPolarHBondContact O-CG1 3.38Å; F1654-I1658 PolarHBondContact O-N 3.07Å; F1654-I1658 VanDerWaalsContact O-N 3.09Å; F1654-Y1683 HydrophobicContact CD1-CD2 4.16Å; F1654-Y1683 HydrophobicContact CD1-CE2 4.38Å; F1654-Y1683 HydrophobicContact CD1-CG 4.44Å; F1654-Y1683 AromaticContact CE1-CD2 3.83Å; F1654-Y1683 HydrophobicContact CE1-CD2 3.83Å; F1654-Y1683 HydrophobicContact CE1-CE1 4.29Å; F1654-Y1683 AromaticContact CE1-CE2 3.61Å; F1654-Y1683 HydrophobicContact CE1-CE2 3.61Å; F1654-Y1683 HydrophobicContact CE1-CG 4.29Å; F1654-Y1683 AromaticContact CE1-CZ 3.84Å; F1654-Y1683 HydrophobicContact CZ-CE2 4.41Å; F1654-L1778 HydrophobicContact CE1-CD2 4.03Å; F1654-L1778 HydrophobicContact CE2-CD2 3.84Å; F1654-L1778 HydrophobicContact CZ-CD2 3.42Å; F1654-L1778 VanDerWaalsContact CZ-CD2 3.42Å; F1654-L1778 HydrophobicContact CZ-CG 4.44Å |
| 1655 | W | 94.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -70.4 | -36.3 | 174.7 | -76.3 | 123.4 | 0 | 0 | 0 | 113.2 | V1651 G1652 M1657 I1658 L1659 I1666 Y1683 F1694 L1701 V1703 L1719 I1721 | V1651-W1655 PolarHBondContact O-N 2.83Å; G1652-W1655 PolarHBondContact O-N 2.85Å; W1655-M1657 VanDerWaalsContact C-N 3.31Å; W1655-M1657 PolarHBondContact O-N 3.01Å; W1655-I1658 HydrophobicContact CD2-CD1 4.17Å; W1655-I1658 HydrophobicContact CE3-CB 4.08Å; W1655-I1658 HydrophobicContact CE3-CD1 3.3Å; W1655-I1658 HydrophobicContact CE3-CG1 4.28Å; W1655-I1658 HydrophobicContact CE3-CG2 4.03Å; W1655-I1658 HydrophobicContact CH2-CD1 4.44Å; W1655-I1658 HydrophobicContact CZ3-CD1 3.47Å; W1655-I1658 VanDerWaalsContact CZ3-CD1 3.47Å; W1655-I1658 HydrophobicContact CZ3-CG2 4.14Å; W1655-I1658 WeakPolarHBondContact O-CB 2.82Å; W1655-I1658 PolarHBondContact O-N 2.93Å; W1655-I1658 VanDerWaalsContact O-N 3.15Å; W1655-L1659 PolarHBondContact O-N 3.18Å; W1655-I1666 HydrophobicContact CH2-CD1 4.03Å; W1655-I1666 HydrophobicContact CZ3-CD1 3.92Å; W1655-Y1683 AromaticContact CE2-CD2 3.86Å; W1655-Y1683 HydrophobicContact CH2-CD2 4.16Å; W1655-Y1683 HydrophobicContact CH2-CE2 4.23Å; W1655-Y1683 AromaticContact CZ2-CD2 3.51Å; W1655-Y1683 HydrophobicContact CZ2-CD2 3.51Å; W1655-Y1683 HydrophobicContact CZ2-CE2 4.02Å; W1655-Y1683 WeakPolarHBondContact CZ2-O 3.4Å; W1655-Y1683 PolarHBondContact NE1-O 3.02Å; W1655-F1694 AromaticContact CD1-CD2 3.49Å; W1655-F1694 VanDerWaalsContact CD1-CD2 3.49Å; W1655-F1694 AromaticContact CD1-CE2 3.96Å; W1655-F1694 AromaticContact NE1-CD2 3.64Å; W1655-F1694 AromaticContact NE1-CE2 3.59Å; W1655-L1701 HydrophobicContact CB-CD1 3.67Å; W1655-V1703 HydrophobicContact CD2-CG2 3.88Å; W1655-V1703 HydrophobicContact CG-CG2 3.97Å; W1655-V1703 HydrophobicContact CH2-CG1 4.02Å; W1655-V1703 HydrophobicContact CZ2-CB 4.47Å; W1655-V1703 HydrophobicContact CZ2-CG1 3.61Å; W1655-V1703 HydrophobicContact CZ2-CG2 4.21Å; W1655-L1719 HydrophobicContact CH2-CD1 3.72Å; W1655-L1719 HydrophobicContact CZ2-CD1 4.36Å; W1655-I1721 HydrophobicContact CD2-CD1 4.1Å; W1655-I1721 HydrophobicContact CE3-CD1 3.12Å; W1655-I1721 HydrophobicContact CE3-CG1 3.94Å; W1655-I1721 HydrophobicContact CH2-CD1 4.35Å; W1655-I1721 HydrophobicContact CZ3-CD1 3.3Å; W1655-I1721 HydrophobicContact CZ3-CG1 3.97Å |
| 1656 | R | 90.7 | Very high | 93 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.008 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.9 | -43.5 | 172.3 | 179.3 | 176.9 | 166.6 | -161.7 | -7.6 | 110.7 | L1600 K1601 G1652 D1653 I1658 L1659 D1660 S1696 D1697 L1699 L1701 | L1600-R1656 HydrophobicContact CD2-CG 4.31Å; K1601-R1656 PolarHBondContact O-NH2 2.85Å; G1652-R1656 VanDerWaalsContact O-CB 3.3Å; G1652-R1656 WeakPolarHBondContact O-CB 3.38Å; G1652-R1656 PolarHBondContact O-N 2.87Å; D1653-R1656 PolarHBondContact O-N 2.8Å; R1656-I1658 VanDerWaalsContact C-N 3.3Å; R1656-I1658 PolarHBondContact O-N 2.83Å; R1656-L1659 PolarHBondContact O-N 3.11Å; R1656-D1660 IonicContact NE-OD2 3.41Å; R1656-D1660 VanDerWaalsContact O-CB 3.25Å; R1656-D1660 WeakPolarHBondContact O-CB 3.44Å; R1656-D1660 VanDerWaalsContact O-CG 3.24Å; R1656-D1660 PolarHBondContact O-N 3.48Å; R1656-S1696 WeakPolarHBondContact CD-OG 3.35Å; R1656-S1696 PolarHBondContact NH1-OG 3.03Å; R1656-D1697 IonicContact NH1-OD2 3.14Å; R1656-D1697 PolarHBondContact NH1-OD2 3.22Å; R1656-L1699 HydrophobicContact CB-CD2 4.49Å; R1656-L1699 HydrophobicContact CG-CD2 4.08Å; R1656-L1701 HydrophobicContact CB-CD1 3.98Å; R1656-L1701 VanDerWaalsContact N-CD1 3.29Å |
| 1657 | M | 93.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -57.3 | -43.2 | 173.1 | 178.7 | -176.9 | 67.2 | 0 | 0 | 111.7 | V1598 L1600 V1613 A1615 I1641 D1653 F1654 W1655 D1660 Q1661 L1778 | V1598-M1657 HydrophobicContact CB-SD 4.16Å; V1598-M1657 HydrophobicContact CG1-CG 3.76Å; V1598-M1657 HydrophobicContact CG1-SD 4.01Å; V1598-M1657 HydrophobicContact CG2-SD 4.27Å; L1600-M1657 HydrophobicContact CD2-CB 3.83Å; V1613-M1657 HydrophobicContact CG1-CG 4.44Å; V1613-M1657 HydrophobicContact CG1-SD 3.9Å; V1613-M1657 HydrophobicContact CG2-SD 4.31Å; A1615-M1657 HydrophobicContact CB-CE 4.31Å; A1615-M1657 HydrophobicContact CB-SD 3.49Å; A1615-M1657 WeakPolarHBondContact CB-SD 3.42Å; I1641-M1657 HydrophobicContact CG2-CE 4.38Å; I1641-M1657 HydrophobicContact CG2-SD 4.07Å; D1653-M1657 WeakPolarHBondContact O-CB 3.48Å; D1653-M1657 PolarHBondContact O-N 2.87Å; F1654-M1657 HydrophobicContact CD2-CE 3.88Å; F1654-M1657 HydrophobicContact CE2-CE 4.07Å; F1654-M1657 WeakPolarHBondContact O-CB 3.46Å; F1654-M1657 PolarHBondContact O-N 2.62Å; W1655-M1657 VanDerWaalsContact C-N 3.31Å; W1655-M1657 PolarHBondContact O-N 3.01Å; M1657-D1660 PolarHBondContact O-N 2.78Å; M1657-Q1661 HydrophobicContact CG-CG 4.18Å; M1657-Q1661 VanDerWaalsContact O-CB 3.29Å; M1657-Q1661 WeakPolarHBondContact O-CB 3.42Å; M1657-Q1661 VanDerWaalsContact O-CG 3.29Å; M1657-Q1661 WeakPolarHBondContact O-CG 3.08Å; M1657-Q1661 PolarHBondContact O-N 2.76Å; M1657-L1778 HydrophobicContact CE-CD1 3.68Å; M1657-L1778 HydrophobicContact CE-CD2 4.07Å |
| 1658 | I | 94.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.6 | -43.8 | 179.3 | -75.9 | 161 | 0 | 0 | 0 | 111.8 | F1654 W1655 R1656 N1662 I1663 I1666 I1721 V1737 L1778 | F1654-I1658 HydrophobicContact CD1-CD1 3.7Å; F1654-I1658 HydrophobicContact CE1-CD1 3.5Å; F1654-I1658 VanDerWaalsContact CE1-CD1 3.5Å; F1654-I1658 HydrophobicContact CZ-CD1 4.27Å; F1654-I1658 WeakPolarHBondContact O-CG1 3.38Å; F1654-I1658 PolarHBondContact O-N 3.07Å; F1654-I1658 VanDerWaalsContact O-N 3.09Å; W1655-I1658 HydrophobicContact CD2-CD1 4.17Å; W1655-I1658 HydrophobicContact CE3-CB 4.08Å; W1655-I1658 HydrophobicContact CE3-CD1 3.3Å; W1655-I1658 HydrophobicContact CE3-CG1 4.28Å; W1655-I1658 HydrophobicContact CE3-CG2 4.03Å; W1655-I1658 HydrophobicContact CH2-CD1 4.44Å; W1655-I1658 HydrophobicContact CZ3-CD1 3.47Å; W1655-I1658 VanDerWaalsContact CZ3-CD1 3.47Å; W1655-I1658 HydrophobicContact CZ3-CG2 4.14Å; W1655-I1658 WeakPolarHBondContact O-CB 2.82Å; W1655-I1658 PolarHBondContact O-N 2.93Å; W1655-I1658 VanDerWaalsContact O-N 3.15Å; R1656-I1658 VanDerWaalsContact C-N 3.3Å; R1656-I1658 PolarHBondContact O-N 2.83Å; I1658-N1662 PolarHBondContact O-N 3.46Å; I1658-I1663 HydrophobicContact CB-CB 4.36Å; I1658-I1663 HydrophobicContact CB-CD1 4.5Å; I1658-I1663 HydrophobicContact CG1-CB 4.32Å; I1658-I1663 HydrophobicContact CG1-CD1 3.98Å; I1658-I1663 HydrophobicContact CG1-CG2 4.42Å; I1658-I1663 HydrophobicContact CG2-CB 4.07Å; I1658-I1663 HydrophobicContact CG2-CG2 4.47Å; I1658-I1663 PolarHBondContact O-N 3.24Å; I1658-I1666 HydrophobicContact CD1-CD1 3.64Å; I1658-I1666 HydrophobicContact CD1-CG1 4.3Å; I1658-I1721 HydrophobicContact CG2-CD1 3.66Å; I1658-V1737 HydrophobicContact CG2-CG2 3.89Å; I1658-L1778 HydrophobicContact CD1-CD2 3.76Å; I1658-L1778 HydrophobicContact CG1-CD2 3.71Å |
| 1659 | L | 89.2 | Confident | 93.5 | Very high | 24 Ų | 24 | 15.1 Ų | 15.1 | 13% | 0.126 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -67 | -51.3 | 173.4 | -81.4 | 168 | 0 | 0 | 0 | 111.8 | W1655 R1656 Q1661 N1662 L1701 I1721 K1735 | W1655-L1659 PolarHBondContact O-N 3.18Å; R1656-L1659 PolarHBondContact O-N 3.11Å; L1659-Q1661 PolarHBondContact O-N 2.86Å; L1659-N1662 PolarHBondContact O-N 2.78Å; L1659-L1701 HydrophobicContact CD1-CD1 4.27Å; L1659-L1701 HydrophobicContact CD1-CD2 3.29Å; L1659-L1701 HydrophobicContact CD1-CG 4.39Å; L1659-I1721 HydrophobicContact CD1-CG2 3.61Å; L1659-I1721 HydrophobicContact CD2-CG2 4.21Å; L1659-I1721 HydrophobicContact CG-CG2 3.92Å; L1659-K1735 HydrophobicContact CD2-CB 4.05Å |
| 1660 | D | 88.4 | Confident | 93.5 | Very high | 25 Ų | 25 | 11.2 Ų | 11.2 | 13% | 0.134 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -56.6 | -39.6 | -176 | -80.5 | -13.5 | 0 | 0 | 0 | 112.2 | K1601 R1656 M1657 | K1601-D1660 HydrophobicContact CD-CB 4.17Å; K1601-D1660 WeakPolarHBondContact CD-OD1 3.33Å; K1601-D1660 WeakPolarHBondContact CE-O 3.32Å; K1601-D1660 HydrophobicContact CG-CB 4.1Å; K1601-D1660 PolarHBondContact N-OD2 2.78Å; K1601-D1660 PolarHBondContact NZ-O 3.29Å; R1656-D1660 IonicContact NE-OD2 3.41Å; R1656-D1660 VanDerWaalsContact O-CB 3.25Å; R1656-D1660 WeakPolarHBondContact O-CB 3.44Å; R1656-D1660 VanDerWaalsContact O-CG 3.24Å; R1656-D1660 PolarHBondContact O-N 3.48Å; M1657-D1660 PolarHBondContact O-N 2.78Å |
| 1661 | Q | 90.7 | Very high | 93.4 | Very high | 37 Ų | 37 | 14.9 Ų | 14.9 | 17% | 0.173 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 9.2 | -177.3 | -54.3 | -52.7 | -44.4 | 0 | 0 | 113.5 | V1598 F1617 I1641 M1657 L1659 I1663 P1776 | V1598-Q1661 HydrophobicContact CG1-CG 3.76Å; F1617-Q1661 HydrophobicContact CE1-CG 4.25Å; F1617-Q1661 VanDerWaalsContact CE1-OE1 3.31Å; F1617-Q1661 VanDerWaalsContact CZ-OE1 3.3Å; I1641-Q1661 HydrophobicContact CD1-CB 3.6Å; I1641-Q1661 HydrophobicContact CD1-CG 3.75Å; M1657-Q1661 HydrophobicContact CG-CG 4.18Å; M1657-Q1661 VanDerWaalsContact O-CB 3.29Å; M1657-Q1661 WeakPolarHBondContact O-CB 3.42Å; M1657-Q1661 VanDerWaalsContact O-CG 3.29Å; M1657-Q1661 WeakPolarHBondContact O-CG 3.08Å; M1657-Q1661 PolarHBondContact O-N 2.76Å; L1659-Q1661 PolarHBondContact O-N 2.86Å; Q1661-I1663 VanDerWaalsContact C-N 3.26Å; Q1661-I1663 HydrophobicContact CB-CD1 4.19Å; Q1661-I1663 HydrophobicContact CB-CG1 4.11Å; Q1661-I1663 PolarHBondContact O-N 3.39Å; Q1661-P1776 WeakPolarHBondContact O-CG 3.41Å |
| 1662 | N | 89.7 | Confident | 93.2 | Very high | 95 Ų | 95 | 16.2 Ų | 16.2 | 51% | 0.508 | 8% | 0.082 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 37.8 | 174.6 | -158.2 | 41.6 | 0 | 0 | 0 | 112.8 | I1658 L1659 K1735 S1775 | I1658-N1662 PolarHBondContact O-N 3.46Å; L1659-N1662 PolarHBondContact O-N 2.78Å; N1662-K1735 PolarHBondContact O-NZ 2.87Å; N1662-K1735 WeakPolarHBondContact OD1-CE 3.43Å; N1662-K1735 PolarHBondContact OD1-NZ 2.8Å; N1662-S1775 PolarHBondContact O-OG 3.01Å |
| 1663 | I | 92.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.108 | C | C | . | . | trans | -73.7 | 130.2 | -177.7 | -66.1 | 168.1 | 0 | 0 | 0 | 109.8 | I1641 I1658 Q1661 I1665 I1666 S1775 P1776 L1778 | I1641-I1663 HydrophobicContact CD1-CD1 3.61Å; I1641-I1663 HydrophobicContact CD1-CG1 4.14Å; I1658-I1663 HydrophobicContact CB-CB 4.36Å; I1658-I1663 HydrophobicContact CB-CD1 4.5Å; I1658-I1663 HydrophobicContact CG1-CB 4.32Å; I1658-I1663 HydrophobicContact CG1-CD1 3.98Å; I1658-I1663 HydrophobicContact CG1-CG2 4.42Å; I1658-I1663 HydrophobicContact CG2-CB 4.07Å; I1658-I1663 HydrophobicContact CG2-CG2 4.47Å; I1658-I1663 PolarHBondContact O-N 3.24Å; Q1661-I1663 VanDerWaalsContact C-N 3.26Å; Q1661-I1663 HydrophobicContact CB-CD1 4.19Å; Q1661-I1663 HydrophobicContact CB-CG1 4.11Å; Q1661-I1663 PolarHBondContact O-N 3.39Å; I1663-I1665 WeakPolarHBondContact CG2-O 3.49Å; I1663-I1666 HydrophobicContact CG2-CG1 4.4Å; I1663-S1775 WeakPolarHBondContact CA-OG 3.24Å; I1663-P1776 HydrophobicContact CG1-CG 4.37Å; I1663-L1778 HydrophobicContact CD1-CB 3.77Å; I1663-L1778 HydrophobicContact CD1-CD1 4.23Å; I1663-L1778 HydrophobicContact CD1-CD2 4.16Å; I1663-L1778 HydrophobicContact CD1-CG 4.29Å; I1663-L1778 HydrophobicContact CG1-CB 4.43Å; I1663-L1778 HydrophobicContact CG2-CB 3.7Å | ||
| 1664 | T | 93.4 | Very high | 92.7 | Very high | 8 Ų | 8 | 22.8 Ų | 22.8 | 5% | 0.049 | 11% | 0.106 | C | C | . | . | trans | -113.5 | -16.9 | 174.5 | 54.8 | 0 | 0 | 0 | 0 | 113.7 | K1735 V1737 V1738 Y1772 S1775 | T1664-K1735 HydrophobicContact CG2-CD 4.44Å; T1664-K1735 VanDerWaalsContact CG2-CE 3.43Å; T1664-V1737 CarbonylContact O-C 3.54Å; T1664-V1737 WeakPolarHBondContact O-CA 3.38Å; T1664-V1738 PolarHBondContact O-N 3.45Å; T1664-Y1772 WeakPolarHBondContact OG1-CD1 3.46Å; T1664-S1775 PolarHBondContact N-OG 2.74Å; T1664-S1775 WeakPolarHBondContact OG1-CB 3.47Å; T1664-S1775 PolarHBondContact OG1-OG 2.76Å | ||
| 1665 | I | 96.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 128 | 178.2 | -58.7 | 178.4 | 0 | 0 | 0 | 109.3 | I1663 V1667 V1738 F1740 Y1763 L1766 K1767 Y1772 T1777 L1778 | I1663-I1665 WeakPolarHBondContact CG2-O 3.49Å; I1665-V1667 HydrophobicContact CG2-CG2 4.15Å; I1665-V1738 CarbonylContact C-O 3.51Å; I1665-V1738 VanDerWaalsContact CA-O 3.31Å; I1665-V1738 WeakPolarHBondContact CA-O 3.34Å; I1665-F1740 HydrophobicContact CG2-CD2 4.09Å; I1665-F1740 HydrophobicContact CG2-CE2 4.37Å; I1665-Y1763 HydrophobicContact CD1-CE2 4.41Å; I1665-Y1763 HydrophobicContact CG2-CD2 4.2Å; I1665-Y1763 HydrophobicContact CG2-CE2 4.05Å; I1665-L1766 HydrophobicContact CD1-CD2 3.94Å; I1665-L1766 HydrophobicContact CD1-CG 4.35Å; I1665-L1766 HydrophobicContact CG1-CD2 4.28Å; I1665-K1767 HydrophobicContact CD1-CB 4.37Å; I1665-K1767 HydrophobicContact CD1-CD 3.94Å; I1665-Y1772 HydrophobicContact CD1-CD1 3.95Å; I1665-Y1772 HydrophobicContact CD1-CG 4.03Å; I1665-Y1772 HydrophobicContact CG1-CD1 3.7Å; I1665-Y1772 HydrophobicContact CG1-CE1 4.46Å; I1665-Y1772 HydrophobicContact CG1-CG 4.3Å; I1665-T1777 HydrophobicContact CB-CG2 4.34Å; I1665-T1777 HydrophobicContact CG2-CG2 4.09Å; I1665-L1778 PolarHBondContact O-N 2.89Å |
| 1666 | I | 97.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 132.5 | 168.4 | -51.3 | 172.7 | 0 | 0 | 0 | 108 | W1655 I1658 I1663 Y1683 V1737 V1738 Q1739 F1740 L1778 | W1655-I1666 HydrophobicContact CH2-CD1 4.03Å; W1655-I1666 HydrophobicContact CZ3-CD1 3.92Å; I1658-I1666 HydrophobicContact CD1-CD1 3.64Å; I1658-I1666 HydrophobicContact CD1-CG1 4.3Å; I1663-I1666 HydrophobicContact CG2-CG1 4.4Å; I1666-Y1683 HydrophobicContact CD1-CE2 4.24Å; I1666-V1737 HydrophobicContact CD1-CG1 3.65Å; I1666-V1737 HydrophobicContact CG1-CG1 3.64Å; I1666-V1738 PolarHBondContact N-O 2.86Å; I1666-Q1739 HydrophobicContact CB-CB 4.28Å; I1666-Q1739 HydrophobicContact CB-CG 4.14Å; I1666-Q1739 HydrophobicContact CG2-CG 4.28Å; I1666-Q1739 CarbonylContact O-C 3.54Å; I1666-Q1739 WeakPolarHBondContact O-CA 3.44Å; I1666-F1740 PolarHBondContact O-N 2.89Å; I1666-L1778 CarbonylContact C-O 3.47Å; I1666-L1778 WeakPolarHBondContact CA-O 3.44Å; I1666-L1778 HydrophobicContact CG1-CB 4.47Å; I1666-L1778 HydrophobicContact CG1-CD2 4.15Å; I1666-L1778 HydrophobicContact CG2-CD2 4.18Å; I1666-L1778 HydrophobicContact CG2-CG 4.41Å |
| 1667 | V | 97.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 106.7 | 170.6 | -176.4 | 0 | 0 | 0 | 0 | 107.6 | I1665 L1669 F1740 Y1763 T1777 L1778 V1779 H1780 F1791 | I1665-V1667 HydrophobicContact CG2-CG2 4.15Å; V1667-L1669 HydrophobicContact CG1-CD1 4.47Å; V1667-L1669 HydrophobicContact CG1-CD2 3.63Å; V1667-L1669 HydrophobicContact CG1-CG 3.93Å; V1667-F1740 CarbonylContact C-O 3.58Å; V1667-F1740 WeakPolarHBondContact CA-O 3.42Å; V1667-Y1763 HydrophobicContact CG2-CD2 4.13Å; V1667-Y1763 HydrophobicContact CG2-CE2 4.16Å; V1667-T1777 HydrophobicContact CG2-CG2 3.74Å; V1667-L1778 PolarHBondContact N-O 2.87Å; V1667-V1779 HydrophobicContact CB-CG1 4.23Å; V1667-V1779 HydrophobicContact CB-CG2 4.26Å; V1667-V1779 HydrophobicContact CG1-CG1 4.41Å; V1667-V1779 WeakPolarHBondContact O-CA 3.42Å; V1667-H1780 PolarHBondContact O-N 3Å; V1667-F1791 HydrophobicContact CB-CE1 4.49Å; V1667-F1791 HydrophobicContact CB-CZ 4.33Å; V1667-F1791 HydrophobicContact CG1-CD2 3.9Å; V1667-F1791 HydrophobicContact CG1-CE1 4.32Å; V1667-F1791 HydrophobicContact CG1-CE2 3.64Å; V1667-F1791 HydrophobicContact CG1-CG 4.36Å; V1667-F1791 HydrophobicContact CG1-CZ 3.89Å; V1667-F1791 HydrophobicContact CG2-CE1 4.09Å; V1667-F1791 HydrophobicContact CG2-CE2 4.35Å; V1667-F1791 HydrophobicContact CG2-CZ 3.78Å |
| 1668 | M | 97.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 114.9 | 177.2 | 177.8 | 169.2 | 178.8 | 0 | 0 | 109.2 | T1670 L1672 C1680 Y1683 W1684 Q1739 F1740 H1741 M1742 H1780 | M1668-T1670 HydrophobicContact CE-CG2 4.12Å; M1668-T1670 WeakPolarHBondContact CE-O 3.47Å; M1668-T1670 HydrophobicContact CG-CG2 4.45Å; M1668-L1672 HydrophobicContact CE-CD2 4.08Å; M1668-C1680 HydrophobicContact CE-CB 3.86Å; M1668-Y1683 HydrophobicContact SD-CE1 4Å; M1668-W1684 HydrophobicContact CE-CH2 3.75Å; M1668-W1684 HydrophobicContact CE-CZ3 4.01Å; M1668-W1684 HydrophobicContact SD-CH2 3.63Å; M1668-W1684 HydrophobicContact SD-CZ3 3.56Å; M1668-W1684 VanDerWaalsContact SD-CZ3 3.56Å; M1668-Q1739 PolarHBondContact SD-NE2 2.86Å; M1668-Q1739 VanDerWaalsContact SD-NE2 3.43Å; M1668-F1740 PolarHBondContact N-O 3.18Å; M1668-H1741 HydrophobicContact CB-CB 4.37Å; M1668-H1741 WeakPolarHBondContact CE-NE2 3.44Å; M1668-H1741 VanDerWaalsContact CG-CD2 3.46Å; M1668-H1741 WeakPolarHBondContact CG-CD2 3.39Å; M1668-H1741 CarbonylContact O-C 3.59Å; M1668-H1741 WeakPolarHBondContact O-CA 3.24Å; M1668-M1742 PolarHBondContact O-N 3.14Å; M1668-H1780 WeakPolarHBondContact CB-NE2 3.44Å; M1668-H1780 VanDerWaalsContact CG-CE1 3.49Å; M1668-H1780 WeakPolarHBondContact CG-CE1 3.43Å; M1668-H1780 WeakPolarHBondContact CG-NE2 3.3Å |
| 1669 | L | 95.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -108.3 | 21.5 | -172.5 | -58.7 | 169.9 | 0 | 0 | 0 | 113 | V1667 M1742 W1745 L1759 V1779 H1780 C1781 R1787 F1791 | V1667-L1669 HydrophobicContact CG1-CD1 4.47Å; V1667-L1669 HydrophobicContact CG1-CD2 3.63Å; V1667-L1669 HydrophobicContact CG1-CG 3.93Å; L1669-M1742 HydrophobicContact CD2-CB 4.21Å; L1669-M1742 HydrophobicContact CD2-SD 4.39Å; L1669-W1745 HydrophobicContact CB-CE3 4.24Å; L1669-W1745 HydrophobicContact CD1-CZ3 4.08Å; L1669-W1745 HydrophobicContact CD2-CE3 4.02Å; L1669-W1745 HydrophobicContact CD2-CZ3 4.03Å; L1669-W1745 HydrophobicContact CG-CZ3 4.46Å; L1669-L1759 HydrophobicContact CD2-CD2 4.38Å; L1669-V1779 HydrophobicContact CD1-CG1 3.71Å; L1669-V1779 HydrophobicContact CG-CG1 4.49Å; L1669-H1780 PolarHBondContact N-O 3.25Å; L1669-C1781 HydrophobicContact CB-CB 4.2Å; L1669-R1787 HydrophobicContact CB-CB 4Å; L1669-R1787 HydrophobicContact CD1-CB 4.14Å; L1669-R1787 WeakPolarHBondContact CD1-O 3.41Å; L1669-R1787 WeakPolarHBondContact O-CD 3.35Å; L1669-R1787 PolarHBondContact O-NH1 3.28Å; L1669-F1791 HydrophobicContact CD1-CB 3.61Å; L1669-F1791 HydrophobicContact CD1-CD2 4.42Å; L1669-F1791 HydrophobicContact CD1-CG 4.18Å; L1669-F1791 HydrophobicContact CD2-CD2 4.15Å | ||
| 1670 | T | 91.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -141 | 145.8 | -177.2 | -173 | 0 | 0 | 0 | 0 | 109.8 | M1668 E1674 K1679 C1680 H1741 | M1668-T1670 HydrophobicContact CE-CG2 4.12Å; M1668-T1670 WeakPolarHBondContact CE-O 3.47Å; M1668-T1670 HydrophobicContact CG-CG2 4.45Å; T1670-E1674 PolarHBondContact OG1-OE1 2.93Å; T1670-K1679 WeakPolarHBondContact OG1-CB 3.28Å; T1670-C1680 HydrophobicContact CG2-CB 4Å; T1670-H1741 PolarHBondContact O-NE2 2.84Å |
| 1671 | K | 91 | Very high | 91.2 | Very high | 86 Ų | 86 | 44.2 Ų | 44.2 | 37% | 0.374 | 22% | 0.224 | S | C | . | . | trans | -70.5 | 164.8 | 166 | -60.5 | 177.9 | -176.7 | 175.9 | 0 | 110 | Y1673 E1674 M1743 | K1671-Y1673 VanDerWaalsContact C-N 3.31Å; K1671-Y1673 VanDerWaalsContact CB-O 3.32Å; K1671-Y1673 WeakPolarHBondContact CB-O 3.28Å; K1671-E1674 HydrophobicContact CB-CG 3.86Å; K1671-E1674 HydrophobicContact CD-CG 4.34Å; K1671-E1674 HydrophobicContact CG-CG 4.37Å; K1671-E1674 PolarHBondContact N-OE1 2.85Å; K1671-M1743 WeakPolarHBondContact CE-O 3.29Å; K1671-M1743 HydrophobicContact CG-CE 4.28Å; K1671-M1743 HydrophobicContact CG-SD 4.14Å | ||
| 1672 | L | 91.8 | Very high | 91.4 | Very high | 36 Ų | 36 | 45.8 Ų | 45.8 | 19% | 0.188 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -61.4 | -44 | 169.2 | -65.5 | 177.4 | 0 | 0 | 0 | 111 | M1668 K1679 C1680 Q1682 W1684 | M1668-L1672 HydrophobicContact CE-CD2 4.08Å; L1672-K1679 PolarHBondContact O-N 3.36Å; L1672-C1680 HydrophobicContact CD2-CB 4.28Å; L1672-C1680 WeakPolarHBondContact CD2-O 3.42Å; L1672-C1680 PolarHBondContact O-N 2.97Å; L1672-Q1682 HydrophobicContact CD1-CB 4.04Å; L1672-Q1682 HydrophobicContact CD2-CB 4Å; L1672-W1684 HydrophobicContact CD2-CH2 3.73Å; L1672-W1684 HydrophobicContact CD2-CZ2 4.43Å; L1672-W1684 HydrophobicContact CD2-CZ3 4.35Å; L1672-W1684 HydrophobicContact CG-CH2 4.29Å |
| 1673 | Y | 90 | Very high | 91.7 | Very high | 149 Ų | 149 | 41.3 Ų | 41.3 | 58% | 0.584 | 21% | 0.208 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -128 | 136.1 | 177.8 | -61.8 | -88.6 | 0 | 0 | 0 | 110.3 | K1671 I1677 | K1671-Y1673 VanDerWaalsContact C-N 3.31Å; K1671-Y1673 VanDerWaalsContact CB-O 3.32Å; K1671-Y1673 WeakPolarHBondContact CB-O 3.28Å; Y1673-I1677 WeakPolarHBondContact CA-O 3.29Å |
| 1674 | E | 85.1 | Confident | 91.8 | Very high | 14 Ų | 14 | 41.7 Ų | 41.7 | 7% | 0.065 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 124.1 | 171.6 | -62.7 | 175.6 | 168.4 | 0 | 0 | 106.7 | T1670 K1671 N1676 I1677 K1679 D1747 R1787 | T1670-E1674 PolarHBondContact OG1-OE1 2.93Å; K1671-E1674 HydrophobicContact CB-CG 3.86Å; K1671-E1674 HydrophobicContact CD-CG 4.34Å; K1671-E1674 HydrophobicContact CG-CG 4.37Å; K1671-E1674 PolarHBondContact N-OE1 2.85Å; E1674-N1676 VanDerWaalsContact C-N 3.26Å; E1674-N1676 PolarHBondContact O-N 2.91Å; E1674-I1677 PolarHBondContact N-O 2.83Å; E1674-I1677 VanDerWaalsContact N-O 3.13Å; E1674-I1677 WeakPolarHBondContact O-CB 3.41Å; E1674-I1677 PolarHBondContact O-N 3.47Å; E1674-K1679 HydrophobicContact CB-CG 3.9Å; E1674-K1679 HydrophobicContact CG-CG 3.92Å; E1674-D1747 HydrophobicContact CB-CB 4.48Å; E1674-D1747 WeakPolarHBondContact OE2-CB 2.94Å; E1674-R1787 VanDerWaalsContact CD-NH2 3.28Å; E1674-R1787 IonicContact OE1-CZ 3.88Å; E1674-R1787 IonicContact OE1-NH1 3.17Å; E1674-R1787 PolarHBondContact OE1-NH1 2.8Å; E1674-R1787 IonicContact OE1-NH2 3.64Å; E1674-R1787 PolarHBondContact OE1-NH2 2.64Å; E1674-R1787 VanDerWaalsContact OE1-NH2 3.09Å; E1674-R1787 IonicContact OE2-CZ 2.7Å; E1674-R1787 IonicContact OE2-NH1 2.65Å; E1674-R1787 IonicContact OE2-NH2 3.99Å; E1674-R1787 PolarHBondContact OE2-NH2 3.08Å |
| 1675 | D | 83.6 | Confident | 91.9 | Very high | 149 Ų | 149 | 41.3 Ų | 41.3 | 80% | 0.797 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 44.2 | -174.3 | -56.8 | -32.5 | 0 | 0 | 0 | 113.7 | I1677 | D1675-I1677 PolarHBondContact O-N 3.36Å; D1675-I1677 VanDerWaalsContact O-N 3.1Å |
| 1676 | N | 83.8 | Confident | 91.6 | Very high | 162 Ų | 162 | 46.3 Ų | 46.3 | 87% | 0.866 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | 9.6 | -174.7 | -68.7 | -23.8 | 0 | 0 | 0 | 115.7 | E1674 | E1674-N1676 VanDerWaalsContact C-N 3.26Å; E1674-N1676 PolarHBondContact O-N 2.91Å |
| 1677 | I | 83.9 | Confident | 91.2 | Very high | 101 Ų | 101 | 51.6 Ų | 51.6 | 52% | 0.518 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 126.6 | 174.5 | -58.8 | 173.6 | 0 | 0 | 0 | 108.7 | Y1673 E1674 D1675 K1679 | Y1673-I1677 WeakPolarHBondContact CA-O 3.29Å; E1674-I1677 PolarHBondContact N-O 2.83Å; E1674-I1677 VanDerWaalsContact N-O 3.13Å; E1674-I1677 WeakPolarHBondContact O-CB 3.41Å; E1674-I1677 PolarHBondContact O-N 3.47Å; D1675-I1677 PolarHBondContact O-N 3.36Å; D1675-I1677 VanDerWaalsContact O-N 3.1Å; I1677-K1679 HydrophobicContact CG2-CD 4.36Å; I1677-K1679 PolarHBondContact O-N 2.69Å; I1677-K1679 VanDerWaalsContact O-N 3.14Å |
| 1678 | S | 88.5 | Confident | 90.9 | Very high | 56 Ų | 56 | 55.8 Ų | 55.8 | 39% | 0.392 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 113 | 173.5 | 178.8 | 0 | 0 | 0 | 0 | 110.2 | ||
| 1679 | K | 90.4 | Very high | 90.6 | Very high | 19 Ų | 19 | 62.4 Ų | 62.4 | 8% | 0.083 | 31% | 0.314 | C | S | . | . | trans | -97.6 | -31.6 | 177.2 | -60.4 | -58.8 | -170.9 | 170.9 | 0 | 112.1 | A1645 T1670 L1672 E1674 I1677 D1747 T1782 | A1645-K1679 WeakPolarHBondContact CB-O 3.28Å; T1670-K1679 WeakPolarHBondContact OG1-CB 3.28Å; L1672-K1679 PolarHBondContact O-N 3.36Å; E1674-K1679 HydrophobicContact CB-CG 3.9Å; E1674-K1679 HydrophobicContact CG-CG 3.92Å; I1677-K1679 HydrophobicContact CG2-CD 4.36Å; I1677-K1679 PolarHBondContact O-N 2.69Å; I1677-K1679 VanDerWaalsContact O-N 3.14Å; K1679-D1747 WeakPolarHBondContact CE-OD2 3.48Å; K1679-D1747 IonicContact NZ-OD2 3.83Å; K1679-D1747 PolarHBondContact NZ-OD2 2.59Å; K1679-T1782 HydrophobicContact CB-CG2 4.09Å; K1679-T1782 HydrophobicContact CD-CG2 3.87Å; K1679-T1782 WeakPolarHBondContact O-CG2 3.48Å | ||
| 1680 | C | 93.3 | Very high | 90.5 | Very high | 1 Ų | 1 | 65.3 Ų | 65.3 | 1% | 0.007 | 33% | 0.328 | C | S | . | . | trans | -148.6 | 141.1 | 179.4 | -169.8 | 0 | 0 | 0 | 0 | 109.3 | A1645 M1668 T1670 L1672 | A1645-C1680 HydrophobicContact CB-CB 3.66Å; A1645-C1680 VanDerWaalsContact CB-SG 3.58Å; M1668-C1680 HydrophobicContact CE-CB 3.86Å; T1670-C1680 HydrophobicContact CG2-CB 4Å; L1672-C1680 HydrophobicContact CD2-CB 4.28Å; L1672-C1680 WeakPolarHBondContact CD2-O 3.42Å; L1672-C1680 PolarHBondContact O-N 2.97Å | ||
| 1681 | C | 91.8 | Very high | 90.5 | Very high | 16 Ų | 16 | 67.5 Ų | 67.5 | 11% | 0.108 | 34% | 0.343 | C | S | . | . | trans | -77.5 | 151.1 | 163.4 | 71.1 | 0 | 0 | 0 | 0 | 108.8 | P1646 L1647 E1648 V1651 Y1683 | P1646-C1681 PolarHBondContact O-N 3.46Å; P1646-C1681 PolarHBondContact O-SG 2.77Å; L1647-C1681 VanDerWaalsContact C-SG 3.59Å; E1648-C1681 HydrophobicContact CG-CB 4.1Å; V1651-C1681 WeakPolarHBondContact CG2-SG 3.44Å; C1681-Y1683 PolarHBondContact O-N 2.82Å | ||
| 1682 | Q | 93.9 | Very high | 90.6 | Very high | 70 Ų | 70 | 66.2 Ų | 66.2 | 33% | 0.327 | 34% | 0.34 | S | S | . | . | trans | -70.3 | 130.5 | 169 | -177 | 169.5 | -23 | 0 | 0 | 108.3 | L1672 W1684 N1686 | L1672-Q1682 HydrophobicContact CD1-CB 4.04Å; L1672-Q1682 HydrophobicContact CD2-CB 4Å; Q1682-W1684 HydrophobicContact CG-CD2 3.82Å; Q1682-W1684 HydrophobicContact CG-CE3 4.17Å; Q1682-W1684 HydrophobicContact CG-CG 4.27Å; Q1682-W1684 HydrophobicContact CG-CH2 4.32Å; Q1682-W1684 HydrophobicContact CG-CZ2 3.96Å; Q1682-W1684 HydrophobicContact CG-CZ3 4.4Å; Q1682-W1684 WeakPolarHBondContact CG-O 3.27Å; Q1682-W1684 PolarHBondContact NE2-O 3.3Å; Q1682-N1686 PolarHBondContact NE2-OD1 2.86Å | ||
| 1683 | Y | 95.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 35% | 0.353 | C | S | . | . | trans | -120.4 | 12.7 | -178.1 | 58.2 | -95.1 | 0 | 0 | 0 | 112.1 | P1646 F1654 W1655 I1666 M1668 C1681 F1694 Q1739 H1780 | P1646-Y1683 HydrophobicContact CG-CD1 3.4Å; P1646-Y1683 VanDerWaalsContact CG-CD1 3.4Å; P1646-Y1683 HydrophobicContact CG-CE1 4.01Å; P1646-Y1683 HydrophobicContact CG-CG 3.94Å; F1654-Y1683 HydrophobicContact CD1-CD2 4.16Å; F1654-Y1683 HydrophobicContact CD1-CE2 4.38Å; F1654-Y1683 HydrophobicContact CD1-CG 4.44Å; F1654-Y1683 AromaticContact CE1-CD2 3.83Å; F1654-Y1683 HydrophobicContact CE1-CD2 3.83Å; F1654-Y1683 HydrophobicContact CE1-CE1 4.29Å; F1654-Y1683 AromaticContact CE1-CE2 3.61Å; F1654-Y1683 HydrophobicContact CE1-CE2 3.61Å; F1654-Y1683 HydrophobicContact CE1-CG 4.29Å; F1654-Y1683 AromaticContact CE1-CZ 3.84Å; F1654-Y1683 HydrophobicContact CZ-CE2 4.41Å; W1655-Y1683 AromaticContact CE2-CD2 3.86Å; W1655-Y1683 HydrophobicContact CH2-CD2 4.16Å; W1655-Y1683 HydrophobicContact CH2-CE2 4.23Å; W1655-Y1683 AromaticContact CZ2-CD2 3.51Å; W1655-Y1683 HydrophobicContact CZ2-CD2 3.51Å; W1655-Y1683 HydrophobicContact CZ2-CE2 4.02Å; W1655-Y1683 WeakPolarHBondContact CZ2-O 3.4Å; W1655-Y1683 PolarHBondContact NE1-O 3.02Å; I1666-Y1683 HydrophobicContact CD1-CE2 4.24Å; M1668-Y1683 HydrophobicContact SD-CE1 4Å; C1681-Y1683 PolarHBondContact O-N 2.82Å; Y1683-F1694 WeakPolarHBondContact O-CE2 3.18Å; Y1683-Q1739 VanDerWaalsContact CZ-NE2 3.34Å; Y1683-Q1739 PolarHBondContact OH-NE2 3.16Å; Y1683-H1780 AromaticContact CE1-CE1 3.82Å; Y1683-H1780 AromaticContact CE1-NE2 3.65Å; Y1683-H1780 AromaticContact CZ-NE2 3.64Å; Y1683-H1780 PolarHBondContact OH-NE2 3.04Å | ||
| 1684 | W | 95.7 | Very high | 90.6 | Very high | 9 Ų | 9 | 62.7 Ų | 62.7 | 3% | 0.034 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -131.8 | 158.5 | -179.9 | 62.6 | 91.3 | 0 | 0 | 0 | 110.7 | M1668 L1672 Q1682 R1717 L1719 | M1668-W1684 HydrophobicContact CE-CH2 3.75Å; M1668-W1684 HydrophobicContact CE-CZ3 4.01Å; M1668-W1684 HydrophobicContact SD-CH2 3.63Å; M1668-W1684 HydrophobicContact SD-CZ3 3.56Å; M1668-W1684 VanDerWaalsContact SD-CZ3 3.56Å; L1672-W1684 HydrophobicContact CD2-CH2 3.73Å; L1672-W1684 HydrophobicContact CD2-CZ2 4.43Å; L1672-W1684 HydrophobicContact CD2-CZ3 4.35Å; L1672-W1684 HydrophobicContact CG-CH2 4.29Å; Q1682-W1684 HydrophobicContact CG-CD2 3.82Å; Q1682-W1684 HydrophobicContact CG-CE3 4.17Å; Q1682-W1684 HydrophobicContact CG-CG 4.27Å; Q1682-W1684 HydrophobicContact CG-CH2 4.32Å; Q1682-W1684 HydrophobicContact CG-CZ2 3.96Å; Q1682-W1684 HydrophobicContact CG-CZ3 4.4Å; Q1682-W1684 WeakPolarHBondContact CG-O 3.27Å; Q1682-W1684 PolarHBondContact NE2-O 3.3Å; W1684-R1717 VanDerWaalsContact CE2-NH1 3.34Å; W1684-R1717 VanDerWaalsContact NE1-CZ 3.26Å; W1684-L1719 HydrophobicContact CB-CD1 4.39Å; W1684-L1719 HydrophobicContact CB-CD2 3.99Å |
| 1685 | P | 95.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 36% | 0.356 | C | S | . | . | trans | -64.4 | 157.1 | 176.8 | -18.8 | 32.2 | 0 | 0 | 0 | 113.6 | E1690 L1692 V1703 L1705 | P1685-E1690 HydrophobicContact CB-CB 3.83Å; P1685-E1690 HydrophobicContact CB-CG 4.02Å; P1685-E1690 WeakPolarHBondContact CB-O 3.21Å; P1685-E1690 VanDerWaalsContact CG-O 3.3Å; P1685-E1690 WeakPolarHBondContact CG-O 3.44Å; P1685-L1692 HydrophobicContact CB-CD1 4.24Å; P1685-L1692 HydrophobicContact CB-CG 4.11Å; P1685-L1692 HydrophobicContact CG-CB 4.21Å; P1685-L1692 HydrophobicContact CG-CD1 4.34Å; P1685-L1692 HydrophobicContact CG-CG 4.09Å; P1685-V1703 WeakPolarHBondContact CG-O 3.11Å; P1685-L1705 HydrophobicContact CB-CB 4.19Å; P1685-L1705 HydrophobicContact CG-CB 4.31Å | ||
| 1686 | N | 89.8 | Confident | 90.8 | Very high | 105 Ų | 105 | 60.7 Ų | 60.7 | 56% | 0.561 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -80.7 | -44.6 | 179.1 | -75.3 | -41.1 | 0 | 0 | 0 | 111.7 | Q1682 E1690 | Q1682-N1686 PolarHBondContact NE2-OD1 2.86Å; N1686-E1690 PolarHBondContact N-OE2 3.38Å |
| 1687 | D | 91 | Very high | 90.7 | Very high | 110 Ų | 110 | 55.7 Ų | 55.7 | 59% | 0.588 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -103.3 | 146 | -170.2 | -64.4 | -51.8 | 0 | 0 | 0 | 111.9 | H1689 E1690 | D1687-H1689 PolarHBondContact O-N 2.86Å; D1687-E1690 HydrophobicContact CB-CB 4.05Å; D1687-E1690 PolarHBondContact N-OE2 3.02Å; D1687-E1690 WeakPolarHBondContact O-CB 3.46Å; D1687-E1690 PolarHBondContact O-N 3.1Å |
| 1688 | I | 91.8 | Very high | 90.4 | Very high | 89 Ų | 89 | 57 Ų | 57 | 46% | 0.456 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 134 | 174.5 | -58.7 | 175.2 | 0 | 0 | 0 | 108.6 | E1690 L1705 L1706 | I1688-E1690 PolarHBondContact O-N 3.02Å; I1688-L1705 HydrophobicContact CG1-CD2 4.25Å; I1688-L1705 HydrophobicContact CG1-CG 4.43Å; I1688-L1706 WeakPolarHBondContact CG2-O 2.89Å |
| 1689 | H | 90.4 | Very high | 90.1 | Very high | 138 Ų | 138 | 55.1 Ų | 55.1 | 64% | 0.639 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.5 | 2.8 | -171.4 | -50.1 | -56.1 | 0 | 0 | 0 | 115.8 | D1687 L1705 | D1687-H1689 PolarHBondContact O-N 2.86Å; H1689-L1705 VanDerWaalsContact CA-O 3.25Å; H1689-L1705 WeakPolarHBondContact CA-O 2.95Å; H1689-L1705 PolarHBondContact N-O 3.26Å |
| 1690 | E | 92.5 | Very high | 89.9 | Confident | 62 Ų | 62 | 58.1 Ų | 58.1 | 29% | 0.29 | 29% | 0.289 | S | S | . | . | trans | -71.2 | 140 | 167 | -170.4 | -170.8 | -172.9 | 0 | 0 | 110 | P1685 N1686 D1687 I1688 T1704 L1705 | P1685-E1690 HydrophobicContact CB-CB 3.83Å; P1685-E1690 HydrophobicContact CB-CG 4.02Å; P1685-E1690 WeakPolarHBondContact CB-O 3.21Å; P1685-E1690 VanDerWaalsContact CG-O 3.3Å; P1685-E1690 WeakPolarHBondContact CG-O 3.44Å; N1686-E1690 PolarHBondContact N-OE2 3.38Å; D1687-E1690 HydrophobicContact CB-CB 4.05Å; D1687-E1690 PolarHBondContact N-OE2 3.02Å; D1687-E1690 WeakPolarHBondContact O-CB 3.46Å; D1687-E1690 PolarHBondContact O-N 3.1Å; I1688-E1690 PolarHBondContact O-N 3.02Å; E1690-T1704 VanDerWaalsContact O-CA 3.29Å; E1690-T1704 WeakPolarHBondContact O-CA 3.47Å; E1690-L1705 PolarHBondContact O-N 3.02Å | ||
| 1691 | S | 92.2 | Very high | 89.7 | Confident | 45 Ų | 45 | 58.1 Ų | 58.1 | 32% | 0.315 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 128.8 | 173.5 | -73.7 | 0 | 0 | 0 | 0 | 110.5 | E1702 V1703 T1704 | S1691-E1702 WeakPolarHBondContact CB-OE1 3.45Å; S1691-E1702 PolarHBondContact OG-OE1 3.29Å; S1691-V1703 CarbonylContact C-O 3.51Å; S1691-V1703 VanDerWaalsContact CA-O 3.32Å; S1691-V1703 WeakPolarHBondContact CA-O 3.41Å; S1691-T1704 PolarHBondContact OG-OG1 2.87Å |
| 1692 | L | 92.5 | Very high | 89.8 | Confident | 60 Ų | 60 | 60.2 Ų | 60.2 | 31% | 0.314 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 137.2 | 169.3 | -72.2 | 178.4 | 0 | 0 | 0 | 110.3 | P1685 F1694 E1702 V1703 | P1685-L1692 HydrophobicContact CB-CD1 4.24Å; P1685-L1692 HydrophobicContact CB-CG 4.11Å; P1685-L1692 HydrophobicContact CG-CB 4.21Å; P1685-L1692 HydrophobicContact CG-CD1 4.34Å; P1685-L1692 HydrophobicContact CG-CG 4.09Å; L1692-F1694 HydrophobicContact CB-CE1 4.42Å; L1692-F1694 HydrophobicContact CB-CE2 3.79Å; L1692-F1694 HydrophobicContact CB-CZ 3.66Å; L1692-F1694 HydrophobicContact CD1-CZ 3.96Å; L1692-F1694 HydrophobicContact CG-CZ 4.49Å; L1692-E1702 WeakPolarHBondContact O-CA 3.42Å; L1692-V1703 PolarHBondContact N-O 3.11Å; L1692-V1703 PolarHBondContact O-N 3.07Å |
| 1693 | T | 91.5 | Very high | 89.9 | Confident | 75 Ų | 75 | 56.9 Ų | 56.9 | 46% | 0.46 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 126.9 | 176 | -56.2 | 0 | 0 | 0 | 0 | 110.7 | K1700 L1701 I1724 | T1693-K1700 HydrophobicContact CG2-CB 4.16Å; T1693-K1700 HydrophobicContact CG2-CD 4.22Å; T1693-K1700 HydrophobicContact CG2-CG 4.36Å; T1693-L1701 CarbonylContact C-O 3.57Å; T1693-L1701 WeakPolarHBondContact CA-O 3.48Å; T1693-I1724 HydrophobicContact CG2-CD1 3.68Å |
| 1694 | F | 91.8 | Very high | 89.9 | Confident | 35 Ų | 35 | 57.8 Ų | 57.8 | 15% | 0.154 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 149.9 | 174.5 | -54.6 | -73.2 | 0 | 0 | 0 | 110.3 | V1651 W1655 Y1683 L1692 L1701 V1703 | V1651-F1694 HydrophobicContact CB-CD1 4.11Å; V1651-F1694 HydrophobicContact CG1-CB 4.27Å; V1651-F1694 HydrophobicContact CG1-CD1 3.36Å; V1651-F1694 HydrophobicContact CG1-CD2 4.16Å; V1651-F1694 HydrophobicContact CG1-CE1 3.59Å; V1651-F1694 HydrophobicContact CG1-CE2 4.35Å; V1651-F1694 HydrophobicContact CG1-CG 3.66Å; V1651-F1694 HydrophobicContact CG1-CZ 4.09Å; W1655-F1694 AromaticContact CD1-CD2 3.49Å; W1655-F1694 VanDerWaalsContact CD1-CD2 3.49Å; W1655-F1694 AromaticContact CD1-CE2 3.96Å; W1655-F1694 AromaticContact NE1-CD2 3.64Å; W1655-F1694 AromaticContact NE1-CE2 3.59Å; Y1683-F1694 WeakPolarHBondContact O-CE2 3.18Å; L1692-F1694 HydrophobicContact CB-CE1 4.42Å; L1692-F1694 HydrophobicContact CB-CE2 3.79Å; L1692-F1694 HydrophobicContact CB-CZ 3.66Å; L1692-F1694 HydrophobicContact CD1-CZ 3.96Å; L1692-F1694 HydrophobicContact CG-CZ 4.49Å; F1694-L1701 PolarHBondContact N-O 2.83Å; F1694-L1701 PolarHBondContact O-N 2.71Å; F1694-V1703 HydrophobicContact CD2-CB 4.31Å; F1694-V1703 HydrophobicContact CD2-CG2 3.71Å; F1694-V1703 HydrophobicContact CE2-CB 4.01Å; F1694-V1703 HydrophobicContact CE2-CG2 3.88Å |
| 1695 | Q | 86.2 | Confident | 89.9 | Confident | 120 Ų | 120 | 57.4 Ų | 57.4 | 56% | 0.561 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 131.2 | -176.1 | -174.1 | 165.2 | -21.6 | 0 | 0 | 111.2 | G1652 D1697 L1699 K1700 | G1652-Q1695 WeakPolarHBondContact CA-O 3.31Å; Q1695-D1697 WeakPolarHBondContact CG-O 3.33Å; Q1695-D1697 PolarHBondContact NE2-O 3.5Å; Q1695-L1699 WeakPolarHBondContact CA-O 3.11Å; Q1695-K1700 HydrophobicContact CG-CG 4.48Å |
| 1696 | S | 86.3 | Confident | 90 | Very high | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.007 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 108.7 | 168.9 | 175.1 | 0 | 0 | 0 | 0 | 108.1 | L1603 D1653 R1656 Y1698 L1699 | L1603-S1696 WeakPolarHBondContact CD1-O 3.1Å; D1653-S1696 WeakPolarHBondContact OD1-CB 3.12Å; D1653-S1696 PolarHBondContact OD1-OG 2.6Å; R1656-S1696 WeakPolarHBondContact CD-OG 3.35Å; R1656-S1696 PolarHBondContact NH1-OG 3.03Å; S1696-Y1698 PolarHBondContact O-N 2.91Å; S1696-L1699 PolarHBondContact N-O 3.28Å; S1696-L1699 WeakPolarHBondContact O-CB 2.76Å; S1696-L1699 PolarHBondContact O-N 2.88Å |
| 1697 | D | 80.9 | Confident | 90.2 | Very high | 58 Ų | 58 | 56.3 Ų | 56.3 | 31% | 0.31 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.9 | -108.6 | -169 | -63.8 | -43 | 0 | 0 | 0 | 112.4 | L1603 H1610 R1656 Q1695 | L1603-D1697 HydrophobicContact CD1-CB 4.03Å; H1610-D1697 WeakPolarHBondContact CB-OD2 3.45Å; H1610-D1697 IonicContact CG-OD1 3.69Å; H1610-D1697 IonicContact CG-OD2 2.93Å; H1610-D1697 IonicContact ND1-OD1 2.64Å; R1656-D1697 IonicContact NH1-OD2 3.14Å; R1656-D1697 PolarHBondContact NH1-OD2 3.22Å; Q1695-D1697 WeakPolarHBondContact CG-O 3.33Å; Q1695-D1697 PolarHBondContact NE2-O 3.5Å |
| 1698 | Y | 77.9 | Confident | 90.4 | Very high | 128 Ų | 128 | 55.2 Ų | 55.2 | 50% | 0.502 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | -9.9 | -178.9 | -54.7 | -76.2 | 0 | 0 | 0 | 113.4 | Q1604 S1696 | Q1604-Y1698 HydrophobicContact CG-CD2 4.44Å; S1696-Y1698 PolarHBondContact O-N 2.91Å |
| 1699 | L | 81.3 | Confident | 90.5 | Very high | 16 Ų | 16 | 55.3 Ų | 55.3 | 8% | 0.084 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 119.4 | -178.1 | -172 | 68 | 0 | 0 | 0 | 109.8 | L1603 R1656 Q1695 S1696 L1701 | L1603-L1699 HydrophobicContact CD1-CB 3.71Å; L1603-L1699 HydrophobicContact CD2-CB 3.94Å; L1603-L1699 HydrophobicContact CD2-CD1 4.41Å; L1603-L1699 HydrophobicContact CD2-CD2 4.12Å; L1603-L1699 HydrophobicContact CD2-CG 4.39Å; L1603-L1699 HydrophobicContact CG-CB 4.5Å; R1656-L1699 HydrophobicContact CB-CD2 4.49Å; R1656-L1699 HydrophobicContact CG-CD2 4.08Å; Q1695-L1699 WeakPolarHBondContact CA-O 3.11Å; S1696-L1699 PolarHBondContact N-O 3.28Å; S1696-L1699 WeakPolarHBondContact O-CB 2.76Å; S1696-L1699 PolarHBondContact O-N 2.88Å; L1699-L1701 HydrophobicContact CD1-CD2 4.49Å; L1699-L1701 HydrophobicContact CD2-CD1 4.26Å; L1699-L1701 HydrophobicContact CD2-CD2 3.73Å; L1699-L1701 HydrophobicContact CD2-CG 4.08Å; L1699-L1701 HydrophobicContact CG-CD2 3.86Å; L1699-L1701 HydrophobicContact CG-CG 4.11Å |
| 1700 | K | 86.9 | Confident | 90.5 | Very high | 83 Ų | 83 | 54.2 Ų | 54.2 | 36% | 0.361 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 130 | 166.1 | -73.1 | -170.8 | -179.7 | -177.1 | 0 | 109.5 | T1693 Q1695 I1724 N1725 | T1693-K1700 HydrophobicContact CG2-CB 4.16Å; T1693-K1700 HydrophobicContact CG2-CD 4.22Å; T1693-K1700 HydrophobicContact CG2-CG 4.36Å; Q1695-K1700 HydrophobicContact CG-CG 4.48Å; K1700-I1724 HydrophobicContact CB-CB 4.44Å; K1700-I1724 HydrophobicContact CB-CD1 3.88Å; K1700-I1724 HydrophobicContact CB-CG1 4.1Å; K1700-I1724 PolarHBondContact O-N 3.3Å; K1700-N1725 WeakPolarHBondContact CG-ND2 3.39Å |
| 1701 | L | 90.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 121.1 | -179.9 | -63.9 | 177 | 0 | 0 | 0 | 108.3 | W1655 R1656 L1659 T1693 F1694 L1699 T1722 | W1655-L1701 HydrophobicContact CB-CD1 3.67Å; R1656-L1701 HydrophobicContact CB-CD1 3.98Å; R1656-L1701 VanDerWaalsContact N-CD1 3.29Å; L1659-L1701 HydrophobicContact CD1-CD1 4.27Å; L1659-L1701 HydrophobicContact CD1-CD2 3.29Å; L1659-L1701 HydrophobicContact CD1-CG 4.39Å; T1693-L1701 CarbonylContact C-O 3.57Å; T1693-L1701 WeakPolarHBondContact CA-O 3.48Å; F1694-L1701 PolarHBondContact N-O 2.83Å; F1694-L1701 PolarHBondContact O-N 2.71Å; L1699-L1701 HydrophobicContact CD1-CD2 4.49Å; L1699-L1701 HydrophobicContact CD2-CD1 4.26Å; L1699-L1701 HydrophobicContact CD2-CD2 3.73Å; L1699-L1701 HydrophobicContact CD2-CG 4.08Å; L1699-L1701 HydrophobicContact CG-CD2 3.86Å; L1699-L1701 HydrophobicContact CG-CG 4.11Å; L1701-T1722 WeakPolarHBondContact CA-O 3.43Å |
| 1702 | E | 92.5 | Very high | 89.7 | Confident | 61 Ų | 61 | 61.1 Ų | 61.1 | 29% | 0.285 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 131.7 | 171 | -177 | 176.7 | -139.6 | 0 | 0 | 108.8 | S1691 L1692 I1721 T1722 I1724 | S1691-E1702 WeakPolarHBondContact CB-OE1 3.45Å; S1691-E1702 PolarHBondContact OG-OE1 3.29Å; L1692-E1702 WeakPolarHBondContact O-CA 3.42Å; E1702-I1721 CarbonylContact O-C 3.46Å; E1702-I1721 VanDerWaalsContact O-CA 3.26Å; E1702-I1721 WeakPolarHBondContact O-CA 3.45Å; E1702-T1722 HydrophobicContact CB-CG2 3.82Å; E1702-T1722 HydrophobicContact CG-CG2 4.44Å; E1702-T1722 PolarHBondContact N-O 2.81Å; E1702-T1722 PolarHBondContact O-N 3.04Å; E1702-I1724 HydrophobicContact CB-CD1 3.85Å; E1702-I1724 HydrophobicContact CB-CG1 3.95Å |
| 1703 | V | 95.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 119 | 179.5 | -176.1 | 0 | 0 | 0 | 0 | 108.2 | W1655 P1685 S1691 L1692 F1694 L1719 Y1720 I1721 | W1655-V1703 HydrophobicContact CD2-CG2 3.88Å; W1655-V1703 HydrophobicContact CG-CG2 3.97Å; W1655-V1703 HydrophobicContact CH2-CG1 4.02Å; W1655-V1703 HydrophobicContact CZ2-CB 4.47Å; W1655-V1703 HydrophobicContact CZ2-CG1 3.61Å; W1655-V1703 HydrophobicContact CZ2-CG2 4.21Å; P1685-V1703 WeakPolarHBondContact CG-O 3.11Å; S1691-V1703 CarbonylContact C-O 3.51Å; S1691-V1703 VanDerWaalsContact CA-O 3.32Å; S1691-V1703 WeakPolarHBondContact CA-O 3.41Å; L1692-V1703 PolarHBondContact N-O 3.11Å; L1692-V1703 PolarHBondContact O-N 3.07Å; F1694-V1703 HydrophobicContact CD2-CB 4.31Å; F1694-V1703 HydrophobicContact CD2-CG2 3.71Å; F1694-V1703 HydrophobicContact CE2-CB 4.01Å; F1694-V1703 HydrophobicContact CE2-CG2 3.88Å; V1703-L1719 HydrophobicContact CG1-CB 4.49Å; V1703-L1719 HydrophobicContact CG1-CD2 4.38Å; V1703-Y1720 CarbonylContact C-O 3.48Å; V1703-Y1720 WeakPolarHBondContact CA-O 3.38Å; V1703-I1721 HydrophobicContact CG1-CG1 4.34Å; V1703-I1721 HydrophobicContact CG2-CG1 4.14Å; V1703-I1721 HydrophobicContact CG2-CG2 4.45Å |
| 1704 | T | 95.3 | Very high | 89.6 | Confident | 19 Ų | 19 | 56 Ų | 56 | 12% | 0.117 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 133.4 | -178.9 | -46.4 | 0 | 0 | 0 | 0 | 110.4 | E1690 S1691 L1706 L1719 Y1720 | E1690-T1704 VanDerWaalsContact O-CA 3.29Å; E1690-T1704 WeakPolarHBondContact O-CA 3.47Å; S1691-T1704 PolarHBondContact OG-OG1 2.87Å; T1704-L1706 HydrophobicContact CG2-CD2 4.19Å; T1704-L1719 CarbonylContact O-C 3.57Å; T1704-L1719 VanDerWaalsContact O-CA 3.28Å; T1704-L1719 WeakPolarHBondContact O-CA 3.31Å; T1704-Y1720 PolarHBondContact N-O 2.83Å; T1704-Y1720 PolarHBondContact O-N 3.49Å |
| 1705 | L | 96.8 | Very high | 89.7 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 125.8 | 168.6 | -178.4 | 61 | 0 | 0 | 0 | 109.6 | P1685 I1688 H1689 E1690 R1717 L1719 | P1685-L1705 HydrophobicContact CB-CB 4.19Å; P1685-L1705 HydrophobicContact CG-CB 4.31Å; I1688-L1705 HydrophobicContact CG1-CD2 4.25Å; I1688-L1705 HydrophobicContact CG1-CG 4.43Å; H1689-L1705 VanDerWaalsContact CA-O 3.25Å; H1689-L1705 WeakPolarHBondContact CA-O 2.95Å; H1689-L1705 PolarHBondContact N-O 3.26Å; E1690-L1705 PolarHBondContact O-N 3.02Å; L1705-R1717 HydrophobicContact CD1-CB 3.9Å; L1705-R1717 HydrophobicContact CD1-CG 4.11Å; L1705-L1719 HydrophobicContact CB-CD2 4.27Å; L1705-L1719 HydrophobicContact CD1-CD2 3.67Å |
| 1706 | L | 96 | Very high | 90.2 | Very high | 50 Ų | 50 | 51 Ų | 51 | 26% | 0.262 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | -37 | -178.2 | -63.4 | -177.4 | 0 | 0 | 0 | 113.3 | I1688 T1704 K1718 Y1736 | I1688-L1706 WeakPolarHBondContact CG2-O 2.89Å; T1704-L1706 HydrophobicContact CG2-CD2 4.19Å; L1706-K1718 HydrophobicContact CB-CB 4.13Å; L1706-K1718 WeakPolarHBondContact CB-O 3.29Å; L1706-K1718 PolarHBondContact N-O 2.93Å; L1706-Y1736 HydrophobicContact CD1-CD1 3.62Å; L1706-Y1736 HydrophobicContact CD1-CE1 3.39Å |
| 1707 | S | 95.6 | Very high | 90.7 | Very high | 32 Ų | 32 | 51.6 Ų | 51.6 | 22% | 0.224 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 152.3 | 173.2 | 70.2 | 0 | 0 | 0 | 0 | 110.2 | R1717 K1718 | S1707-R1717 CarbonylContact O-C 3.27Å; S1707-R1717 VanDerWaalsContact O-CA 3.28Å; S1707-R1717 WeakPolarHBondContact O-CA 3.39Å; S1707-K1718 PolarHBondContact N-O 3.19Å; S1707-K1718 PolarHBondContact O-N 2.83Å |
| 1708 | E | 95.1 | Very high | 91.5 | Very high | 86 Ų | 86 | 53.4 Ų | 53.4 | 40% | 0.402 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 128.2 | 171.7 | -176.6 | 174 | 94.8 | 0 | 0 | 108.4 | I1715 L1716 R1717 | E1708-I1715 HydrophobicContact CG-CG2 3.48Å; E1708-I1715 VanDerWaalsContact CG-CG2 3.48Å; E1708-L1716 CarbonylContact C-O 3.58Å; E1708-L1716 WeakPolarHBondContact CA-O 3.5Å; E1708-R1717 HydrophobicContact CB-CG 4.39Å; E1708-R1717 HydrophobicContact CG-CG 4.09Å; E1708-R1717 IonicContact OE2-CZ 3.19Å; E1708-R1717 IonicContact OE2-NE 3.13Å; E1708-R1717 PolarHBondContact OE2-NE 3.45Å; E1708-R1717 IonicContact OE2-NH2 4Å; E1708-R1717 PolarHBondContact OE2-NH2 2.98Å |
| 1709 | E | 93.6 | Very high | 92.4 | Very high | 91 Ų | 91 | 47.3 Ų | 47.3 | 43% | 0.425 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 125.8 | 177.4 | -59.3 | 170.7 | -158.8 | 0 | 0 | 109.3 | H1711 I1715 L1716 | E1709-H1711 IonicContact OE2-CE1 2.77Å; E1709-H1711 IonicContact OE2-NE2 3.81Å; E1709-H1711 PolarHBondContact OE2-NE2 3.1Å; E1709-I1715 CarbonylContact O-C 3.59Å; E1709-I1715 WeakPolarHBondContact O-CA 3.31Å; E1709-L1716 HydrophobicContact CB-CB 4.27Å; E1709-L1716 PolarHBondContact N-O 2.8Å; E1709-L1716 PolarHBondContact O-N 2.84Å |
| 1710 | D | 90.8 | Very high | 93 | Very high | 116 Ų | 116 | 49.5 Ų | 49.5 | 62% | 0.62 | 24% | 0.237 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 111.8 | 175.9 | -171.7 | -14.4 | 0 | 0 | 0 | 110.4 | H1712 | D1710-H1712 WeakPolarHBondContact OD1-CA 3.3Å; D1710-H1712 PolarHBondContact OD1-N 2.91Å |
| 1711 | H | 86.6 | Confident | 93.2 | Very high | 75 Ų | 75 | 45.5 Ų | 45.5 | 35% | 0.347 | 22% | 0.219 | S | C | . | . | trans | -100 | 27 | -180 | -71 | -96.6 | 0 | 0 | 0 | 112.2 | E1709 I1713 Y1714 | E1709-H1711 IonicContact OE2-CE1 2.77Å; E1709-H1711 IonicContact OE2-NE2 3.81Å; E1709-H1711 PolarHBondContact OE2-NE2 3.1Å; H1711-I1713 WeakPolarHBondContact O-CG1 3.3Å; H1711-I1713 PolarHBondContact O-N 3.26Å; H1711-Y1714 WeakPolarHBondContact CA-O 3.46Å; H1711-Y1714 HydrophobicContact CB-CD1 4.49Å; H1711-Y1714 HydrophobicContact CB-CD2 4.14Å; H1711-Y1714 HydrophobicContact CB-CE1 4.13Å; H1711-Y1714 HydrophobicContact CB-CE2 3.73Å; H1711-Y1714 HydrophobicContact CB-CG 4.48Å; H1711-Y1714 WeakPolarHBondContact CB-O 2.85Å; H1711-Y1714 AromaticContact CD2-CE2 3.73Å; H1711-Y1714 AromaticContact CG-CE2 3.75Å; H1711-Y1714 AromaticContact CG-CZ 3.82Å; H1711-Y1714 PolarHBondContact N-O 2.96Å | ||
| 1712 | H | 80.7 | Confident | 93.1 | Very high | 177 Ų | 177 | 47.1 Ų | 47.1 | 82% | 0.819 | 23% | 0.229 | S | C | * | . | S | Bend | trans | 66.2 | -48.5 | -177.6 | -98.1 | 53.4 | 0 | 0 | 0 | 115.6 | D1710 | D1710-H1712 WeakPolarHBondContact OD1-CA 3.3Å; D1710-H1712 PolarHBondContact OD1-N 2.91Å |
| 1713 | I | 88.2 | Confident | 92.7 | Very high | 20 Ų | 20 | 44.9 Ų | 44.9 | 10% | 0.103 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -94.5 | -29 | -177.5 | 52.3 | 156.8 | 0 | 0 | 0 | 112.5 | H1711 M1743 E1755 T1758 L1759 | H1711-I1713 WeakPolarHBondContact O-CG1 3.3Å; H1711-I1713 PolarHBondContact O-N 3.26Å; I1713-M1743 PolarHBondContact O-N 3.22Å; I1713-E1755 HydrophobicContact CB-CB 4.47Å; I1713-E1755 WeakPolarHBondContact CD1-O 3.16Å; I1713-E1755 HydrophobicContact CG2-CB 3.78Å; I1713-E1755 HydrophobicContact CG2-CG 3.71Å; I1713-T1758 HydrophobicContact CD1-CG2 3.73Å; I1713-L1759 HydrophobicContact CD1-CB 4.17Å |
| 1714 | Y | 93.4 | Very high | 91.9 | Very high | 6 Ų | 6 | 48.6 Ų | 48.6 | 2% | 0.024 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 156.8 | 175.6 | 67 | -99.8 | 0 | 0 | 0 | 110.1 | H1711 L1716 F1740 H1741 L1759 D1762 | H1711-Y1714 WeakPolarHBondContact CA-O 3.46Å; H1711-Y1714 HydrophobicContact CB-CD1 4.49Å; H1711-Y1714 HydrophobicContact CB-CD2 4.14Å; H1711-Y1714 HydrophobicContact CB-CE1 4.13Å; H1711-Y1714 HydrophobicContact CB-CE2 3.73Å; H1711-Y1714 HydrophobicContact CB-CG 4.48Å; H1711-Y1714 WeakPolarHBondContact CB-O 2.85Å; H1711-Y1714 AromaticContact CD2-CE2 3.73Å; H1711-Y1714 AromaticContact CG-CE2 3.75Å; H1711-Y1714 AromaticContact CG-CZ 3.82Å; H1711-Y1714 PolarHBondContact N-O 2.96Å; Y1714-L1716 HydrophobicContact CD2-CB 4.43Å; Y1714-L1716 HydrophobicContact CE2-CB 4.1Å; Y1714-L1716 HydrophobicContact CE2-CD1 4.31Å; Y1714-F1740 HydrophobicContact CD1-CD1 4.43Å; Y1714-F1740 AromaticContact CD2-CD1 3.58Å; Y1714-F1740 HydrophobicContact CD2-CD1 3.58Å; Y1714-F1740 HydrophobicContact CD2-CE1 4.16Å; Y1714-F1740 HydrophobicContact CE1-CD1 4.35Å; Y1714-F1740 HydrophobicContact CE1-CE1 4.36Å; Y1714-F1740 AromaticContact CE2-CD1 3.49Å; Y1714-F1740 HydrophobicContact CE2-CD1 3.49Å; Y1714-F1740 VanDerWaalsContact CE2-CD1 3.49Å; Y1714-F1740 AromaticContact CE2-CE1 3.57Å; Y1714-F1740 HydrophobicContact CE2-CE1 3.57Å; Y1714-F1740 HydrophobicContact CG-CD1 4.1Å; Y1714-F1740 AromaticContact CZ-CD1 3.91Å; Y1714-F1740 AromaticContact CZ-CE1 3.7Å; Y1714-H1741 CarbonylContact C-O 3.54Å; Y1714-H1741 WeakPolarHBondContact CA-O 3.26Å; Y1714-H1741 WeakPolarHBondContact CB-O 3.15Å; Y1714-L1759 HydrophobicContact CD1-CB 4.14Å; Y1714-L1759 HydrophobicContact CD1-CD1 3.45Å; Y1714-L1759 VanDerWaalsContact CD1-CD1 3.45Å; Y1714-L1759 HydrophobicContact CD1-CG 4.4Å; Y1714-L1759 HydrophobicContact CE1-CB 4.5Å; Y1714-L1759 HydrophobicContact CE1-CD1 3.98Å; Y1714-L1759 HydrophobicContact CG-CD1 3.83Å; Y1714-D1762 HydrophobicContact CE1-CB 4.37Å; Y1714-D1762 VanDerWaalsContact OH-CB 3.23Å; Y1714-D1762 WeakPolarHBondContact OH-CB 3.34Å; Y1714-D1762 PolarHBondContact OH-OD2 3.39Å |
| 1715 | I | 95 | Very high | 90.7 | Very high | 24 Ų | 24 | 52 Ų | 52 | 12% | 0.123 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 131.3 | 170.8 | -59 | 169.8 | 0 | 0 | 0 | 107.7 | E1708 E1709 R1717 H1741 M1743 | E1708-I1715 HydrophobicContact CG-CG2 3.48Å; E1708-I1715 VanDerWaalsContact CG-CG2 3.48Å; E1709-I1715 CarbonylContact O-C 3.59Å; E1709-I1715 WeakPolarHBondContact O-CA 3.31Å; I1715-R1717 HydrophobicContact CG2-CG 4.27Å; I1715-H1741 HydrophobicContact CB-CB 4.37Å; I1715-H1741 PolarHBondContact N-O 3.06Å; I1715-H1741 PolarHBondContact O-N 2.88Å; I1715-M1743 HydrophobicContact CD1-CG 4.12Å; I1715-M1743 HydrophobicContact CG1-CG 4.4Å |
| 1716 | L | 96.3 | Very high | 88.9 | Confident | 27 Ų | 27 | 58.5 Ų | 58.5 | 14% | 0.141 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 119.3 | 176.1 | -166.7 | 73.1 | 0 | 0 | 0 | 109.6 | E1708 E1709 Y1714 V1738 Q1739 F1740 | E1708-L1716 CarbonylContact C-O 3.58Å; E1708-L1716 WeakPolarHBondContact CA-O 3.5Å; E1709-L1716 HydrophobicContact CB-CB 4.27Å; E1709-L1716 PolarHBondContact N-O 2.8Å; E1709-L1716 PolarHBondContact O-N 2.84Å; Y1714-L1716 HydrophobicContact CD2-CB 4.43Å; Y1714-L1716 HydrophobicContact CE2-CB 4.1Å; Y1714-L1716 HydrophobicContact CE2-CD1 4.31Å; L1716-V1738 HydrophobicContact CD1-CG1 3.42Å; L1716-V1738 VanDerWaalsContact CD1-CG1 3.42Å; L1716-V1738 HydrophobicContact CG-CG1 3.95Å; L1716-Q1739 CarbonylContact C-O 3.59Å; L1716-Q1739 WeakPolarHBondContact CA-O 3.49Å; L1716-F1740 HydrophobicContact CD1-CD1 3.72Å; L1716-F1740 HydrophobicContact CD1-CD2 3.73Å; L1716-F1740 HydrophobicContact CD1-CE1 3.56Å; L1716-F1740 HydrophobicContact CD1-CE2 3.57Å; L1716-F1740 HydrophobicContact CD1-CG 3.81Å; L1716-F1740 HydrophobicContact CD1-CZ 3.48Å; L1716-F1740 VanDerWaalsContact CD1-CZ 3.48Å |
| 1717 | R | 97.2 | Very high | 86.6 | Confident | 14 Ų | 14 | 65.9 Ų | 65.9 | 5% | 0.053 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 138 | 174.1 | -59.2 | -173 | -179 | 90.4 | 10.7 | 111.4 | W1684 L1705 S1707 E1708 I1715 L1719 V1738 Q1739 H1741 | W1684-R1717 VanDerWaalsContact CE2-NH1 3.34Å; W1684-R1717 VanDerWaalsContact NE1-CZ 3.26Å; L1705-R1717 HydrophobicContact CD1-CB 3.9Å; L1705-R1717 HydrophobicContact CD1-CG 4.11Å; S1707-R1717 CarbonylContact O-C 3.27Å; S1707-R1717 VanDerWaalsContact O-CA 3.28Å; S1707-R1717 WeakPolarHBondContact O-CA 3.39Å; E1708-R1717 HydrophobicContact CB-CG 4.39Å; E1708-R1717 HydrophobicContact CG-CG 4.09Å; E1708-R1717 IonicContact OE2-CZ 3.19Å; E1708-R1717 IonicContact OE2-NE 3.13Å; E1708-R1717 PolarHBondContact OE2-NE 3.45Å; E1708-R1717 IonicContact OE2-NH2 4Å; E1708-R1717 PolarHBondContact OE2-NH2 2.98Å; I1715-R1717 HydrophobicContact CG2-CG 4.27Å; R1717-L1719 HydrophobicContact CB-CG 4.3Å; R1717-V1738 CarbonylContact O-C 3.38Å; R1717-V1738 WeakPolarHBondContact O-CA 3.47Å; R1717-Q1739 HydrophobicContact CB-CB 4.26Å; R1717-Q1739 PolarHBondContact N-O 2.88Å; R1717-Q1739 PolarHBondContact O-N 2.83Å; R1717-H1741 PolarHBondContact NH1-ND1 2.84Å |
| 1718 | K | 96.2 | Very high | 84.3 | Confident | 95 Ų | 95 | 67.3 Ų | 67.3 | 41% | 0.413 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 125.7 | 158.8 | -91.5 | 176.3 | 175.3 | 169.1 | 0 | 109.2 | L1706 S1707 V1738 | L1706-K1718 HydrophobicContact CB-CB 4.13Å; L1706-K1718 WeakPolarHBondContact CB-O 3.29Å; L1706-K1718 PolarHBondContact N-O 2.93Å; S1707-K1718 PolarHBondContact N-O 3.19Å; S1707-K1718 PolarHBondContact O-N 2.83Å; K1718-V1738 HydrophobicContact CG-CG2 3.95Å |
| 1719 | L | 96.9 | Very high | 82.1 | Confident | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 146.2 | -179.4 | -60.4 | 161.5 | 0 | 0 | 0 | 108.2 | W1655 W1684 V1703 T1704 L1705 R1717 Y1736 V1737 Q1739 | W1655-L1719 HydrophobicContact CH2-CD1 3.72Å; W1655-L1719 HydrophobicContact CZ2-CD1 4.36Å; W1684-L1719 HydrophobicContact CB-CD1 4.39Å; W1684-L1719 HydrophobicContact CB-CD2 3.99Å; V1703-L1719 HydrophobicContact CG1-CB 4.49Å; V1703-L1719 HydrophobicContact CG1-CD2 4.38Å; T1704-L1719 CarbonylContact O-C 3.57Å; T1704-L1719 VanDerWaalsContact O-CA 3.28Å; T1704-L1719 WeakPolarHBondContact O-CA 3.31Å; L1705-L1719 HydrophobicContact CB-CD2 4.27Å; L1705-L1719 HydrophobicContact CD1-CD2 3.67Å; R1717-L1719 HydrophobicContact CB-CG 4.3Å; L1719-Y1736 CarbonylContact O-C 3.57Å; L1719-Y1736 WeakPolarHBondContact O-CA 3.39Å; L1719-V1737 HydrophobicContact CB-CB 4.46Å; L1719-V1737 PolarHBondContact N-O 2.85Å; L1719-V1737 PolarHBondContact O-N 3.13Å; L1719-Q1739 HydrophobicContact CD1-CB 4.12Å |
| 1720 | Y | 93.6 | Very high | 80.3 | Confident | 62 Ų | 62 | 70.7 Ų | 70.7 | 24% | 0.243 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 125.7 | 171.5 | -176.4 | -108.5 | 0 | 0 | 0 | 109.1 | V1703 T1704 S1734 K1735 Y1736 | V1703-Y1720 CarbonylContact C-O 3.48Å; V1703-Y1720 WeakPolarHBondContact CA-O 3.38Å; T1704-Y1720 PolarHBondContact N-O 2.83Å; T1704-Y1720 PolarHBondContact O-N 3.49Å; Y1720-S1734 WeakPolarHBondContact OH-CB 3.34Å; Y1720-S1734 PolarHBondContact OH-OG 2.85Å; Y1720-S1734 VanDerWaalsContact OH-OG 3.1Å; Y1720-K1735 WeakPolarHBondContact CA-O 3.42Å; Y1720-Y1736 AromaticContact CD2-CD1 3.9Å; Y1720-Y1736 HydrophobicContact CD2-CD1 3.9Å; Y1720-Y1736 HydrophobicContact CD2-CD2 4.12Å; Y1720-Y1736 AromaticContact CD2-CE1 3.78Å; Y1720-Y1736 HydrophobicContact CD2-CE1 3.78Å; Y1720-Y1736 AromaticContact CD2-CE2 3.97Å; Y1720-Y1736 HydrophobicContact CD2-CE2 3.97Å; Y1720-Y1736 HydrophobicContact CD2-CG 4.08Å; Y1720-Y1736 AromaticContact CD2-CZ 3.8Å; Y1720-Y1736 HydrophobicContact CE2-CD2 4.25Å; Y1720-Y1736 HydrophobicContact CE2-CE1 4.42Å; Y1720-Y1736 AromaticContact CE2-CE2 3.88Å; Y1720-Y1736 HydrophobicContact CE2-CE2 3.88Å; Y1720-Y1736 AromaticContact CE2-CZ 3.97Å; Y1720-Y1736 HydrophobicContact CG-CE1 4.49Å |
| 1721 | I | 92.6 | Very high | 78.6 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 140 | 178.5 | -55.9 | 168.7 | 0 | 0 | 0 | 108.3 | W1655 I1658 L1659 E1702 V1703 S1734 K1735 V1737 | W1655-I1721 HydrophobicContact CD2-CD1 4.1Å; W1655-I1721 HydrophobicContact CE3-CD1 3.12Å; W1655-I1721 HydrophobicContact CE3-CG1 3.94Å; W1655-I1721 HydrophobicContact CH2-CD1 4.35Å; W1655-I1721 HydrophobicContact CZ3-CD1 3.3Å; W1655-I1721 HydrophobicContact CZ3-CG1 3.97Å; I1658-I1721 HydrophobicContact CG2-CD1 3.66Å; L1659-I1721 HydrophobicContact CD1-CG2 3.61Å; L1659-I1721 HydrophobicContact CD2-CG2 4.21Å; L1659-I1721 HydrophobicContact CG-CG2 3.92Å; E1702-I1721 CarbonylContact O-C 3.46Å; E1702-I1721 VanDerWaalsContact O-CA 3.26Å; E1702-I1721 WeakPolarHBondContact O-CA 3.45Å; V1703-I1721 HydrophobicContact CG1-CG1 4.34Å; V1703-I1721 HydrophobicContact CG2-CG1 4.14Å; V1703-I1721 HydrophobicContact CG2-CG2 4.45Å; I1721-S1734 CarbonylContact O-C 3.55Å; I1721-S1734 WeakPolarHBondContact O-CA 3.39Å; I1721-S1734 WeakPolarHBondContact O-CB 3.48Å; I1721-K1735 PolarHBondContact N-O 2.89Å; I1721-K1735 PolarHBondContact O-N 2.81Å; I1721-V1737 HydrophobicContact CD1-CG2 3.83Å; I1721-V1737 HydrophobicContact CG1-CG2 4.46Å |
| 1722 | T | 88.1 | Confident | 77.3 | Confident | 34 Ų | 34 | 73.9 Ų | 73.9 | 21% | 0.209 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 144.5 | 169.2 | -171.8 | 0 | 0 | 0 | 0 | 111.9 | L1701 E1702 | L1701-T1722 WeakPolarHBondContact CA-O 3.43Å; E1702-T1722 HydrophobicContact CB-CG2 3.82Å; E1702-T1722 HydrophobicContact CG-CG2 4.44Å; E1702-T1722 PolarHBondContact N-O 2.81Å; E1702-T1722 PolarHBondContact O-N 3.04Å |
| 1723 | S | 83.5 | Confident | 76.8 | Confident | 14 Ų | 14 | 67.5 Ų | 67.5 | 10% | 0.098 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 122.4 | 172.5 | 137.3 | 0 | 0 | 0 | 0 | 110.3 | Y1726 N1733 | S1723-Y1726 WeakPolarHBondContact OG-CB 3.43Å; S1723-N1733 PolarHBondContact N-O 2.54Å |
| 1724 | I | 78.9 | Confident | 76.5 | Confident | 78 Ų | 78 | 68 Ų | 68 | 40% | 0.4 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -87.9 | -26.3 | -170.3 | -24.6 | 173.8 | 0 | 0 | 0 | 113.2 | T1693 K1700 E1702 | T1693-I1724 HydrophobicContact CG2-CD1 3.68Å; K1700-I1724 HydrophobicContact CB-CB 4.44Å; K1700-I1724 HydrophobicContact CB-CD1 3.88Å; K1700-I1724 HydrophobicContact CB-CG1 4.1Å; K1700-I1724 PolarHBondContact O-N 3.3Å; E1702-I1724 HydrophobicContact CB-CD1 3.85Å; E1702-I1724 HydrophobicContact CB-CG1 3.95Å |
| 1725 | N | 70 | Confident | 76.2 | Confident | 90 Ų | 90 | 69.3 Ų | 69.3 | 48% | 0.481 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -114.6 | 7.1 | -165.6 | -61.4 | -1.2 | 0 | 0 | 0 | 114.7 | K1700 | K1700-N1725 WeakPolarHBondContact CG-ND2 3.39Š|
| 1726 | Y | 57.9 | Low | 76 | Confident | 138 Ų | 138 | 75 Ų | 75 | 54% | 0.541 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -102.6 | 117.7 | 179.8 | -142.6 | -96.8 | 0 | 0 | 0 | 109.4 | S1723 S1728 | S1723-Y1726 WeakPolarHBondContact OG-CB 3.43Å; Y1726-S1728 PolarHBondContact O-N 3.48Å |
| 1727 | Q | 48.1 | Very low | 75.9 | Confident | 204 Ų | 204 | 73.8 Ų | 73.8 | 95% | 0.953 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -69.2 | 44.6 | -167.1 | -75.3 | -172.5 | -29.1 | 0 | 0 | 116.2 | ||
| 1728 | S | 46.8 | Very low | 75.8 | Confident | 62 Ų | 62 | 73.2 Ų | 73.2 | 43% | 0.434 | 37% | 0.365 | S | S | . | . | trans | -144.7 | 124.1 | 175.3 | -171.5 | 0 | 0 | 0 | 0 | 110.5 | Y1726 N1730 | Y1726-S1728 PolarHBondContact O-N 3.48Å; S1728-N1730 PolarHBondContact O-N 2.85Å; S1728-N1730 WeakPolarHBondContact OG-CB 3.43Å | ||
| 1729 | N | 49.3 | Very low | 75.9 | Confident | 178 Ų | 178 | 68.7 Ų | 68.7 | 95% | 0.952 | 35% | 0.345 | S | S | * | . | trans | -63.9 | 35.2 | 166.8 | -77.8 | -11.8 | 0 | 0 | 0 | 111.9 | P1731 | N1729-P1731 WeakPolarHBondContact O-CD 3.35Š| ||
| 1730 | N | 55.6 | Low | 75.9 | Confident | 70 Ų | 70 | 68.9 Ų | 68.9 | 37% | 0.374 | 35% | 0.346 | S | S | . | . | trans | -80.4 | 122.2 | -177.2 | -152.6 | -0.9 | 0 | 0 | 0 | 108.3 | S1728 E1732 N1733 | S1728-N1730 PolarHBondContact O-N 2.85Å; S1728-N1730 WeakPolarHBondContact OG-CB 3.43Å; N1730-E1732 PolarHBondContact O-N 2.93Å; N1730-N1733 PolarHBondContact O-N 2.85Å | ||
| 1731 | P | 56 | Low | 76 | Confident | 99 Ų | 99 | 66.1 Ų | 66.1 | 64% | 0.643 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -54.6 | -21 | 178.1 | 16.8 | -30.3 | 0 | 0 | 0 | 113.7 | N1729 N1733 S1734 | N1729-P1731 WeakPolarHBondContact O-CD 3.35Å; P1731-N1733 PolarHBondContact O-N 2.88Å; P1731-S1734 PolarHBondContact O-N 2.92Å; P1731-S1734 VanDerWaalsContact O-O 3.09Å; P1731-S1734 PolarHBondContact O-OG 2.74Å |
| 1732 | E | 59.6 | Low | 76.1 | Confident | 159 Ų | 159 | 66.2 Ų | 66.2 | 74% | 0.743 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -65 | -16.2 | 174.5 | -63.2 | -166.3 | 154.2 | 0 | 0 | 115 | N1730 S1734 | N1730-E1732 PolarHBondContact O-N 2.93Å; E1732-S1734 VanDerWaalsContact C-N 3.35Å |
| 1733 | N | 69.6 | Low | 75.9 | Confident | 43 Ų | 43 | 67.7 Ų | 67.7 | 23% | 0.23 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -90.7 | 4 | 179 | -75.5 | -21.9 | 0 | 0 | 0 | 113.8 | S1723 N1730 P1731 | S1723-N1733 PolarHBondContact N-O 2.54Å; N1730-N1733 PolarHBondContact O-N 2.85Å; P1731-N1733 PolarHBondContact O-N 2.88Å |
| 1734 | S | 81.2 | Confident | 76.1 | Confident | 32 Ų | 32 | 69.3 Ų | 69.3 | 22% | 0.224 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 147.6 | 179.4 | 72 | 0 | 0 | 0 | 0 | 111.5 | Y1720 I1721 P1731 E1732 | Y1720-S1734 WeakPolarHBondContact OH-CB 3.34Å; Y1720-S1734 PolarHBondContact OH-OG 2.85Å; Y1720-S1734 VanDerWaalsContact OH-OG 3.1Å; I1721-S1734 CarbonylContact O-C 3.55Å; I1721-S1734 WeakPolarHBondContact O-CA 3.39Å; I1721-S1734 WeakPolarHBondContact O-CB 3.48Å; P1731-S1734 PolarHBondContact O-N 2.92Å; P1731-S1734 VanDerWaalsContact O-O 3.09Å; P1731-S1734 PolarHBondContact O-OG 2.74Å; E1732-S1734 VanDerWaalsContact C-N 3.35Å |
| 1735 | K | 87 | Confident | 76.6 | Confident | 33 Ų | 33 | 65.7 Ų | 65.7 | 14% | 0.143 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 138.8 | -174.1 | -162.7 | 146.4 | -149.8 | -153.5 | 0 | 114.9 | L1659 N1662 T1664 Y1720 I1721 V1737 | L1659-K1735 HydrophobicContact CD2-CB 4.05Å; N1662-K1735 PolarHBondContact O-NZ 2.87Å; N1662-K1735 WeakPolarHBondContact OD1-CE 3.43Å; N1662-K1735 PolarHBondContact OD1-NZ 2.8Å; T1664-K1735 HydrophobicContact CG2-CD 4.44Å; T1664-K1735 VanDerWaalsContact CG2-CE 3.43Å; Y1720-K1735 WeakPolarHBondContact CA-O 3.42Å; I1721-K1735 PolarHBondContact N-O 2.89Å; I1721-K1735 PolarHBondContact O-N 2.81Å; K1735-V1737 HydrophobicContact CG-CG2 4.29Å |
| 1736 | Y | 91.3 | Very high | 77 | Confident | 143 Ų | 143 | 64.2 Ų | 64.2 | 56% | 0.561 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 129.5 | 164.1 | -65.7 | -86.4 | 0 | 0 | 0 | 110.4 | L1706 L1719 Y1720 | L1706-Y1736 HydrophobicContact CD1-CD1 3.62Å; L1706-Y1736 HydrophobicContact CD1-CE1 3.39Å; L1719-Y1736 CarbonylContact O-C 3.57Å; L1719-Y1736 WeakPolarHBondContact O-CA 3.39Å; Y1720-Y1736 AromaticContact CD2-CD1 3.9Å; Y1720-Y1736 HydrophobicContact CD2-CD1 3.9Å; Y1720-Y1736 HydrophobicContact CD2-CD2 4.12Å; Y1720-Y1736 AromaticContact CD2-CE1 3.78Å; Y1720-Y1736 HydrophobicContact CD2-CE1 3.78Å; Y1720-Y1736 AromaticContact CD2-CE2 3.97Å; Y1720-Y1736 HydrophobicContact CD2-CE2 3.97Å; Y1720-Y1736 HydrophobicContact CD2-CG 4.08Å; Y1720-Y1736 AromaticContact CD2-CZ 3.8Å; Y1720-Y1736 HydrophobicContact CE2-CD2 4.25Å; Y1720-Y1736 HydrophobicContact CE2-CE1 4.42Å; Y1720-Y1736 AromaticContact CE2-CE2 3.88Å; Y1720-Y1736 HydrophobicContact CE2-CE2 3.88Å; Y1720-Y1736 AromaticContact CE2-CZ 3.97Å; Y1720-Y1736 HydrophobicContact CG-CE1 4.49Å |
| 1737 | V | 94.5 | Very high | 77.2 | Confident | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.006 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 130.9 | -179.3 | -175.7 | 0 | 0 | 0 | 0 | 109.2 | I1658 T1664 I1666 L1719 I1721 K1735 | I1658-V1737 HydrophobicContact CG2-CG2 3.89Å; T1664-V1737 CarbonylContact O-C 3.54Å; T1664-V1737 WeakPolarHBondContact O-CA 3.38Å; I1666-V1737 HydrophobicContact CD1-CG1 3.65Å; I1666-V1737 HydrophobicContact CG1-CG1 3.64Å; L1719-V1737 HydrophobicContact CB-CB 4.46Å; L1719-V1737 PolarHBondContact N-O 2.85Å; L1719-V1737 PolarHBondContact O-N 3.13Å; I1721-V1737 HydrophobicContact CD1-CG2 3.83Å; I1721-V1737 HydrophobicContact CG1-CG2 4.46Å; K1735-V1737 HydrophobicContact CG-CG2 4.29Å |
| 1738 | V | 95.8 | Very high | 77.7 | Confident | 3 Ų | 3 | 56.2 Ų | 56.2 | 2% | 0.018 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 130.7 | 173.9 | -179.1 | 0 | 0 | 0 | 0 | 108.9 | T1664 I1665 I1666 L1716 R1717 K1718 F1740 L1766 Y1772 | T1664-V1738 PolarHBondContact O-N 3.45Å; I1665-V1738 CarbonylContact C-O 3.51Å; I1665-V1738 VanDerWaalsContact CA-O 3.31Å; I1665-V1738 WeakPolarHBondContact CA-O 3.34Å; I1666-V1738 PolarHBondContact N-O 2.86Å; L1716-V1738 HydrophobicContact CD1-CG1 3.42Å; L1716-V1738 VanDerWaalsContact CD1-CG1 3.42Å; L1716-V1738 HydrophobicContact CG-CG1 3.95Å; R1717-V1738 CarbonylContact O-C 3.38Å; R1717-V1738 WeakPolarHBondContact O-CA 3.47Å; K1718-V1738 HydrophobicContact CG-CG2 3.95Å; V1738-F1740 HydrophobicContact CG1-CD2 4.4Å; V1738-F1740 HydrophobicContact CG1-CE2 4.2Å; V1738-L1766 HydrophobicContact CB-CD2 4.1Å; V1738-L1766 HydrophobicContact CG1-CD2 3.81Å; V1738-L1766 HydrophobicContact CG2-CD2 4.27Å; V1738-Y1772 HydrophobicContact CG2-CE1 3.88Å |
| 1739 | Q | 97.2 | Very high | 79.3 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 118 | 174.9 | -175.4 | -162.8 | 31.5 | 0 | 0 | 109.6 | I1666 M1668 Y1683 L1716 R1717 L1719 | I1666-Q1739 HydrophobicContact CB-CB 4.28Å; I1666-Q1739 HydrophobicContact CB-CG 4.14Å; I1666-Q1739 HydrophobicContact CG2-CG 4.28Å; I1666-Q1739 CarbonylContact O-C 3.54Å; I1666-Q1739 WeakPolarHBondContact O-CA 3.44Å; M1668-Q1739 PolarHBondContact SD-NE2 2.86Å; M1668-Q1739 VanDerWaalsContact SD-NE2 3.43Å; Y1683-Q1739 VanDerWaalsContact CZ-NE2 3.34Å; Y1683-Q1739 PolarHBondContact OH-NE2 3.16Å; L1716-Q1739 CarbonylContact C-O 3.59Å; L1716-Q1739 WeakPolarHBondContact CA-O 3.49Å; R1717-Q1739 HydrophobicContact CB-CB 4.26Å; R1717-Q1739 PolarHBondContact N-O 2.88Å; R1717-Q1739 PolarHBondContact O-N 2.83Å; L1719-Q1739 HydrophobicContact CD1-CB 4.12Å |
| 1740 | F | 97.4 | Very high | 81.2 | Confident | 4 Ų | 4 | 50.3 Ų | 50.3 | 2% | 0.018 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 116.7 | 162 | -74.9 | -98.5 | 0 | 0 | 0 | 108.6 | I1665 I1666 V1667 M1668 Y1714 L1716 V1738 L1759 D1762 L1766 | I1665-F1740 HydrophobicContact CG2-CD2 4.09Å; I1665-F1740 HydrophobicContact CG2-CE2 4.37Å; I1666-F1740 PolarHBondContact O-N 2.89Å; V1667-F1740 CarbonylContact C-O 3.58Å; V1667-F1740 WeakPolarHBondContact CA-O 3.42Å; M1668-F1740 PolarHBondContact N-O 3.18Å; Y1714-F1740 HydrophobicContact CD1-CD1 4.43Å; Y1714-F1740 AromaticContact CD2-CD1 3.58Å; Y1714-F1740 HydrophobicContact CD2-CD1 3.58Å; Y1714-F1740 HydrophobicContact CD2-CE1 4.16Å; Y1714-F1740 HydrophobicContact CE1-CD1 4.35Å; Y1714-F1740 HydrophobicContact CE1-CE1 4.36Å; Y1714-F1740 AromaticContact CE2-CD1 3.49Å; Y1714-F1740 HydrophobicContact CE2-CD1 3.49Å; Y1714-F1740 VanDerWaalsContact CE2-CD1 3.49Å; Y1714-F1740 AromaticContact CE2-CE1 3.57Å; Y1714-F1740 HydrophobicContact CE2-CE1 3.57Å; Y1714-F1740 HydrophobicContact CG-CD1 4.1Å; Y1714-F1740 AromaticContact CZ-CD1 3.91Å; Y1714-F1740 AromaticContact CZ-CE1 3.7Å; L1716-F1740 HydrophobicContact CD1-CD1 3.72Å; L1716-F1740 HydrophobicContact CD1-CD2 3.73Å; L1716-F1740 HydrophobicContact CD1-CE1 3.56Å; L1716-F1740 HydrophobicContact CD1-CE2 3.57Å; L1716-F1740 HydrophobicContact CD1-CG 3.81Å; L1716-F1740 HydrophobicContact CD1-CZ 3.48Å; L1716-F1740 VanDerWaalsContact CD1-CZ 3.48Å; V1738-F1740 HydrophobicContact CG1-CD2 4.4Å; V1738-F1740 HydrophobicContact CG1-CE2 4.2Å; F1740-L1759 HydrophobicContact CB-CD1 4.28Å; F1740-L1759 HydrophobicContact CD1-CD1 3.67Å; F1740-L1759 HydrophobicContact CE1-CD1 4.43Å; F1740-L1759 HydrophobicContact CG-CD1 4.31Å; F1740-D1762 HydrophobicContact CE1-CB 4.44Å; F1740-L1766 HydrophobicContact CE2-CD2 3.58Å; F1740-L1766 HydrophobicContact CZ-CB 4.39Å; F1740-L1766 HydrophobicContact CZ-CD2 4.03Å |
| 1741 | H | 96.2 | Very high | 82.8 | Confident | 4 Ų | 4 | 47.1 Ų | 47.1 | 2% | 0.019 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 96.4 | 178.5 | -177.2 | -164.3 | 0 | 0 | 0 | 110.1 | M1668 T1670 Y1714 I1715 R1717 M1743 | M1668-H1741 HydrophobicContact CB-CB 4.37Å; M1668-H1741 WeakPolarHBondContact CE-NE2 3.44Å; M1668-H1741 VanDerWaalsContact CG-CD2 3.46Å; M1668-H1741 WeakPolarHBondContact CG-CD2 3.39Å; M1668-H1741 CarbonylContact O-C 3.59Å; M1668-H1741 WeakPolarHBondContact O-CA 3.24Å; T1670-H1741 PolarHBondContact O-NE2 2.84Å; Y1714-H1741 CarbonylContact C-O 3.54Å; Y1714-H1741 WeakPolarHBondContact CA-O 3.26Å; Y1714-H1741 WeakPolarHBondContact CB-O 3.15Å; I1715-H1741 HydrophobicContact CB-CB 4.37Å; I1715-H1741 PolarHBondContact N-O 3.06Å; I1715-H1741 PolarHBondContact O-N 2.88Å; R1717-H1741 PolarHBondContact NH1-ND1 2.84Å; H1741-M1743 PolarHBondContact CE1-SD 2.98Å; H1741-M1743 PolarHBondContact NE2-SD 3.26Å; H1741-M1743 PolarHBondContact O-N 2.94Å |
| 1742 | M | 93.4 | Very high | 84.4 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 117.9 | 179.6 | -171.6 | -179.4 | -173.8 | 0 | 0 | 110.3 | M1668 L1669 T1744 W1745 P1751 F1756 L1759 | M1668-M1742 PolarHBondContact O-N 3.14Å; L1669-M1742 HydrophobicContact CD2-CB 4.21Å; L1669-M1742 HydrophobicContact CD2-SD 4.39Å; M1742-T1744 WeakPolarHBondContact CE-OG1 3.31Å; M1742-W1745 HydrophobicContact SD-CB 4.26Å; M1742-W1745 HydrophobicContact SD-CE3 3.87Å; M1742-P1751 HydrophobicContact CE-CB 3.69Å; M1742-P1751 HydrophobicContact CE-CG 4.48Å; M1742-F1756 HydrophobicContact CE-CD2 4.39Å; M1742-F1756 HydrophobicContact SD-CD2 4.35Å; M1742-L1759 HydrophobicContact CB-CD2 4.2Å; M1742-L1759 HydrophobicContact CG-CD2 4.24Å; M1742-L1759 HydrophobicContact SD-CD2 3.59Å; M1742-L1759 VanDerWaalsContact SD-CD2 3.59Å |
| 1743 | M | 84.8 | Confident | 86 | Confident | 65 Ų | 65 | 43.4 Ų | 43.4 | 32% | 0.32 | 22% | 0.215 | S | C | . | . | trans | -98.4 | -10.3 | -175 | -66.8 | -67.3 | -81.7 | 0 | 0 | 112.9 | K1671 I1713 I1715 H1741 | K1671-M1743 WeakPolarHBondContact CE-O 3.29Å; K1671-M1743 HydrophobicContact CG-CE 4.28Å; K1671-M1743 HydrophobicContact CG-SD 4.14Å; I1713-M1743 PolarHBondContact O-N 3.22Å; I1715-M1743 HydrophobicContact CD1-CG 4.12Å; I1715-M1743 HydrophobicContact CG1-CG 4.4Å; H1741-M1743 PolarHBondContact CE1-SD 2.98Å; H1741-M1743 PolarHBondContact NE2-SD 3.26Å; H1741-M1743 PolarHBondContact O-N 2.94Å | ||
| 1744 | T | 87.6 | Confident | 87 | Confident | 47 Ų | 47 | 45 Ų | 45 | 29% | 0.288 | 23% | 0.229 | S | C | . | . | trans | -97.6 | -5.7 | -172.7 | 65.5 | 0 | 0 | 0 | 0 | 114.8 | M1742 P1746 E1755 | M1742-T1744 WeakPolarHBondContact CE-OG1 3.31Å; T1744-P1746 VanDerWaalsContact O-CD 3.27Å; T1744-P1746 WeakPolarHBondContact O-CD 3.34Å; T1744-E1755 VanDerWaalsContact CB-OE2 3.26Å; T1744-E1755 WeakPolarHBondContact CB-OE2 3.42Å; T1744-E1755 PolarHBondContact OG1-OE2 2.71Å | ||
| 1745 | W | 89.2 | Confident | 87.4 | Confident | 3 Ų | 3 | 45.3 Ų | 45.3 | 1% | 0.011 | 23% | 0.227 | C | C | . | . | trans | -74.6 | 115.5 | 179.3 | -159.2 | -35.8 | 0 | 0 | 0 | 111.2 | L1669 M1742 D1749 P1751 F1756 R1787 T1790 | L1669-W1745 HydrophobicContact CB-CE3 4.24Å; L1669-W1745 HydrophobicContact CD1-CZ3 4.08Å; L1669-W1745 HydrophobicContact CD2-CE3 4.02Å; L1669-W1745 HydrophobicContact CD2-CZ3 4.03Å; L1669-W1745 HydrophobicContact CG-CZ3 4.46Å; M1742-W1745 HydrophobicContact SD-CB 4.26Å; M1742-W1745 HydrophobicContact SD-CE3 3.87Å; W1745-D1749 PolarHBondContact NE1-O 3.13Å; W1745-P1751 HydrophobicContact CD2-CB 4.16Å; W1745-P1751 HydrophobicContact CD2-CG 3.92Å; W1745-P1751 VanDerWaalsContact CE2-CD 3.47Å; W1745-P1751 HydrophobicContact CE3-CG 4.12Å; W1745-P1751 HydrophobicContact CG-CB 4.18Å; W1745-P1751 HydrophobicContact CG-CG 4.42Å; W1745-P1751 HydrophobicContact CH2-CG 4.24Å; W1745-P1751 HydrophobicContact CZ2-CG 4.09Å; W1745-P1751 HydrophobicContact CZ3-CG 4.29Å; W1745-F1756 HydrophobicContact CE3-CE2 4.42Å; W1745-F1756 HydrophobicContact CH2-CE2 4.05Å; W1745-F1756 HydrophobicContact CZ3-CD2 4.13Å; W1745-F1756 AromaticContact CZ3-CE2 3.6Å; W1745-F1756 HydrophobicContact CZ3-CE2 3.6Å; W1745-R1787 HydrophobicContact CD2-CB 4.08Å; W1745-R1787 HydrophobicContact CD2-CG 3.93Å; W1745-R1787 HydrophobicContact CE3-CB 4.11Å; W1745-R1787 HydrophobicContact CE3-CG 4.46Å; W1745-R1787 HydrophobicContact CG-CG 4.31Å; W1745-R1787 HydrophobicContact CH2-CB 3.92Å; W1745-R1787 HydrophobicContact CZ2-CB 3.83Å; W1745-R1787 HydrophobicContact CZ2-CG 3.93Å; W1745-R1787 HydrophobicContact CZ3-CB 4.02Å; W1745-R1787 PolarHBondContact O-NH1 2.91Å; W1745-T1790 HydrophobicContact CH2-CG2 3.78Å; W1745-T1790 HydrophobicContact CZ2-CG2 4.03Å | ||
| 1746 | P | 77.6 | Confident | 87.7 | Confident | 59 Ų | 59 | 43.7 Ų | 43.7 | 38% | 0.383 | 22% | 0.22 | S | C | . | . | trans | -72.2 | 153.8 | -179.6 | -7.7 | 22.7 | 0 | 0 | 0 | 113.2 | T1744 D1749 | T1744-P1746 VanDerWaalsContact O-CD 3.27Å; T1744-P1746 WeakPolarHBondContact O-CD 3.34Å; P1746-D1749 HydrophobicContact CB-CB 4.09Å; P1746-D1749 HydrophobicContact CG-CB 4.36Å | ||
| 1747 | D | 62.6 | Low | 87.7 | Confident | 38 Ų | 38 | 39.9 Ų | 39.9 | 20% | 0.203 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | 137.5 | 176.7 | -153.1 | 14.9 | 0 | 0 | 0 | 113.1 | E1674 K1679 D1749 R1787 | E1674-D1747 HydrophobicContact CB-CB 4.48Å; E1674-D1747 WeakPolarHBondContact OE2-CB 2.94Å; K1679-D1747 WeakPolarHBondContact CE-OD2 3.48Å; K1679-D1747 IonicContact NZ-OD2 3.83Å; K1679-D1747 PolarHBondContact NZ-OD2 2.59Å; D1747-D1749 PolarHBondContact O-N 3.06Å; D1747-R1787 IonicContact OD1-CZ 2.7Å; D1747-R1787 IonicContact OD1-NH2 3.8Å; D1747-R1787 PolarHBondContact OD1-NH2 2.64Å |
| 1748 | F | 59.6 | Low | 87.5 | Confident | 136 Ų | 136 | 43.1 Ų | 43.1 | 60% | 0.596 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | 7.1 | -175 | -54.1 | -75.9 | 0 | 0 | 0 | 117.3 | ||
| 1749 | D | 78.8 | Confident | 87.4 | Confident | 84 Ų | 84 | 43 Ų | 43 | 45% | 0.449 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -119.5 | -168.9 | 179.3 | -148.7 | -16.4 | 0 | 0 | 0 | 112.1 | W1745 P1746 D1747 | W1745-D1749 PolarHBondContact NE1-O 3.13Å; P1746-D1749 HydrophobicContact CB-CB 4.09Å; P1746-D1749 HydrophobicContact CG-CB 4.36Å; D1747-D1749 PolarHBondContact O-N 3.06Å |
| 1750 | V | 89.6 | Confident | 87.2 | Confident | 31 Ų | 31 | 43 Ų | 43 | 19% | 0.188 | 23% | 0.226 | C | C | . | . | trans | -111.1 | 151.4 | 179.4 | -61 | 0 | 0 | 0 | 0 | 111.2 | A1829 Q1830 F1833 | V1750-A1829 VanDerWaalsContact CG1-C 3.46Å; V1750-A1829 HydrophobicContact CG1-CB 4.06Å; V1750-A1829 WeakPolarHBondContact CG1-O 3.5Å; V1750-Q1830 HydrophobicContact CG1-CB 4.49Å; V1750-Q1830 HydrophobicContact CG1-CG 4.13Å; V1750-F1833 HydrophobicContact CB-CB 3.87Å; V1750-F1833 HydrophobicContact CB-CD2 3.89Å; V1750-F1833 HydrophobicContact CB-CG 3.89Å; V1750-F1833 HydrophobicContact CG1-CB 3.65Å; V1750-F1833 HydrophobicContact CG1-CG 4.15Å; V1750-F1833 HydrophobicContact CG2-CB 4.26Å; V1750-F1833 HydrophobicContact CG2-CD2 4.04Å; V1750-F1833 HydrophobicContact CG2-CG 4.4Å | ||
| 1751 | P | 90.6 | Very high | 86.9 | Confident | 4 Ų | 4 | 48.2 Ų | 48.2 | 3% | 0.026 | 25% | 0.249 | C | C | . | . | trans | -75.4 | 164.9 | 179.8 | 31.4 | -27 | 0 | 0 | 0 | 109.9 | M1742 W1745 L1753 F1756 F1833 | M1742-P1751 HydrophobicContact CE-CB 3.69Å; M1742-P1751 HydrophobicContact CE-CG 4.48Å; W1745-P1751 HydrophobicContact CD2-CB 4.16Å; W1745-P1751 HydrophobicContact CD2-CG 3.92Å; W1745-P1751 VanDerWaalsContact CE2-CD 3.47Å; W1745-P1751 HydrophobicContact CE3-CG 4.12Å; W1745-P1751 HydrophobicContact CG-CB 4.18Å; W1745-P1751 HydrophobicContact CG-CG 4.42Å; W1745-P1751 HydrophobicContact CH2-CG 4.24Å; W1745-P1751 HydrophobicContact CZ2-CG 4.09Å; W1745-P1751 HydrophobicContact CZ3-CG 4.29Å; P1751-L1753 PolarHBondContact O-N 3.48Å; P1751-F1756 HydrophobicContact CB-CB 4.34Å; P1751-F1756 HydrophobicContact CB-CD2 4.47Å; P1751-F1756 HydrophobicContact CG-CB 3.92Å; P1751-F1756 HydrophobicContact CG-CD2 3.67Å; P1751-F1756 HydrophobicContact CG-CE2 4.47Å; P1751-F1756 HydrophobicContact CG-CG 3.93Å; P1751-F1833 HydrophobicContact CG-CE1 3.95Å; P1751-F1833 HydrophobicContact CG-CE2 4.15Å; P1751-F1833 HydrophobicContact CG-CZ 3.63Å; P1751-F1833 WeakPolarHBondContact O-CE2 3.48Å | ||
| 1752 | K | 89.3 | Confident | 86.7 | Confident | 138 Ų | 138 | 49.9 Ų | 49.9 | 60% | 0.6 | 26% | 0.258 | S | S | * | . | trans | -64.2 | 133 | 167.9 | -69.1 | -169.5 | -160.5 | 149.4 | 0 | 109.4 | S1754 E1755 F1756 | K1752-S1754 VanDerWaalsContact C-N 3.33Å; K1752-S1754 PolarHBondContact O-N 2.8Å; K1752-E1755 HydrophobicContact CB-CB 4.34Å; K1752-E1755 HydrophobicContact CB-CG 4.05Å; K1752-E1755 WeakPolarHBondContact CD-OE1 3Å; K1752-E1755 IonicContact NZ-OE1 3.6Å; K1752-E1755 PolarHBondContact NZ-OE1 2.82Å; K1752-E1755 PolarHBondContact O-N 2.88Å; K1752-F1756 PolarHBondContact O-N 2.88Å | ||
| 1753 | L | 92.5 | Very high | 86.8 | Confident | 41 Ų | 41 | 49.9 Ų | 49.9 | 22% | 0.215 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.6 | -42.9 | -173.3 | -177.6 | 59.4 | 0 | 0 | 0 | 112.9 | P1751 F1756 Q1757 F1833 Q1836 F1837 T1840 | P1751-L1753 PolarHBondContact O-N 3.48Å; L1753-F1756 PolarHBondContact O-N 2.79Å; L1753-Q1757 HydrophobicContact CD1-CG 4.4Å; L1753-Q1757 WeakPolarHBondContact O-CG 3.19Å; L1753-Q1757 PolarHBondContact O-N 2.79Å; L1753-F1833 HydrophobicContact CB-CE2 4.07Å; L1753-F1833 HydrophobicContact CD1-CE2 3.86Å; L1753-F1833 HydrophobicContact CD1-CZ 3.88Å; L1753-Q1836 HydrophobicContact CD2-CB 4.29Å; L1753-F1837 HydrophobicContact CD1-CB 3.75Å; L1753-F1837 HydrophobicContact CD1-CD2 3.82Å; L1753-F1837 HydrophobicContact CD1-CG 4.29Å; L1753-T1840 WeakPolarHBondContact CD2-OG1 3.3Å |
| 1754 | S | 90.2 | Very high | 87.2 | Confident | 76 Ų | 76 | 48 Ų | 48 | 53% | 0.531 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.4 | -43.5 | 179 | 55.6 | 0 | 0 | 0 | 0 | 112.8 | K1752 F1756 Q1757 T1758 | K1752-S1754 VanDerWaalsContact C-N 3.33Å; K1752-S1754 PolarHBondContact O-N 2.8Å; S1754-F1756 VanDerWaalsContact C-N 3.33Å; S1754-Q1757 PolarHBondContact O-N 3.15Å; S1754-T1758 PolarHBondContact O-N 2.85Å; S1754-T1758 VanDerWaalsContact O-N 3.14Å; S1754-T1758 PolarHBondContact O-OG1 2.65Å |
| 1755 | E | 90.7 | Very high | 87.3 | Confident | 39 Ų | 39 | 51.6 Ų | 51.6 | 18% | 0.182 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.7 | -41.5 | 178 | -62.9 | 176.9 | -167 | 0 | 0 | 110.5 | I1713 T1744 K1752 T1758 L1759 | I1713-E1755 HydrophobicContact CB-CB 4.47Å; I1713-E1755 WeakPolarHBondContact CD1-O 3.16Å; I1713-E1755 HydrophobicContact CG2-CB 3.78Å; I1713-E1755 HydrophobicContact CG2-CG 3.71Å; T1744-E1755 VanDerWaalsContact CB-OE2 3.26Å; T1744-E1755 WeakPolarHBondContact CB-OE2 3.42Å; T1744-E1755 PolarHBondContact OG1-OE2 2.71Å; K1752-E1755 HydrophobicContact CB-CB 4.34Å; K1752-E1755 HydrophobicContact CB-CG 4.05Å; K1752-E1755 WeakPolarHBondContact CD-OE1 3Å; K1752-E1755 IonicContact NZ-OE1 3.6Å; K1752-E1755 PolarHBondContact NZ-OE1 2.82Å; K1752-E1755 PolarHBondContact O-N 2.88Å; E1755-T1758 PolarHBondContact O-N 3Å; E1755-L1759 PolarHBondContact O-N 2.77Å; E1755-L1759 VanDerWaalsContact O-N 3.08Å |
| 1756 | F | 92.9 | Very high | 87.4 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.2 | -36.9 | 178.2 | -170.7 | -101.1 | 0 | 0 | 0 | 112.7 | M1742 W1745 P1751 K1752 L1753 S1754 L1759 M1760 F1791 A1794 F1833 F1837 | M1742-F1756 HydrophobicContact CE-CD2 4.39Å; M1742-F1756 HydrophobicContact SD-CD2 4.35Å; W1745-F1756 HydrophobicContact CE3-CE2 4.42Å; W1745-F1756 HydrophobicContact CH2-CE2 4.05Å; W1745-F1756 HydrophobicContact CZ3-CD2 4.13Å; W1745-F1756 AromaticContact CZ3-CE2 3.6Å; W1745-F1756 HydrophobicContact CZ3-CE2 3.6Å; P1751-F1756 HydrophobicContact CB-CB 4.34Å; P1751-F1756 HydrophobicContact CB-CD2 4.47Å; P1751-F1756 HydrophobicContact CG-CB 3.92Å; P1751-F1756 HydrophobicContact CG-CD2 3.67Å; P1751-F1756 HydrophobicContact CG-CE2 4.47Å; P1751-F1756 HydrophobicContact CG-CG 3.93Å; K1752-F1756 PolarHBondContact O-N 2.88Å; L1753-F1756 PolarHBondContact O-N 2.79Å; S1754-F1756 VanDerWaalsContact C-N 3.33Å; F1756-L1759 PolarHBondContact O-N 2.85Å; F1756-M1760 HydrophobicContact CD1-CE 4.37Å; F1756-M1760 HydrophobicContact CD2-CE 4.44Å; F1756-M1760 HydrophobicContact CE1-CE 3.73Å; F1756-M1760 HydrophobicContact CE2-CE 3.79Å; F1756-M1760 HydrophobicContact CZ-CE 3.4Å; F1756-M1760 WeakPolarHBondContact O-CB 3.28Å; F1756-M1760 PolarHBondContact O-N 3.36Å; F1756-F1791 HydrophobicContact CE2-CD2 4.23Å; F1756-F1791 HydrophobicContact CZ-CD2 4.3Å; F1756-A1794 HydrophobicContact CE1-CB 3.58Å; F1756-A1794 HydrophobicContact CZ-CB 3.96Å; F1756-F1833 HydrophobicContact CB-CZ 3.85Å; F1756-F1833 AromaticContact CD1-CE1 3.69Å; F1756-F1833 HydrophobicContact CD1-CE1 3.69Å; F1756-F1833 AromaticContact CD1-CZ 3.74Å; F1756-F1833 HydrophobicContact CD1-CZ 3.74Å; F1756-F1833 AromaticContact CE1-CE1 3.97Å; F1756-F1833 HydrophobicContact CE1-CE1 3.97Å; F1756-F1833 HydrophobicContact CE1-CZ 4.47Å; F1756-F1833 AromaticContact CG-CE1 4Å; F1756-F1833 HydrophobicContact CG-CE1 4Å; F1756-F1833 AromaticContact CG-CZ 3.8Å; F1756-F1833 HydrophobicContact CG-CZ 3.8Å; F1756-F1837 AromaticContact CD1-CD2 3.92Å; F1756-F1837 HydrophobicContact CD1-CD2 3.92Å; F1756-F1837 HydrophobicContact CD1-CE2 4.05Å; F1756-F1837 HydrophobicContact CE1-CD2 4.21Å; F1756-F1837 HydrophobicContact CE1-CE2 4.22Å |
| 1757 | Q | 91.6 | Very high | 88.1 | Confident | 63 Ų | 63 | 51.9 Ų | 51.9 | 29% | 0.294 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.3 | -40.5 | 173.4 | -75.9 | 178.3 | -64.6 | 0 | 0 | 112.2 | L1753 S1754 M1760 K1761 F1837 | L1753-Q1757 HydrophobicContact CD1-CG 4.4Å; L1753-Q1757 WeakPolarHBondContact O-CG 3.19Å; L1753-Q1757 PolarHBondContact O-N 2.79Å; S1754-Q1757 PolarHBondContact O-N 3.15Å; Q1757-M1760 PolarHBondContact O-N 2.92Å; Q1757-K1761 WeakPolarHBondContact O-CB 3.26Å; Q1757-K1761 PolarHBondContact O-N 2.83Å; Q1757-F1837 HydrophobicContact CG-CD2 3.95Å; Q1757-F1837 HydrophobicContact CG-CE2 3.75Å |
| 1758 | T | 90 | Very high | 89.1 | Confident | 68 Ų | 68 | 53.2 Ų | 53.2 | 42% | 0.417 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.7 | -50.1 | 174.7 | -58.7 | 0 | 0 | 0 | 0 | 111 | I1713 S1754 E1755 M1760 K1761 D1762 | I1713-T1758 HydrophobicContact CD1-CG2 3.73Å; S1754-T1758 PolarHBondContact O-N 2.85Å; S1754-T1758 VanDerWaalsContact O-N 3.14Å; S1754-T1758 PolarHBondContact O-OG1 2.65Å; E1755-T1758 PolarHBondContact O-N 3Å; T1758-M1760 VanDerWaalsContact C-N 3.25Å; T1758-M1760 PolarHBondContact O-N 3.25Å; T1758-K1761 PolarHBondContact O-N 3.49Å; T1758-D1762 PolarHBondContact O-N 2.86Å |
| 1759 | L | 93.4 | Very high | 90 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -53.5 | -46 | 174.1 | 172 | 68.3 | 0 | 0 | 0 | 111.2 | L1669 I1713 Y1714 F1740 M1742 E1755 F1756 D1762 Y1763 F1791 | L1669-L1759 HydrophobicContact CD2-CD2 4.38Å; I1713-L1759 HydrophobicContact CD1-CB 4.17Å; Y1714-L1759 HydrophobicContact CD1-CB 4.14Å; Y1714-L1759 HydrophobicContact CD1-CD1 3.45Å; Y1714-L1759 VanDerWaalsContact CD1-CD1 3.45Å; Y1714-L1759 HydrophobicContact CD1-CG 4.4Å; Y1714-L1759 HydrophobicContact CE1-CB 4.5Å; Y1714-L1759 HydrophobicContact CE1-CD1 3.98Å; Y1714-L1759 HydrophobicContact CG-CD1 3.83Å; F1740-L1759 HydrophobicContact CB-CD1 4.28Å; F1740-L1759 HydrophobicContact CD1-CD1 3.67Å; F1740-L1759 HydrophobicContact CE1-CD1 4.43Å; F1740-L1759 HydrophobicContact CG-CD1 4.31Å; M1742-L1759 HydrophobicContact CB-CD2 4.2Å; M1742-L1759 HydrophobicContact CG-CD2 4.24Å; M1742-L1759 HydrophobicContact SD-CD2 3.59Å; M1742-L1759 VanDerWaalsContact SD-CD2 3.59Å; E1755-L1759 PolarHBondContact O-N 2.77Å; E1755-L1759 VanDerWaalsContact O-N 3.08Å; F1756-L1759 PolarHBondContact O-N 2.85Å; L1759-D1762 PolarHBondContact O-N 2.77Å; L1759-Y1763 WeakPolarHBondContact O-CB 3.44Å; L1759-Y1763 PolarHBondContact O-N 2.85Å; L1759-F1791 HydrophobicContact CD2-CD2 4.45Å; L1759-F1791 HydrophobicContact CD2-CE2 4.22Å |
| 1760 | M | 93.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.9 | -45.4 | -178 | -143.9 | 50.2 | 39.4 | 0 | 0 | 111.4 | F1756 Q1757 T1758 D1762 Y1763 R1764 F1791 D1795 F1837 | F1756-M1760 HydrophobicContact CD1-CE 4.37Å; F1756-M1760 HydrophobicContact CD2-CE 4.44Å; F1756-M1760 HydrophobicContact CE1-CE 3.73Å; F1756-M1760 HydrophobicContact CE2-CE 3.79Å; F1756-M1760 HydrophobicContact CZ-CE 3.4Å; F1756-M1760 WeakPolarHBondContact O-CB 3.28Å; F1756-M1760 PolarHBondContact O-N 3.36Å; Q1757-M1760 PolarHBondContact O-N 2.92Å; T1758-M1760 VanDerWaalsContact C-N 3.25Å; T1758-M1760 PolarHBondContact O-N 3.25Å; M1760-D1762 PolarHBondContact O-N 3.46Å; M1760-Y1763 PolarHBondContact O-N 2.91Å; M1760-Y1763 HydrophobicContact SD-CD1 4.06Å; M1760-R1764 WeakPolarHBondContact O-CB 3.48Å; M1760-R1764 WeakPolarHBondContact O-CG 3.39Å; M1760-R1764 PolarHBondContact O-N 3.19Å; M1760-F1791 HydrophobicContact CE-CD2 3.43Å; M1760-F1791 VanDerWaalsContact CE-CD2 3.43Å; M1760-F1791 HydrophobicContact CE-CE2 3.19Å; M1760-F1791 HydrophobicContact CE-CG 4.38Å; M1760-F1791 HydrophobicContact CE-CZ 4.01Å; M1760-F1791 HydrophobicContact SD-CD2 4.22Å; M1760-F1791 HydrophobicContact SD-CE2 3.7Å; M1760-F1791 HydrophobicContact SD-CZ 3.87Å; M1760-D1795 HydrophobicContact SD-CB 4.34Å; M1760-F1837 HydrophobicContact CG-CZ 4.24Å |
| 1761 | K | 91.2 | Very high | 88.8 | Confident | 115 Ų | 115 | 51.1 Ų | 51.1 | 50% | 0.5 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -56.6 | -52.1 | 177.3 | -174.3 | -166.2 | 171.8 | -157.1 | 0 | 111.6 | Q1757 T1758 Y1763 R1764 E1765 | Q1757-K1761 WeakPolarHBondContact O-CB 3.26Å; Q1757-K1761 PolarHBondContact O-N 2.83Å; T1758-K1761 PolarHBondContact O-N 3.49Å; K1761-Y1763 PolarHBondContact O-N 2.98Å; K1761-R1764 PolarHBondContact O-N 2.74Å; K1761-E1765 VanDerWaalsContact CE-OE1 3.29Å; K1761-E1765 WeakPolarHBondContact CE-OE1 3.27Å; K1761-E1765 IonicContact NZ-OE1 3.76Å; K1761-E1765 PolarHBondContact O-N 2.85Å |
| 1762 | D | 92.8 | Very high | 88.4 | Confident | 39 Ų | 39 | 52.7 Ų | 52.7 | 21% | 0.209 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.9 | -38.1 | -175.3 | -59 | -23.5 | 0 | 0 | 0 | 111.2 | Y1714 F1740 T1758 L1759 M1760 L1766 | Y1714-D1762 HydrophobicContact CE1-CB 4.37Å; Y1714-D1762 VanDerWaalsContact OH-CB 3.23Å; Y1714-D1762 WeakPolarHBondContact OH-CB 3.34Å; Y1714-D1762 PolarHBondContact OH-OD2 3.39Å; F1740-D1762 HydrophobicContact CE1-CB 4.44Å; T1758-D1762 PolarHBondContact O-N 2.86Å; L1759-D1762 PolarHBondContact O-N 2.77Å; M1760-D1762 PolarHBondContact O-N 3.46Å; D1762-L1766 PolarHBondContact O-N 2.98Å |
| 1763 | Y | 95.1 | Very high | 87.7 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 0% | 0.004 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.9 | -46.5 | 169.8 | 162 | -99.8 | 0 | 0 | 0 | 112 | I1665 V1667 L1759 M1760 K1761 L1766 K1767 T1777 F1791 D1795 | I1665-Y1763 HydrophobicContact CD1-CE2 4.41Å; I1665-Y1763 HydrophobicContact CG2-CD2 4.2Å; I1665-Y1763 HydrophobicContact CG2-CE2 4.05Å; V1667-Y1763 HydrophobicContact CG2-CD2 4.13Å; V1667-Y1763 HydrophobicContact CG2-CE2 4.16Å; L1759-Y1763 WeakPolarHBondContact O-CB 3.44Å; L1759-Y1763 PolarHBondContact O-N 2.85Å; M1760-Y1763 PolarHBondContact O-N 2.91Å; M1760-Y1763 HydrophobicContact SD-CD1 4.06Å; K1761-Y1763 PolarHBondContact O-N 2.98Å; Y1763-L1766 PolarHBondContact O-N 3.12Å; Y1763-K1767 HydrophobicContact CE2-CB 4.34Å; Y1763-K1767 HydrophobicContact CE2-CD 4.46Å; Y1763-K1767 WeakPolarHBondContact O-CB 3.49Å; Y1763-K1767 PolarHBondContact O-N 2.78Å; Y1763-T1777 HydrophobicContact CE2-CG2 3.72Å; Y1763-T1777 PolarHBondContact OH-OG1 3.09Å; Y1763-F1791 HydrophobicContact CD1-CE1 4.45Å; Y1763-F1791 AromaticContact CD1-CZ 3.72Å; Y1763-F1791 HydrophobicContact CD1-CZ 3.72Å; Y1763-F1791 HydrophobicContact CD2-CZ 4.08Å; Y1763-F1791 HydrophobicContact CE1-CE1 4.09Å; Y1763-F1791 AromaticContact CE1-CZ 3.82Å; Y1763-F1791 HydrophobicContact CE1-CZ 3.82Å; Y1763-F1791 HydrophobicContact CE2-CE1 4.48Å; Y1763-F1791 HydrophobicContact CE2-CZ 4.17Å; Y1763-F1791 AromaticContact CG-CZ 3.85Å; Y1763-F1791 HydrophobicContact CG-CZ 3.85Å; Y1763-D1795 HydrophobicContact CE1-CB 4.43Å; Y1763-D1795 PolarHBondContact OH-OD2 3.18Å |
| 1764 | R | 92.5 | Very high | 87.2 | Confident | 26 Ų | 26 | 54.8 Ų | 54.8 | 10% | 0.098 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.7 | -43 | -180 | -69.4 | -65.2 | -69.5 | 168.8 | -1.9 | 111.5 | M1760 K1761 L1766 K1767 C1768 D1795 Q1798 E1802 | M1760-R1764 WeakPolarHBondContact O-CB 3.48Å; M1760-R1764 WeakPolarHBondContact O-CG 3.39Å; M1760-R1764 PolarHBondContact O-N 3.19Å; K1761-R1764 PolarHBondContact O-N 2.74Å; R1764-L1766 VanDerWaalsContact C-N 3.35Å; R1764-L1766 PolarHBondContact O-N 2.87Å; R1764-K1767 PolarHBondContact O-N 2.85Å; R1764-C1768 VanDerWaalsContact O-CB 3.32Å; R1764-C1768 WeakPolarHBondContact O-CB 3.48Å; R1764-C1768 PolarHBondContact O-N 2.75Å; R1764-C1768 PolarHBondContact O-SG 2.83Å; R1764-D1795 WeakPolarHBondContact CD-OD1 3.38Å; R1764-D1795 IonicContact CZ-OD1 2.74Å; R1764-D1795 IonicContact NE-OD1 3.82Å; R1764-D1795 IonicContact NH1-OD1 2.7Å; R1764-D1795 PolarHBondContact NH1-OD1 2.83Å; R1764-D1795 IonicContact NH1-OD2 3.6Å; R1764-Q1798 HydrophobicContact CG-CG 4.3Å; R1764-E1802 IonicContact CZ-OE2 3.96Å; R1764-E1802 IonicContact NE-OE1 2.74Å; R1764-E1802 IonicContact NE-OE2 3.5Å; R1764-E1802 IonicContact NH2-OE2 2.73Å; R1764-E1802 PolarHBondContact NH2-OE2 2.62Å |
| 1765 | E | 89.9 | Confident | 87 | Confident | 122 Ų | 122 | 51.6 Ų | 51.6 | 57% | 0.57 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -58.1 | -47.3 | 175.3 | -81.6 | -177.5 | -174.2 | 0 | 0 | 111 | K1761 | K1761-E1765 VanDerWaalsContact CE-OE1 3.29Å; K1761-E1765 WeakPolarHBondContact CE-OE1 3.27Å; K1761-E1765 IonicContact NZ-OE1 3.76Å; K1761-E1765 PolarHBondContact O-N 2.85Å |
| 1766 | L | 91.4 | Very high | 87.1 | Confident | 46 Ų | 46 | 50.4 Ų | 50.4 | 24% | 0.241 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.9 | -45.8 | 175.7 | -170 | 76.6 | 0 | 0 | 0 | 111.7 | I1665 V1738 F1740 D1762 Y1763 R1764 C1768 G1769 Y1772 | I1665-L1766 HydrophobicContact CD1-CD2 3.94Å; I1665-L1766 HydrophobicContact CD1-CG 4.35Å; I1665-L1766 HydrophobicContact CG1-CD2 4.28Å; V1738-L1766 HydrophobicContact CB-CD2 4.1Å; V1738-L1766 HydrophobicContact CG1-CD2 3.81Å; V1738-L1766 HydrophobicContact CG2-CD2 4.27Å; F1740-L1766 HydrophobicContact CE2-CD2 3.58Å; F1740-L1766 HydrophobicContact CZ-CB 4.39Å; F1740-L1766 HydrophobicContact CZ-CD2 4.03Å; D1762-L1766 PolarHBondContact O-N 2.98Å; Y1763-L1766 PolarHBondContact O-N 3.12Å; R1764-L1766 VanDerWaalsContact C-N 3.35Å; R1764-L1766 PolarHBondContact O-N 2.87Å; L1766-C1768 VanDerWaalsContact C-N 3.27Å; L1766-C1768 PolarHBondContact O-N 3Å; L1766-G1769 WeakPolarHBondContact O-CA 3.09Å; L1766-G1769 PolarHBondContact O-N 2.96Å; L1766-Y1772 HydrophobicContact CD1-CD2 4.18Å; L1766-Y1772 HydrophobicContact CD1-CE2 3.73Å; L1766-Y1772 HydrophobicContact CG-CD2 4.04Å; L1766-Y1772 HydrophobicContact CG-CE2 4.04Å; L1766-Y1772 HydrophobicContact CG-CG 4.38Å; L1766-Y1772 VanDerWaalsContact O-CD2 3.29Å; L1766-Y1772 WeakPolarHBondContact O-CD2 3.31Å |
| 1767 | K | 91.5 | Very high | 87.3 | Confident | 22 Ų | 22 | 50.4 Ų | 50.4 | 10% | 0.096 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.9 | -36.4 | -177.3 | -176.8 | 63.2 | 179.1 | -171.6 | 0 | 112.3 | I1665 Y1763 R1764 G1769 Y1772 R1773 S1775 T1777 | I1665-K1767 HydrophobicContact CD1-CB 4.37Å; I1665-K1767 HydrophobicContact CD1-CD 3.94Å; Y1763-K1767 HydrophobicContact CE2-CB 4.34Å; Y1763-K1767 HydrophobicContact CE2-CD 4.46Å; Y1763-K1767 WeakPolarHBondContact O-CB 3.49Å; Y1763-K1767 PolarHBondContact O-N 2.78Å; R1764-K1767 PolarHBondContact O-N 2.85Å; K1767-G1769 PolarHBondContact O-N 2.9Å; K1767-Y1772 PolarHBondContact NZ-O 2.87Å; K1767-R1773 WeakPolarHBondContact O-CA 3.47Å; K1767-R1773 PolarHBondContact O-N 2.88Å; K1767-S1775 PolarHBondContact NZ-O 2.87Å; K1767-T1777 WeakPolarHBondContact CE-OG1 3.25Å; K1767-T1777 PolarHBondContact NZ-OG1 2.94Å |
| 1768 | C | 83.5 | Confident | 87.6 | Confident | 67 Ų | 67 | 47.4 Ų | 47.4 | 45% | 0.453 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -69.4 | -16.9 | 176.1 | -76.4 | 0 | 0 | 0 | 0 | 113.2 | R1764 L1766 | R1764-C1768 VanDerWaalsContact O-CB 3.32Å; R1764-C1768 WeakPolarHBondContact O-CB 3.48Å; R1764-C1768 PolarHBondContact O-N 2.75Å; R1764-C1768 PolarHBondContact O-SG 2.83Å; L1766-C1768 VanDerWaalsContact C-N 3.27Å; L1766-C1768 PolarHBondContact O-N 3Å |
| 1769 | G | 79.7 | Confident | 88 | Confident | 28 Ų | 28 | 44.2 Ų | 44.2 | 29% | 0.289 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -61.6 | 141.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1766 K1767 S1771 Y1772 R1773 | L1766-G1769 WeakPolarHBondContact O-CA 3.09Å; L1766-G1769 PolarHBondContact O-N 2.96Å; K1767-G1769 PolarHBondContact O-N 2.9Å; G1769-S1771 VanDerWaalsContact C-N 3.3Å; G1769-S1771 PolarHBondContact O-N 2.84Å; G1769-Y1772 PolarHBondContact O-N 2.93Å; G1769-R1773 PolarHBondContact O-N 2.88Å |
| 1770 | E | 68.1 | Low | 88.2 | Confident | 81 Ų | 81 | 44.2 Ų | 44.2 | 38% | 0.379 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -36 | -167.9 | -66 | -169 | 137 | 0 | 0 | 114.7 | Y995 K1008 R1042 Y1772 | Y995-E1770 VanDerWaalsContact CE1-OE1 3.23Å; Y995-E1770 WeakPolarHBondContact CE1-OE1 2.86Å; Y995-E1770 PolarHBondContact OH-OE1 2.88Å; K1008-E1770 IonicContact NZ-OE1 3.15Å; K1008-E1770 PolarHBondContact NZ-OE1 3.19Å; R1042-E1770 IonicContact CZ-OE1 3.44Å; R1042-E1770 IonicContact NH1-OE1 2.76Å; R1042-E1770 PolarHBondContact NH1-OE1 2.85Å; E1770-Y1772 PolarHBondContact O-N 2.9Å |
| 1771 | S | 74.7 | Confident | 88.2 | Confident | 97 Ų | 97 | 44.5 Ų | 44.5 | 68% | 0.678 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -18.2 | 178.3 | -46.6 | 0 | 0 | 0 | 0 | 113.4 | G1769 | G1769-S1771 VanDerWaalsContact C-N 3.3Å; G1769-S1771 PolarHBondContact O-N 2.84Å |
| 1772 | Y | 81.5 | Confident | 88.3 | Confident | 38 Ų | 38 | 39.7 Ų | 39.7 | 15% | 0.149 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.8 | -22 | -173.2 | -52.4 | -78.6 | 0 | 0 | 0 | 113.6 | T1664 I1665 V1738 L1766 K1767 G1769 E1770 Y1774 S1775 | T1664-Y1772 WeakPolarHBondContact OG1-CD1 3.46Å; I1665-Y1772 HydrophobicContact CD1-CD1 3.95Å; I1665-Y1772 HydrophobicContact CD1-CG 4.03Å; I1665-Y1772 HydrophobicContact CG1-CD1 3.7Å; I1665-Y1772 HydrophobicContact CG1-CE1 4.46Å; I1665-Y1772 HydrophobicContact CG1-CG 4.3Å; V1738-Y1772 HydrophobicContact CG2-CE1 3.88Å; L1766-Y1772 HydrophobicContact CD1-CD2 4.18Å; L1766-Y1772 HydrophobicContact CD1-CE2 3.73Å; L1766-Y1772 HydrophobicContact CG-CD2 4.04Å; L1766-Y1772 HydrophobicContact CG-CE2 4.04Å; L1766-Y1772 HydrophobicContact CG-CG 4.38Å; L1766-Y1772 VanDerWaalsContact O-CD2 3.29Å; L1766-Y1772 WeakPolarHBondContact O-CD2 3.31Å; K1767-Y1772 PolarHBondContact NZ-O 2.87Å; G1769-Y1772 PolarHBondContact O-N 2.93Å; E1770-Y1772 PolarHBondContact O-N 2.9Å; Y1772-Y1774 VanDerWaalsContact C-N 3.33Å; Y1772-Y1774 PolarHBondContact O-N 3.1Å; Y1772-S1775 PolarHBondContact O-N 2.88Å |
| 1773 | R | 76.3 | Confident | 88.2 | Confident | 114 Ų | 114 | 38.4 Ų | 38.4 | 43% | 0.43 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -38.7 | -169.7 | -173 | 170.7 | -178.8 | 156.5 | -0.8 | 115.1 | K1767 G1769 | K1767-R1773 WeakPolarHBondContact O-CA 3.47Å; K1767-R1773 PolarHBondContact O-N 2.88Å; G1769-R1773 PolarHBondContact O-N 2.88Å |
| 1774 | Y | 80.4 | Confident | 88.2 | Confident | 109 Ų | 109 | 38.3 Ų | 38.3 | 43% | 0.427 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | -9.9 | -175.4 | -60.3 | -60 | 0 | 0 | 0 | 114.7 | G1040 R1042 Y1772 | G1040-Y1774 VanDerWaalsContact O-CE1 3.22Å; G1040-Y1774 WeakPolarHBondContact O-CE1 3.45Å; G1040-Y1774 PolarHBondContact O-OH 2.84Å; R1042-Y1774 WeakPolarHBondContact CG-OH 3.43Å; R1042-Y1774 VanDerWaalsContact CZ-CE2 3.49Å; R1042-Y1774 PolarHBondContact NE-OH 2.91Å; Y1772-Y1774 VanDerWaalsContact C-N 3.33Å; Y1772-Y1774 PolarHBondContact O-N 3.1Å |
| 1775 | S | 87.2 | Confident | 88.4 | Confident | 9 Ų | 9 | 37.1 Ų | 37.1 | 6% | 0.063 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -73.5 | 140.4 | 176.3 | 177.4 | 0 | 0 | 0 | 0 | 109.4 | N1662 I1663 T1664 K1767 Y1772 | N1662-S1775 PolarHBondContact O-OG 3.01Å; I1663-S1775 WeakPolarHBondContact CA-OG 3.24Å; T1664-S1775 PolarHBondContact N-OG 2.74Å; T1664-S1775 WeakPolarHBondContact OG1-CB 3.47Å; T1664-S1775 PolarHBondContact OG1-OG 2.76Å; K1767-S1775 PolarHBondContact NZ-O 2.87Å; Y1772-S1775 PolarHBondContact O-N 2.88Å |
| 1776 | P | 93.1 | Very high | 88.5 | Confident | 14 Ų | 14 | 31.5 Ų | 31.5 | 9% | 0.091 | 17% | 0.17 | C | C | . | . | P | Polyproline II helix | trans | -66.5 | 138.4 | 168.7 | 25.3 | -30.3 | 0 | 0 | 0 | 110.5 | I1638 A1639 I1641 Q1661 I1663 | I1638-P1776 HydrophobicContact CG2-CB 3.82Å; I1638-P1776 HydrophobicContact CG2-CG 4.39Å; A1639-P1776 WeakPolarHBondContact O-CA 3.47Å; I1641-P1776 HydrophobicContact CD1-CG 4.42Å; Q1661-P1776 WeakPolarHBondContact O-CG 3.41Å; I1663-P1776 HydrophobicContact CG1-CG 4.37Å |
| 1777 | T | 96.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 124.8 | 174.5 | -59.6 | 0 | 0 | 0 | 0 | 109.2 | A1639 Y1640 I1641 I1665 V1667 Y1763 K1767 V1779 | A1639-T1777 PolarHBondContact O-N 2.89Å; Y1640-T1777 CarbonylContact C-O 3.57Å; Y1640-T1777 VanDerWaalsContact CA-O 3.26Å; Y1640-T1777 WeakPolarHBondContact CA-O 2.95Å; Y1640-T1777 WeakPolarHBondContact CB-O 2.98Å; I1641-T1777 PolarHBondContact N-O 3.46Å; I1665-T1777 HydrophobicContact CB-CG2 4.34Å; I1665-T1777 HydrophobicContact CG2-CG2 4.09Å; V1667-T1777 HydrophobicContact CG2-CG2 3.74Å; Y1763-T1777 HydrophobicContact CE2-CG2 3.72Å; Y1763-T1777 PolarHBondContact OH-OG1 3.09Å; K1767-T1777 WeakPolarHBondContact CE-OG1 3.25Å; K1767-T1777 PolarHBondContact NZ-OG1 2.94Å; T1777-V1779 HydrophobicContact CG2-CG2 3.84Å |
| 1778 | L | 98 | Very high | 88.9 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 119.2 | 170.6 | 179.2 | 63.9 | 0 | 0 | 0 | 108.9 | I1641 F1654 M1657 I1658 I1663 I1665 I1666 V1667 | I1641-L1778 HydrophobicContact CB-CD1 3.81Å; I1641-L1778 HydrophobicContact CG2-CD1 3.48Å; I1641-L1778 VanDerWaalsContact CG2-CD1 3.48Å; F1654-L1778 HydrophobicContact CE1-CD2 4.03Å; F1654-L1778 HydrophobicContact CE2-CD2 3.84Å; F1654-L1778 HydrophobicContact CZ-CD2 3.42Å; F1654-L1778 VanDerWaalsContact CZ-CD2 3.42Å; F1654-L1778 HydrophobicContact CZ-CG 4.44Å; M1657-L1778 HydrophobicContact CE-CD1 3.68Å; M1657-L1778 HydrophobicContact CE-CD2 4.07Å; I1658-L1778 HydrophobicContact CD1-CD2 3.76Å; I1658-L1778 HydrophobicContact CG1-CD2 3.71Å; I1663-L1778 HydrophobicContact CD1-CB 3.77Å; I1663-L1778 HydrophobicContact CD1-CD1 4.23Å; I1663-L1778 HydrophobicContact CD1-CD2 4.16Å; I1663-L1778 HydrophobicContact CD1-CG 4.29Å; I1663-L1778 HydrophobicContact CG1-CB 4.43Å; I1663-L1778 HydrophobicContact CG2-CB 3.7Å; I1665-L1778 PolarHBondContact O-N 2.89Å; I1666-L1778 CarbonylContact C-O 3.47Å; I1666-L1778 WeakPolarHBondContact CA-O 3.44Å; I1666-L1778 HydrophobicContact CG1-CB 4.47Å; I1666-L1778 HydrophobicContact CG1-CD2 4.15Å; I1666-L1778 HydrophobicContact CG2-CD2 4.18Å; I1666-L1778 HydrophobicContact CG2-CG 4.41Å; V1667-L1778 PolarHBondContact N-O 2.87Å |
| 1779 | V | 98.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 124.9 | 176.9 | -170.4 | 0 | 0 | 0 | 0 | 108 | Y1640 I1641 A1642 S1643 V1667 L1669 T1777 T1788 F1791 I1792 | Y1640-V1779 HydrophobicContact CD1-CG2 4.36Å; I1641-V1779 PolarHBondContact O-N 3.23Å; A1642-V1779 WeakPolarHBondContact CA-O 3.44Å; S1643-V1779 PolarHBondContact N-O 3.49Å; V1667-V1779 HydrophobicContact CB-CG1 4.23Å; V1667-V1779 HydrophobicContact CB-CG2 4.26Å; V1667-V1779 HydrophobicContact CG1-CG1 4.41Å; V1667-V1779 WeakPolarHBondContact O-CA 3.42Å; L1669-V1779 HydrophobicContact CD1-CG1 3.71Å; L1669-V1779 HydrophobicContact CG-CG1 4.49Å; T1777-V1779 HydrophobicContact CG2-CG2 3.84Å; V1779-T1788 HydrophobicContact CB-CG2 3.9Å; V1779-T1788 HydrophobicContact CG1-CG2 3.78Å; V1779-T1788 VanDerWaalsContact O-CG2 3.32Å; V1779-T1788 WeakPolarHBondContact O-CG2 3.29Å; V1779-F1791 HydrophobicContact CG1-CB 4.2Å; V1779-F1791 HydrophobicContact CG1-CD1 3.94Å; V1779-F1791 HydrophobicContact CG1-CG 4.19Å; V1779-F1791 HydrophobicContact CG2-CD1 3.85Å; V1779-F1791 HydrophobicContact CG2-CE1 4.03Å; V1779-I1792 HydrophobicContact CB-CD1 4.37Å; V1779-I1792 HydrophobicContact CB-CG1 4.42Å; V1779-I1792 HydrophobicContact CG2-CD1 4.4Å; V1779-I1792 HydrophobicContact CG2-CG1 4.09Å |
| 1780 | H | 97.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 155.3 | 174.9 | 82.9 | 94 | 0 | 0 | 0 | 111.8 | S1643 V1667 M1668 L1669 Y1683 T1788 | S1643-H1780 WeakPolarHBondContact O-CA 3.45Å; S1643-H1780 WeakPolarHBondContact O-CB 3.22Å; V1667-H1780 PolarHBondContact O-N 3Å; M1668-H1780 WeakPolarHBondContact CB-NE2 3.44Å; M1668-H1780 VanDerWaalsContact CG-CE1 3.49Å; M1668-H1780 WeakPolarHBondContact CG-CE1 3.43Å; M1668-H1780 WeakPolarHBondContact CG-NE2 3.3Å; L1669-H1780 PolarHBondContact N-O 3.25Å; Y1683-H1780 AromaticContact CE1-CE1 3.82Å; Y1683-H1780 AromaticContact CE1-NE2 3.65Å; Y1683-H1780 AromaticContact CZ-NE2 3.64Å; Y1683-H1780 PolarHBondContact OH-NE2 3.04Å; H1780-T1788 WeakPolarHBondContact CA-OG1 3.26Å |
| 1781 | C | 93 | Very high | 91.7 | Very high | 6 Ų | 6 | 20.3 Ų | 20.3 | 4% | 0.041 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -131.8 | -134.6 | 167.8 | 56.6 | 0 | 0 | 0 | 0 | 106.1 | A1645 L1669 G1784 R1787 T1788 | A1645-C1781 WeakPolarHBondContact CA-O 3.41Å; A1645-C1781 WeakPolarHBondContact CB-O 3.33Å; A1645-C1781 PolarHBondContact N-O 2.78Å; A1645-C1781 VanDerWaalsContact N-O 3.14Å; L1669-C1781 HydrophobicContact CB-CB 4.2Å; C1781-G1784 PolarHBondContact SG-N 3.2Å; C1781-R1787 HydrophobicContact CB-CB 3.94Å; C1781-R1787 HydrophobicContact CB-CG 4.42Å; C1781-T1788 PolarHBondContact N-OG1 2.6Å; C1781-T1788 PolarHBondContact SG-OG1 3.06Å |
| 1782 | T | 93.1 | Very high | 92.8 | Very high | 14 Ų | 14 | 15.7 Ų | 15.7 | 9% | 0.086 | 7% | 0.07 | C | C | . | . | S | Bend | trans | -74.2 | -58.9 | 172.6 | -37.8 | 0 | 0 | 0 | 0 | 111.6 | F1587 A1645 K1679 | F1587-T1782 HydrophobicContact CE2-CG2 3.79Å; F1587-T1782 HydrophobicContact CZ-CG2 3.72Å; A1645-T1782 PolarHBondContact N-O 3.48Å; K1679-T1782 HydrophobicContact CB-CG2 4.09Å; K1679-T1782 HydrophobicContact CD-CG2 3.87Å; K1679-T1782 WeakPolarHBondContact O-CG2 3.48Å |
| 1783 | A | 92.2 | Very high | 93.6 | Very high | 12 Ų | 12 | 13.9 Ų | 13.9 | 10% | 0.099 | 6% | 0.063 | C | C | . | . | S | Bend | trans | -100.9 | -13.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | F1587 I1590 V1785 R1821 | F1587-A1783 HydrophobicContact CD2-CB 3.66Å; F1587-A1783 HydrophobicContact CE2-CB 3.62Å; I1590-A1783 HydrophobicContact CB-CB 4.48Å; I1590-A1783 HydrophobicContact CG1-CB 4.24Å; I1590-A1783 HydrophobicContact CG2-CB 4.18Å; A1783-V1785 HydrophobicContact CB-CG2 4.09Å; A1783-R1821 PolarHBondContact O-NH2 2.82Å |
| 1784 | G | 94.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 4% | 0.042 | C | C | . | . | S | Bend | trans | 78.2 | 28.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | S1643 C1781 T1788 R1821 | S1643-G1784 WeakPolarHBondContact O-CA 3.28Å; C1781-G1784 PolarHBondContact SG-N 3.2Å; G1784-T1788 WeakPolarHBondContact CA-OG1 3.41Å; G1784-R1821 WeakPolarHBondContact O-CD 3.16Å; G1784-R1821 PolarHBondContact O-NE 2.84Å; G1784-R1821 VanDerWaalsContact O-NE 3.08Å |
| 1785 | V | 95.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 3.4 Ų | 3.4 | 0% | 0 | 2% | 0.022 | C | C | . | . | S | Bend | trans | -132.6 | -48.1 | -175.4 | -59.7 | 0 | 0 | 0 | 0 | 114.1 | I1590 A1783 G1789 R1821 P1822 M1824 V1825 Q1826 | I1590-V1785 HydrophobicContact CD1-CG2 4.29Å; I1590-V1785 HydrophobicContact CG2-CG1 3.64Å; I1590-V1785 HydrophobicContact CG2-CG2 4.46Å; A1783-V1785 HydrophobicContact CB-CG2 4.09Å; V1785-G1789 WeakPolarHBondContact O-CA 3.23Å; V1785-G1789 PolarHBondContact O-N 2.89Å; V1785-R1821 HydrophobicContact CG1-CG 4.25Å; V1785-P1822 WeakPolarHBondContact CG1-O 3.3Å; V1785-M1824 HydrophobicContact CB-SD 4.31Å; V1785-M1824 HydrophobicContact CG1-SD 4.34Å; V1785-M1824 WeakPolarHBondContact O-CA 3.43Å; V1785-V1825 PolarHBondContact O-N 2.92Å; V1785-Q1826 HydrophobicContact CG2-CB 4.41Å |
| 1786 | G | 93.4 | Very high | 95.7 | Very high | 4 Ų | 4 | 3.3 Ų | 3.3 | 4% | 0.041 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -74.2 | -81.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | T1788 G1789 T1790 | G1786-T1788 VanDerWaalsContact C-N 3.27Å; G1786-T1788 PolarHBondContact O-N 3.27Å; G1786-G1789 PolarHBondContact O-N 2.79Å; G1786-T1790 PolarHBondContact O-N 3.26Å; G1786-T1790 PolarHBondContact O-OG1 3.41Å |
| 1787 | R | 94.1 | Very high | 95.8 | Very high | 10 Ų | 10 | 2.7 Ų | 2.7 | 4% | 0.038 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -58.8 | -41.8 | 178.1 | -52.8 | -177.2 | -164.9 | 169.1 | 14.6 | 111 | L1669 E1674 W1745 D1747 C1781 G1789 T1790 F1791 | L1669-R1787 HydrophobicContact CB-CB 4Å; L1669-R1787 HydrophobicContact CD1-CB 4.14Å; L1669-R1787 WeakPolarHBondContact CD1-O 3.41Å; L1669-R1787 WeakPolarHBondContact O-CD 3.35Å; L1669-R1787 PolarHBondContact O-NH1 3.28Å; E1674-R1787 VanDerWaalsContact CD-NH2 3.28Å; E1674-R1787 IonicContact OE1-CZ 3.88Å; E1674-R1787 IonicContact OE1-NH1 3.17Å; E1674-R1787 PolarHBondContact OE1-NH1 2.8Å; E1674-R1787 IonicContact OE1-NH2 3.64Å; E1674-R1787 PolarHBondContact OE1-NH2 2.64Å; E1674-R1787 VanDerWaalsContact OE1-NH2 3.09Å; E1674-R1787 IonicContact OE2-CZ 2.7Å; E1674-R1787 IonicContact OE2-NH1 2.65Å; E1674-R1787 IonicContact OE2-NH2 3.99Å; E1674-R1787 PolarHBondContact OE2-NH2 3.08Å; W1745-R1787 HydrophobicContact CD2-CB 4.08Å; W1745-R1787 HydrophobicContact CD2-CG 3.93Å; W1745-R1787 HydrophobicContact CE3-CB 4.11Å; W1745-R1787 HydrophobicContact CE3-CG 4.46Å; W1745-R1787 HydrophobicContact CG-CG 4.31Å; W1745-R1787 HydrophobicContact CH2-CB 3.92Å; W1745-R1787 HydrophobicContact CZ2-CB 3.83Å; W1745-R1787 HydrophobicContact CZ2-CG 3.93Å; W1745-R1787 HydrophobicContact CZ3-CB 4.02Å; W1745-R1787 PolarHBondContact O-NH1 2.91Å; D1747-R1787 IonicContact OD1-CZ 2.7Å; D1747-R1787 IonicContact OD1-NH2 3.8Å; D1747-R1787 PolarHBondContact OD1-NH2 2.64Å; C1781-R1787 HydrophobicContact CB-CB 3.94Å; C1781-R1787 HydrophobicContact CB-CG 4.42Å; R1787-G1789 PolarHBondContact O-N 2.85Å; R1787-T1790 WeakPolarHBondContact O-CB 3.44Å; R1787-T1790 PolarHBondContact O-N 2.86Å; R1787-F1791 PolarHBondContact O-N 3.27Å |
| 1788 | T | 96.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 4.2 Ų | 4.2 | 0% | 0 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -54.5 | -50.2 | 173.9 | -61.8 | 0 | 0 | 0 | 0 | 112.7 | A1642 V1779 H1780 C1781 G1784 G1786 T1790 F1791 I1792 M1824 | A1642-T1788 HydrophobicContact CB-CG2 3.78Å; V1779-T1788 HydrophobicContact CB-CG2 3.9Å; V1779-T1788 HydrophobicContact CG1-CG2 3.78Å; V1779-T1788 VanDerWaalsContact O-CG2 3.32Å; V1779-T1788 WeakPolarHBondContact O-CG2 3.29Å; H1780-T1788 WeakPolarHBondContact CA-OG1 3.26Å; C1781-T1788 PolarHBondContact N-OG1 2.6Å; C1781-T1788 PolarHBondContact SG-OG1 3.06Å; G1784-T1788 WeakPolarHBondContact CA-OG1 3.41Å; G1786-T1788 VanDerWaalsContact C-N 3.27Å; G1786-T1788 PolarHBondContact O-N 3.27Å; T1788-T1790 VanDerWaalsContact C-N 3.32Å; T1788-T1790 PolarHBondContact O-N 2.92Å; T1788-F1791 PolarHBondContact O-N 3.49Å; T1788-I1792 HydrophobicContact CG2-CD1 4.1Å; T1788-I1792 WeakPolarHBondContact O-CG1 3.46Å; T1788-I1792 PolarHBondContact O-N 2.84Å; T1788-M1824 HydrophobicContact CG2-CE 4.24Å |
| 1789 | G | 96.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 6.3 Ų | 6.3 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -66.8 | -36.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V1785 G1786 R1787 F1791 I1792 V1793 | V1785-G1789 WeakPolarHBondContact O-CA 3.23Å; V1785-G1789 PolarHBondContact O-N 2.89Å; G1786-G1789 PolarHBondContact O-N 2.79Å; R1787-G1789 PolarHBondContact O-N 2.85Å; G1789-F1791 PolarHBondContact O-N 2.91Å; G1789-I1792 PolarHBondContact O-N 2.73Å; G1789-V1793 WeakPolarHBondContact O-CG2 3.42Å; G1789-V1793 PolarHBondContact O-N 2.92Å |
| 1790 | T | 96.3 | Very high | 95 | Very high | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -62.5 | -43.6 | 177.2 | -50.4 | 0 | 0 | 0 | 0 | 111.3 | W1745 G1786 R1787 T1788 A1794 Q1830 F1833 L1834 | W1745-T1790 HydrophobicContact CH2-CG2 3.78Å; W1745-T1790 HydrophobicContact CZ2-CG2 4.03Å; G1786-T1790 PolarHBondContact O-N 3.26Å; G1786-T1790 PolarHBondContact O-OG1 3.41Å; R1787-T1790 WeakPolarHBondContact O-CB 3.44Å; R1787-T1790 PolarHBondContact O-N 2.86Å; T1788-T1790 VanDerWaalsContact C-N 3.32Å; T1788-T1790 PolarHBondContact O-N 2.92Å; T1790-A1794 WeakPolarHBondContact O-CB 3.32Å; T1790-A1794 PolarHBondContact O-N 3.11Å; T1790-A1794 VanDerWaalsContact O-N 3.14Å; T1790-Q1830 HydrophobicContact CG2-CB 4.43Å; T1790-Q1830 WeakPolarHBondContact OG1-CB 3.27Å; T1790-F1833 HydrophobicContact CG2-CD1 3.94Å; T1790-F1833 HydrophobicContact CG2-CE1 4.42Å; T1790-L1834 HydrophobicContact CG2-CD2 4.04Å; T1790-L1834 HydrophobicContact CG2-CG 4.1Å; T1790-L1834 WeakPolarHBondContact O-CD2 3.5Å |
| 1791 | F | 97.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -60 | -48.1 | 175 | 179.6 | -82.5 | 0 | 0 | 0 | 112.5 | V1667 L1669 F1756 L1759 M1760 Y1763 V1779 R1787 T1788 G1789 V1793 A1794 D1795 | V1667-F1791 HydrophobicContact CB-CE1 4.49Å; V1667-F1791 HydrophobicContact CB-CZ 4.33Å; V1667-F1791 HydrophobicContact CG1-CD2 3.9Å; V1667-F1791 HydrophobicContact CG1-CE1 4.32Å; V1667-F1791 HydrophobicContact CG1-CE2 3.64Å; V1667-F1791 HydrophobicContact CG1-CG 4.36Å; V1667-F1791 HydrophobicContact CG1-CZ 3.89Å; V1667-F1791 HydrophobicContact CG2-CE1 4.09Å; V1667-F1791 HydrophobicContact CG2-CE2 4.35Å; V1667-F1791 HydrophobicContact CG2-CZ 3.78Å; L1669-F1791 HydrophobicContact CD1-CB 3.61Å; L1669-F1791 HydrophobicContact CD1-CD2 4.42Å; L1669-F1791 HydrophobicContact CD1-CG 4.18Å; L1669-F1791 HydrophobicContact CD2-CD2 4.15Å; F1756-F1791 HydrophobicContact CE2-CD2 4.23Å; F1756-F1791 HydrophobicContact CZ-CD2 4.3Å; L1759-F1791 HydrophobicContact CD2-CD2 4.45Å; L1759-F1791 HydrophobicContact CD2-CE2 4.22Å; M1760-F1791 HydrophobicContact CE-CD2 3.43Å; M1760-F1791 VanDerWaalsContact CE-CD2 3.43Å; M1760-F1791 HydrophobicContact CE-CE2 3.19Å; M1760-F1791 HydrophobicContact CE-CG 4.38Å; M1760-F1791 HydrophobicContact CE-CZ 4.01Å; M1760-F1791 HydrophobicContact SD-CD2 4.22Å; M1760-F1791 HydrophobicContact SD-CE2 3.7Å; M1760-F1791 HydrophobicContact SD-CZ 3.87Å; Y1763-F1791 HydrophobicContact CD1-CE1 4.45Å; Y1763-F1791 AromaticContact CD1-CZ 3.72Å; Y1763-F1791 HydrophobicContact CD1-CZ 3.72Å; Y1763-F1791 HydrophobicContact CD2-CZ 4.08Å; Y1763-F1791 HydrophobicContact CE1-CE1 4.09Å; Y1763-F1791 AromaticContact CE1-CZ 3.82Å; Y1763-F1791 HydrophobicContact CE1-CZ 3.82Å; Y1763-F1791 HydrophobicContact CE2-CE1 4.48Å; Y1763-F1791 HydrophobicContact CE2-CZ 4.17Å; Y1763-F1791 AromaticContact CG-CZ 3.85Å; Y1763-F1791 HydrophobicContact CG-CZ 3.85Å; V1779-F1791 HydrophobicContact CG1-CB 4.2Å; V1779-F1791 HydrophobicContact CG1-CD1 3.94Å; V1779-F1791 HydrophobicContact CG1-CG 4.19Å; V1779-F1791 HydrophobicContact CG2-CD1 3.85Å; V1779-F1791 HydrophobicContact CG2-CE1 4.03Å; R1787-F1791 PolarHBondContact O-N 3.27Å; T1788-F1791 PolarHBondContact O-N 3.49Å; G1789-F1791 PolarHBondContact O-N 2.91Å; F1791-V1793 PolarHBondContact O-N 2.86Å; F1791-A1794 PolarHBondContact O-N 2.89Å; F1791-D1795 PolarHBondContact O-N 2.94Å |
| 1792 | I | 98 | Very high | 94.3 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -64.7 | -41.6 | -176.7 | -66.5 | 168.6 | 0 | 0 | 0 | 111.4 | I1618 Y1640 V1779 T1788 G1789 A1794 D1795 L1796 M1817 M1824 | I1618-I1792 HydrophobicContact CG1-CD1 4.1Å; I1618-I1792 HydrophobicContact CG2-CG2 4.43Å; Y1640-I1792 HydrophobicContact CD1-CG1 4.01Å; Y1640-I1792 HydrophobicContact CD1-CG2 4.47Å; Y1640-I1792 HydrophobicContact CD2-CG1 4.48Å; Y1640-I1792 HydrophobicContact CD2-CG2 3.69Å; Y1640-I1792 HydrophobicContact CE1-CG1 4.47Å; Y1640-I1792 HydrophobicContact CE1-CG2 4.47Å; Y1640-I1792 HydrophobicContact CE2-CG2 3.7Å; Y1640-I1792 HydrophobicContact CG-CD1 4.15Å; Y1640-I1792 HydrophobicContact CG-CG1 4.04Å; Y1640-I1792 HydrophobicContact CG-CG2 4.12Å; V1779-I1792 HydrophobicContact CB-CD1 4.37Å; V1779-I1792 HydrophobicContact CB-CG1 4.42Å; V1779-I1792 HydrophobicContact CG2-CD1 4.4Å; V1779-I1792 HydrophobicContact CG2-CG1 4.09Å; T1788-I1792 HydrophobicContact CG2-CD1 4.1Å; T1788-I1792 WeakPolarHBondContact O-CG1 3.46Å; T1788-I1792 PolarHBondContact O-N 2.84Å; G1789-I1792 PolarHBondContact O-N 2.73Å; I1792-A1794 VanDerWaalsContact C-N 3.34Å; I1792-A1794 PolarHBondContact O-N 3.34Å; I1792-D1795 PolarHBondContact O-N 3.16Å; I1792-L1796 HydrophobicContact CG2-CD1 4.08Å; I1792-L1796 WeakPolarHBondContact O-CG 3.45Å; I1792-L1796 PolarHBondContact O-N 3.23Å; I1792-M1817 HydrophobicContact CB-CE 3.59Å; I1792-M1817 HydrophobicContact CB-SD 4.34Å; I1792-M1817 HydrophobicContact CD1-CE 4.21Å; I1792-M1817 HydrophobicContact CG1-CE 4.5Å; I1792-M1817 HydrophobicContact CG2-CE 3.51Å; I1792-M1817 HydrophobicContact CG2-SD 3.8Å; I1792-M1824 HydrophobicContact CD1-CE 3.9Å |
| 1793 | V | 97.6 | Very high | 94 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -64.3 | -40.8 | 176.7 | -179.9 | 0 | 0 | 0 | 0 | 111.1 | G1789 F1791 L1796 L1797 I1810 I1813 I1814 M1817 V1825 L1834 | G1789-V1793 WeakPolarHBondContact O-CG2 3.42Å; G1789-V1793 PolarHBondContact O-N 2.92Å; F1791-V1793 PolarHBondContact O-N 2.86Å; V1793-L1796 PolarHBondContact O-N 3.14Å; V1793-L1797 HydrophobicContact CG1-CD1 4.11Å; V1793-L1797 HydrophobicContact CG1-CG 4.39Å; V1793-L1797 VanDerWaalsContact O-CG 3.31Å; V1793-L1797 WeakPolarHBondContact O-CG 3.34Å; V1793-L1797 PolarHBondContact O-N 2.93Å; V1793-I1810 HydrophobicContact CG1-CG2 4.28Å; V1793-I1813 HydrophobicContact CG1-CG2 4.26Å; V1793-I1813 HydrophobicContact CG2-CG2 4.18Å; V1793-I1814 HydrophobicContact CG2-CG1 3.75Å; V1793-M1817 HydrophobicContact CG2-CE 4.17Å; V1793-M1817 HydrophobicContact CG2-SD 3.38Å; V1793-M1817 WeakPolarHBondContact CG2-SD 3.3Å; V1793-V1825 HydrophobicContact CG2-CG2 4.05Å; V1793-L1834 HydrophobicContact CB-CD1 3.84Å; V1793-L1834 HydrophobicContact CB-CD2 3.77Å; V1793-L1834 HydrophobicContact CB-CG 4.46Å; V1793-L1834 HydrophobicContact CG1-CD1 3.81Å; V1793-L1834 HydrophobicContact CG1-CD2 3.85Å; V1793-L1834 HydrophobicContact CG1-CG 4.36Å; V1793-L1834 HydrophobicContact CG2-CD1 4.16Å |
| 1794 | A | 97 | Very high | 93.6 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.2 | -42.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F1756 T1790 F1791 I1792 L1797 Q1798 L1834 F1837 | F1756-A1794 HydrophobicContact CE1-CB 3.58Å; F1756-A1794 HydrophobicContact CZ-CB 3.96Å; T1790-A1794 WeakPolarHBondContact O-CB 3.32Å; T1790-A1794 PolarHBondContact O-N 3.11Å; T1790-A1794 VanDerWaalsContact O-N 3.14Å; F1791-A1794 PolarHBondContact O-N 2.89Å; I1792-A1794 VanDerWaalsContact C-N 3.34Å; I1792-A1794 PolarHBondContact O-N 3.34Å; A1794-L1797 PolarHBondContact O-N 2.89Å; A1794-Q1798 PolarHBondContact O-N 2.85Å; A1794-L1834 HydrophobicContact CB-CD2 4.15Å; A1794-F1837 HydrophobicContact CB-CD1 3.97Å; A1794-F1837 HydrophobicContact CB-CE1 3.8Å; A1794-F1837 HydrophobicContact CB-CZ 4.19Å |
| 1795 | D | 96.2 | Very high | 93 | Very high | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.011 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.7 | -44.2 | 174.5 | -174 | 31 | 0 | 0 | 0 | 111.4 | Y1640 M1760 Y1763 R1764 F1791 I1792 L1797 Q1798 I1799 | Y1640-D1795 WeakPolarHBondContact CE1-OD2 3.46Å; Y1640-D1795 VanDerWaalsContact CZ-OD2 3.28Å; Y1640-D1795 PolarHBondContact OH-OD2 2.62Å; M1760-D1795 HydrophobicContact SD-CB 4.34Å; Y1763-D1795 HydrophobicContact CE1-CB 4.43Å; Y1763-D1795 PolarHBondContact OH-OD2 3.18Å; R1764-D1795 WeakPolarHBondContact CD-OD1 3.38Å; R1764-D1795 IonicContact CZ-OD1 2.74Å; R1764-D1795 IonicContact NE-OD1 3.82Å; R1764-D1795 IonicContact NH1-OD1 2.7Å; R1764-D1795 PolarHBondContact NH1-OD1 2.83Å; R1764-D1795 IonicContact NH1-OD2 3.6Å; F1791-D1795 PolarHBondContact O-N 2.94Å; I1792-D1795 PolarHBondContact O-N 3.16Å; D1795-L1797 PolarHBondContact O-N 3.28Å; D1795-Q1798 PolarHBondContact O-N 2.91Å; D1795-I1799 VanDerWaalsContact O-CG1 3.3Å; D1795-I1799 WeakPolarHBondContact O-CG1 3.4Å; D1795-I1799 PolarHBondContact O-N 3.17Å |
| 1796 | L | 95.5 | Very high | 92.5 | Very high | 8 Ų | 8 | 28.6 Ų | 28.6 | 4% | 0.042 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.9 | -43 | 175.7 | -73.1 | 168.7 | 0 | 0 | 0 | 112.6 | I1621 Y1640 I1792 V1793 Q1798 I1799 Y1800 I1813 M1817 | I1621-L1796 HydrophobicContact CB-CD1 4.48Å; I1621-L1796 HydrophobicContact CD1-CD1 3.9Å; Y1640-L1796 HydrophobicContact CE2-CD2 4.33Å; Y1640-L1796 HydrophobicContact CE2-CG 4.42Å; I1792-L1796 HydrophobicContact CG2-CD1 4.08Å; I1792-L1796 WeakPolarHBondContact O-CG 3.45Å; I1792-L1796 PolarHBondContact O-N 3.23Å; V1793-L1796 PolarHBondContact O-N 3.14Å; L1796-Q1798 VanDerWaalsContact C-N 3.27Å; L1796-Q1798 PolarHBondContact O-N 2.82Å; L1796-I1799 HydrophobicContact CD2-CD1 4.23Å; L1796-I1799 WeakPolarHBondContact O-CB 3.44Å; L1796-I1799 PolarHBondContact O-N 3.25Å; L1796-Y1800 HydrophobicContact CD2-CE1 4.41Å; L1796-Y1800 WeakPolarHBondContact O-CB 2.99Å; L1796-Y1800 WeakPolarHBondContact O-CD1 3.24Å; L1796-Y1800 PolarHBondContact O-N 2.87Å; L1796-I1813 HydrophobicContact CD1-CG2 3.6Å; L1796-M1817 HydrophobicContact CD1-SD 4.38Å |
| 1797 | L | 94.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.3 | -39 | 176.2 | -71.1 | 167.7 | 0 | 0 | 0 | 111.8 | V1793 A1794 D1795 Y1800 K1801 Y1808 I1810 I1813 A1838 L1841 F1842 | V1793-L1797 HydrophobicContact CG1-CD1 4.11Å; V1793-L1797 HydrophobicContact CG1-CG 4.39Å; V1793-L1797 VanDerWaalsContact O-CG 3.31Å; V1793-L1797 WeakPolarHBondContact O-CG 3.34Å; V1793-L1797 PolarHBondContact O-N 2.93Å; A1794-L1797 PolarHBondContact O-N 2.89Å; D1795-L1797 PolarHBondContact O-N 3.28Å; L1797-Y1800 PolarHBondContact O-N 3.29Å; L1797-K1801 WeakPolarHBondContact O-CB 3.18Å; L1797-K1801 PolarHBondContact O-N 2.84Å; L1797-Y1808 HydrophobicContact CD2-CD1 4.16Å; L1797-I1810 HydrophobicContact CD1-CD1 4.1Å; L1797-I1810 HydrophobicContact CD1-CG1 4.13Å; L1797-I1810 HydrophobicContact CD2-CG1 3.93Å; L1797-I1813 HydrophobicContact CD2-CD1 4.19Å; L1797-A1838 HydrophobicContact CD1-CB 4.1Å; L1797-L1841 HydrophobicContact CB-CD2 4.2Å; L1797-F1842 HydrophobicContact CD2-CZ 4.39Å |
| 1798 | Q | 92.9 | Very high | 92.1 | Very high | 32 Ų | 32 | 30.8 Ų | 30.8 | 15% | 0.15 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -68 | -42.9 | 175.4 | -170.8 | 139.3 | 13.2 | 0 | 0 | 112.1 | R1764 A1794 D1795 L1796 Y1800 K1801 E1802 L1841 | R1764-Q1798 HydrophobicContact CG-CG 4.3Å; A1794-Q1798 PolarHBondContact O-N 2.85Å; D1795-Q1798 PolarHBondContact O-N 2.91Å; L1796-Q1798 VanDerWaalsContact C-N 3.27Å; L1796-Q1798 PolarHBondContact O-N 2.82Å; Q1798-Y1800 VanDerWaalsContact C-N 3.33Å; Q1798-Y1800 PolarHBondContact O-N 3.41Å; Q1798-K1801 PolarHBondContact O-N 2.87Å; Q1798-E1802 VanDerWaalsContact CG-OE1 3.26Å; Q1798-E1802 WeakPolarHBondContact CG-OE1 3.18Å; Q1798-E1802 WeakPolarHBondContact O-CB 3.31Å; Q1798-E1802 VanDerWaalsContact O-CG 3.29Å; Q1798-E1802 WeakPolarHBondContact O-CG 3.37Å; Q1798-E1802 PolarHBondContact O-N 2.83Å; Q1798-L1841 HydrophobicContact CB-CD2 4.34Å; Q1798-L1841 HydrophobicContact CG-CD1 4.46Å |
| 1799 | I | 91.1 | Very high | 92 | Very high | 44 Ų | 44 | 31.1 Ų | 31.1 | 23% | 0.226 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -55.2 | -49.2 | 172 | -67.8 | 161.3 | 0 | 0 | 0 | 110.7 | D1795 L1796 K1801 E1802 S1803 | D1795-I1799 VanDerWaalsContact O-CG1 3.3Å; D1795-I1799 WeakPolarHBondContact O-CG1 3.4Å; D1795-I1799 PolarHBondContact O-N 3.17Å; L1796-I1799 HydrophobicContact CD2-CD1 4.23Å; L1796-I1799 WeakPolarHBondContact O-CB 3.44Å; L1796-I1799 PolarHBondContact O-N 3.25Å; I1799-K1801 VanDerWaalsContact C-N 3.33Å; I1799-K1801 PolarHBondContact O-N 2.85Å; I1799-E1802 PolarHBondContact O-N 2.98Å; I1799-S1803 VanDerWaalsContact O-CB 3.29Å; I1799-S1803 WeakPolarHBondContact O-CB 3.37Å; I1799-S1803 PolarHBondContact O-N 2.86Å; I1799-S1803 PolarHBondContact O-OG 2.98Å |
| 1800 | Y | 92.6 | Very high | 91.9 | Very high | 8 Ų | 8 | 31.2 Ų | 31.2 | 3% | 0.031 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.6 | -39.7 | -176.8 | -65.6 | -7.5 | 0 | 0 | 0 | 111.3 | I1621 P1623 L1796 L1797 Q1798 S1803 N1804 C1805 I1813 | I1621-Y1800 VanDerWaalsContact C-OH 3.28Å; I1621-Y1800 WeakPolarHBondContact CG2-OH 3.48Å; I1621-Y1800 PolarHBondContact O-OH 3.39Å; P1623-Y1800 HydrophobicContact CB-CD1 3.84Å; P1623-Y1800 HydrophobicContact CB-CD2 3.97Å; P1623-Y1800 HydrophobicContact CB-CE1 3.78Å; P1623-Y1800 HydrophobicContact CB-CE2 3.88Å; P1623-Y1800 HydrophobicContact CB-CG 3.95Å; P1623-Y1800 HydrophobicContact CG-CD1 4.04Å; P1623-Y1800 HydrophobicContact CG-CE1 3.97Å; L1796-Y1800 HydrophobicContact CD2-CE1 4.41Å; L1796-Y1800 WeakPolarHBondContact O-CB 2.99Å; L1796-Y1800 WeakPolarHBondContact O-CD1 3.24Å; L1796-Y1800 PolarHBondContact O-N 2.87Å; L1797-Y1800 PolarHBondContact O-N 3.29Å; Q1798-Y1800 VanDerWaalsContact C-N 3.33Å; Q1798-Y1800 PolarHBondContact O-N 3.41Å; Y1800-S1803 CarbonylContact O-C 3.49Å; Y1800-S1803 PolarHBondContact O-N 2.89Å; Y1800-N1804 PolarHBondContact O-N 3.01Å; Y1800-C1805 VanDerWaalsContact O-CB 3.27Å; Y1800-C1805 WeakPolarHBondContact O-CB 3.47Å; Y1800-C1805 PolarHBondContact O-N 2.85Å; Y1800-I1813 HydrophobicContact CD2-CD1 4.19Å; Y1800-I1813 HydrophobicContact CE2-CD1 3.62Å; Y1800-I1813 HydrophobicContact CE2-CG1 4.07Å |
| 1801 | K | 88.6 | Confident | 91.8 | Very high | 76 Ų | 76 | 31.4 Ų | 31.4 | 33% | 0.33 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -63.2 | -47.4 | 174.8 | 179.5 | 56.1 | 175.9 | 148.4 | 0 | 112.3 | L1797 Q1798 I1799 S1803 N1804 Y1808 L1841 F1842 | L1797-K1801 WeakPolarHBondContact O-CB 3.18Å; L1797-K1801 PolarHBondContact O-N 2.84Å; Q1798-K1801 PolarHBondContact O-N 2.87Å; I1799-K1801 VanDerWaalsContact C-N 3.33Å; I1799-K1801 PolarHBondContact O-N 2.85Å; K1801-S1803 PolarHBondContact O-N 3.03Å; K1801-N1804 PolarHBondContact O-N 2.92Å; K1801-N1804 VanDerWaalsContact O-N 3.16Å; K1801-Y1808 WeakPolarHBondContact CA-OH 3.27Å; K1801-L1841 HydrophobicContact CB-CD2 4.05Å; K1801-L1841 HydrophobicContact CB-CG 4.31Å; K1801-L1841 HydrophobicContact CG-CD1 4.39Å; K1801-L1841 HydrophobicContact CG-CD2 4.44Å; K1801-L1841 HydrophobicContact CG-CG 4.14Å; K1801-F1842 HydrophobicContact CB-CE1 4.43Å; K1801-F1842 HydrophobicContact CD-CD1 4.19Å |
| 1802 | E | 86.6 | Confident | 91.6 | Very high | 99 Ų | 99 | 31.6 Ų | 31.6 | 46% | 0.463 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -64.1 | -29.5 | 177 | -71.8 | 167.5 | -172.5 | 0 | 0 | 112.3 | R1764 Q1798 I1799 N1804 | R1764-E1802 IonicContact CZ-OE2 3.96Å; R1764-E1802 IonicContact NE-OE1 2.74Å; R1764-E1802 IonicContact NE-OE2 3.5Å; R1764-E1802 IonicContact NH2-OE2 2.73Å; R1764-E1802 PolarHBondContact NH2-OE2 2.62Å; Q1798-E1802 VanDerWaalsContact CG-OE1 3.26Å; Q1798-E1802 WeakPolarHBondContact CG-OE1 3.18Å; Q1798-E1802 WeakPolarHBondContact O-CB 3.31Å; Q1798-E1802 VanDerWaalsContact O-CG 3.29Å; Q1798-E1802 WeakPolarHBondContact O-CG 3.37Å; Q1798-E1802 PolarHBondContact O-N 2.83Å; I1799-E1802 PolarHBondContact O-N 2.98Å; E1802-N1804 PolarHBondContact O-N 3.06Å |
| 1803 | S | 85.8 | Confident | 91.4 | Very high | 78 Ų | 78 | 31.6 Ų | 31.6 | 55% | 0.545 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | 9.6 | 177.4 | -52.5 | 0 | 0 | 0 | 0 | 113.5 | I1799 Y1800 K1801 C1805 | I1799-S1803 VanDerWaalsContact O-CB 3.29Å; I1799-S1803 WeakPolarHBondContact O-CB 3.37Å; I1799-S1803 PolarHBondContact O-N 2.86Å; I1799-S1803 PolarHBondContact O-OG 2.98Å; Y1800-S1803 CarbonylContact O-C 3.49Å; Y1800-S1803 PolarHBondContact O-N 2.89Å; K1801-S1803 PolarHBondContact O-N 3.03Å; S1803-C1805 PolarHBondContact O-N 3.13Å |
| 1804 | N | 83.9 | Confident | 91.4 | Very high | 134 Ų | 134 | 31.6 Ų | 31.6 | 72% | 0.717 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 35.3 | -176.3 | -68.1 | -40.8 | 0 | 0 | 0 | 114.1 | Y1800 K1801 E1802 V1806 | Y1800-N1804 PolarHBondContact O-N 3.01Å; K1801-N1804 PolarHBondContact O-N 2.92Å; K1801-N1804 VanDerWaalsContact O-N 3.16Å; E1802-N1804 PolarHBondContact O-N 3.06Å; N1804-V1806 PolarHBondContact O-N 2.99Å |
| 1805 | C | 83.5 | Confident | 91.2 | Very high | 23 Ų | 23 | 32.2 Ų | 32.2 | 16% | 0.155 | 17% | 0.171 | C | C | . | . | trans | -60.6 | 134.7 | 171.3 | -76.1 | 0 | 0 | 0 | 0 | 110.4 | P1623 Y1800 S1803 Y1808 | P1623-C1805 VanDerWaalsContact CB-SG 3.51Å; P1623-C1805 WeakPolarHBondContact CG-SG 3.41Å; Y1800-C1805 VanDerWaalsContact O-CB 3.27Å; Y1800-C1805 WeakPolarHBondContact O-CB 3.47Å; Y1800-C1805 PolarHBondContact O-N 2.85Å; S1803-C1805 PolarHBondContact O-N 3.13Å; C1805-Y1808 WeakPolarHBondContact O-CE2 3.4Å; C1805-Y1808 VanDerWaalsContact O-CZ 3.29Å; C1805-Y1808 PolarHBondContact O-OH 2.72Å | ||
| 1806 | V | 83.7 | Confident | 91.1 | Very high | 82 Ų | 82 | 33.4 Ų | 33.4 | 50% | 0.497 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -83.7 | -31.6 | -179.4 | -178.9 | 0 | 0 | 0 | 0 | 110.9 | T1532 N1804 | T1532-V1806 WeakPolarHBondContact CA-O 3.36Å; T1532-V1806 HydrophobicContact CG2-CG1 4.27Å; N1804-V1806 PolarHBondContact O-N 2.99Å |
| 1807 | Y | 89.2 | Confident | 91.1 | Very high | 57 Ų | 57 | 33 Ų | 33 | 22% | 0.224 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 137.1 | -171.3 | -55.8 | -73.5 | 0 | 0 | 0 | 111.9 | V1531 T1532 T1625 S1626 V1627 | V1531-Y1807 WeakPolarHBondContact O-CA 3.31Å; T1532-Y1807 HydrophobicContact CG2-CD1 4.02Å; T1532-Y1807 HydrophobicContact CG2-CE1 3.79Å; T1625-Y1807 WeakPolarHBondContact O-CE2 3.26Å; S1626-Y1807 VanDerWaalsContact CA-CD2 3.46Å; V1627-Y1807 HydrophobicContact CB-CE1 4.33Å; V1627-Y1807 HydrophobicContact CG1-CD1 3.68Å; V1627-Y1807 HydrophobicContact CG1-CE1 3.18Å |
| 1808 | Y | 91.2 | Very high | 91.1 | Very high | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.016 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 136.1 | -177 | -61 | -95.9 | 0 | 0 | 0 | 110.4 | P1530 V1531 T1533 L1797 K1801 C1805 F1842 | P1530-Y1808 WeakPolarHBondContact CA-O 3.39Å; V1531-Y1808 PolarHBondContact N-O 3.05Å; V1531-Y1808 PolarHBondContact O-N 3.47Å; T1533-Y1808 HydrophobicContact CG2-CD2 4.28Å; T1533-Y1808 HydrophobicContact CG2-CE2 3.64Å; L1797-Y1808 HydrophobicContact CD2-CD1 4.16Å; K1801-Y1808 WeakPolarHBondContact CA-OH 3.27Å; C1805-Y1808 WeakPolarHBondContact O-CE2 3.4Å; C1805-Y1808 VanDerWaalsContact O-CZ 3.29Å; C1805-Y1808 PolarHBondContact O-OH 2.72Å; Y1808-F1842 AromaticContact CD1-CE1 3.76Å; Y1808-F1842 HydrophobicContact CD1-CE1 3.76Å; Y1808-F1842 HydrophobicContact CD1-CE2 4.23Å; Y1808-F1842 AromaticContact CD1-CZ 3.3Å; Y1808-F1842 HydrophobicContact CD1-CZ 3.3Å; Y1808-F1842 HydrophobicContact CD2-CE2 4.45Å; Y1808-F1842 HydrophobicContact CD2-CZ 4.15Å; Y1808-F1842 AromaticContact CE1-CE1 3.44Å; Y1808-F1842 HydrophobicContact CE1-CE1 3.44Å; Y1808-F1842 VanDerWaalsContact CE1-CE1 3.44Å; Y1808-F1842 AromaticContact CE1-CZ 3.53Å; Y1808-F1842 HydrophobicContact CE1-CZ 3.53Å; Y1808-F1842 HydrophobicContact CE2-CE1 4.41Å; Y1808-F1842 HydrophobicContact CE2-CZ 4.4Å; Y1808-F1842 HydrophobicContact CG-CE1 4.33Å; Y1808-F1842 HydrophobicContact CG-CE2 4.12Å; Y1808-F1842 AromaticContact CG-CZ 3.63Å; Y1808-F1842 HydrophobicContact CG-CZ 3.63Å; Y1808-F1842 AromaticContact CZ-CE1 3.82Å |
| 1809 | D | 93.1 | Very high | 91.1 | Very high | 6 Ų | 6 | 35 Ų | 35 | 3% | 0.032 | 18% | 0.18 | C | C | . | . | trans | -142.7 | 82.5 | -178.8 | -179.1 | 7.1 | 0 | 0 | 0 | 110.5 | P1530 H1630 P1631 P1811 G1812 I1813 | P1530-D1809 HydrophobicContact CB-CB 4.21Å; P1530-D1809 HydrophobicContact CG-CB 4.11Å; H1630-D1809 IonicContact CE1-OD2 3.44Å; H1630-D1809 IonicContact CG-OD2 3.32Å; H1630-D1809 IonicContact ND1-OD2 2.68Å; H1630-D1809 PolarHBondContact ND1-OD2 3.33Å; P1631-D1809 VanDerWaalsContact CD-OD2 3.29Å; P1631-D1809 WeakPolarHBondContact CD-OD2 3.34Å; P1631-D1809 HydrophobicContact CG-CB 4.02Å; D1809-P1811 VanDerWaalsContact OD1-CD 3.27Å; D1809-P1811 WeakPolarHBondContact OD1-CD 3.39Å; D1809-P1811 WeakPolarHBondContact OD1-CG 3.34Å; D1809-G1812 PolarHBondContact O-N 3.1Å; D1809-G1812 PolarHBondContact OD1-N 2.98Å; D1809-G1812 WeakPolarHBondContact OD2-CA 3.3Å; D1809-I1813 VanDerWaalsContact O-CG1 3.25Å; D1809-I1813 WeakPolarHBondContact O-CG1 3.44Å; D1809-I1813 PolarHBondContact O-N 3.04Å | ||
| 1810 | I | 95.3 | Very high | 91.3 | Very high | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -54.4 | -49.5 | 176 | -60.5 | 178 | 0 | 0 | 0 | 111.8 | F1536 V1793 L1797 G1812 I1813 I1814 Y1831 L1834 A1838 | F1536-I1810 HydrophobicContact CE2-CD1 3.68Å; F1536-I1810 HydrophobicContact CE2-CG1 4.35Å; F1536-I1810 HydrophobicContact CZ-CD1 3.67Å; V1793-I1810 HydrophobicContact CG1-CG2 4.28Å; L1797-I1810 HydrophobicContact CD1-CD1 4.1Å; L1797-I1810 HydrophobicContact CD1-CG1 4.13Å; L1797-I1810 HydrophobicContact CD2-CG1 3.93Å; I1810-G1812 PolarHBondContact O-N 3.45Å; I1810-I1813 PolarHBondContact O-N 3.38Å; I1810-I1814 HydrophobicContact CG2-CD1 4.04Å; I1810-I1814 WeakPolarHBondContact O-CG1 3.43Å; I1810-I1814 PolarHBondContact O-N 2.81Å; I1810-I1814 VanDerWaalsContact O-N 3.13Å; I1810-Y1831 HydrophobicContact CG2-CD2 4.47Å; I1810-Y1831 HydrophobicContact CG2-CE2 3.86Å; I1810-L1834 HydrophobicContact CG2-CB 4.37Å; I1810-A1838 HydrophobicContact CD1-CB 3.88Å |
| 1811 | P | 93.6 | Very high | 91.4 | Very high | 5 Ų | 5 | 32.5 Ų | 32.5 | 3% | 0.032 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.8 | -42 | 177.7 | 5.3 | -11.9 | 0 | 0 | 0 | 113.8 | W1527 P1528 I1558 D1809 I1814 L1815 | W1527-P1811 HydrophobicContact CH2-CB 3.31Å; W1527-P1811 HydrophobicContact CH2-CG 4.38Å; W1527-P1811 HydrophobicContact CZ2-CB 3.38Å; W1527-P1811 HydrophobicContact CZ3-CB 4.28Å; P1528-P1811 HydrophobicContact CB-CG 3.92Å; P1528-P1811 HydrophobicContact CG-CB 4.48Å; P1528-P1811 HydrophobicContact CG-CG 3.86Å; I1558-P1811 HydrophobicContact CD1-CB 4.16Å; I1558-P1811 HydrophobicContact CG1-CB 4.3Å; D1809-P1811 VanDerWaalsContact OD1-CD 3.27Å; D1809-P1811 WeakPolarHBondContact OD1-CD 3.39Å; D1809-P1811 WeakPolarHBondContact OD1-CG 3.34Å; P1811-I1814 PolarHBondContact O-N 3.35Å; P1811-L1815 PolarHBondContact O-N 2.7Å |
| 1812 | G | 92.4 | Very high | 91.6 | Very high | 3 Ų | 3 | 29.4 Ų | 29.4 | 3% | 0.031 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.3 | -42.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | D1809 I1810 I1814 L1815 Q1816 | D1809-G1812 PolarHBondContact O-N 3.1Å; D1809-G1812 PolarHBondContact OD1-N 2.98Å; D1809-G1812 WeakPolarHBondContact OD2-CA 3.3Å; I1810-G1812 PolarHBondContact O-N 3.45Å; G1812-I1814 VanDerWaalsContact C-N 3.34Å; G1812-I1814 PolarHBondContact O-N 2.92Å; G1812-L1815 PolarHBondContact O-N 3.26Å; G1812-Q1816 WeakPolarHBondContact O-CG 3.3Å; G1812-Q1816 PolarHBondContact O-N 2.75Å; G1812-Q1816 VanDerWaalsContact O-N 3.1Å |
| 1813 | I | 95.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.4 | -47.4 | 174.8 | -65.7 | 165.1 | 0 | 0 | 0 | 110.4 | I1621 P1631 V1793 L1796 L1797 Y1800 D1809 I1810 L1815 Q1816 M1817 | I1621-I1813 HydrophobicContact CD1-CG2 4.07Å; P1631-I1813 HydrophobicContact CB-CG1 4.37Å; P1631-I1813 HydrophobicContact CG-CG1 3.99Å; V1793-I1813 HydrophobicContact CG1-CG2 4.26Å; V1793-I1813 HydrophobicContact CG2-CG2 4.18Å; L1796-I1813 HydrophobicContact CD1-CG2 3.6Å; L1797-I1813 HydrophobicContact CD2-CD1 4.19Å; Y1800-I1813 HydrophobicContact CD2-CD1 4.19Å; Y1800-I1813 HydrophobicContact CE2-CD1 3.62Å; Y1800-I1813 HydrophobicContact CE2-CG1 4.07Å; D1809-I1813 VanDerWaalsContact O-CG1 3.25Å; D1809-I1813 WeakPolarHBondContact O-CG1 3.44Å; D1809-I1813 PolarHBondContact O-N 3.04Å; I1810-I1813 PolarHBondContact O-N 3.38Å; I1813-L1815 VanDerWaalsContact C-N 3.32Å; I1813-L1815 PolarHBondContact O-N 2.89Å; I1813-Q1816 PolarHBondContact O-N 3.32Å; I1813-M1817 HydrophobicContact CG2-SD 4.14Å; I1813-M1817 WeakPolarHBondContact O-CG 3.41Å; I1813-M1817 PolarHBondContact O-N 2.86Å |
| 1814 | I | 96.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.5 | -38.2 | -178.7 | -65.4 | 170.6 | 0 | 0 | 0 | 111.1 | I1558 V1793 I1810 P1811 G1812 M1817 R1818 V1825 Y1831 L1834 | I1558-I1814 HydrophobicContact CD1-CB 4.43Å; I1558-I1814 HydrophobicContact CD1-CD1 4.07Å; I1558-I1814 HydrophobicContact CD1-CG2 4.43Å; I1558-I1814 HydrophobicContact CG2-CB 4.38Å; I1558-I1814 HydrophobicContact CG2-CG2 3.61Å; V1793-I1814 HydrophobicContact CG2-CG1 3.75Å; I1810-I1814 HydrophobicContact CG2-CD1 4.04Å; I1810-I1814 WeakPolarHBondContact O-CG1 3.43Å; I1810-I1814 PolarHBondContact O-N 2.81Å; I1810-I1814 VanDerWaalsContact O-N 3.13Å; P1811-I1814 PolarHBondContact O-N 3.35Å; G1812-I1814 VanDerWaalsContact C-N 3.34Å; G1812-I1814 PolarHBondContact O-N 2.92Å; I1814-M1817 PolarHBondContact O-N 2.88Å; I1814-R1818 HydrophobicContact CG2-CG 4.33Å; I1814-R1818 WeakPolarHBondContact O-CB 3.42Å; I1814-R1818 WeakPolarHBondContact O-CG 3.29Å; I1814-R1818 PolarHBondContact O-N 3.34Å; I1814-V1825 HydrophobicContact CD1-CB 4.19Å; I1814-V1825 HydrophobicContact CD1-CG1 4.3Å; I1814-V1825 HydrophobicContact CD1-CG2 3.99Å; I1814-V1825 HydrophobicContact CG1-CG2 4.05Å; I1814-V1825 HydrophobicContact CG2-CB 4.36Å; I1814-V1825 HydrophobicContact CG2-CG2 4.46Å; I1814-Y1831 HydrophobicContact CD1-CD2 3.46Å; I1814-Y1831 VanDerWaalsContact CD1-CD2 3.46Å; I1814-Y1831 HydrophobicContact CD1-CE2 3.57Å; I1814-L1834 HydrophobicContact CD1-CD1 4.11Å |
| 1815 | L | 93.3 | Very high | 92.9 | Very high | 14 Ų | 14 | 16.8 Ų | 16.8 | 7% | 0.073 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62.2 | -43.6 | 175.2 | -78.4 | 176.1 | 0 | 0 | 0 | 112.4 | W1527 I1558 N1561 L1565 P1811 G1812 I1813 M1817 R1818 R1819 | W1527-L1815 VanDerWaalsContact CE2-CD1 3.44Å; W1527-L1815 HydrophobicContact CZ2-CD1 3.39Å; W1527-L1815 HydrophobicContact CZ2-CG 4.01Å; I1558-L1815 HydrophobicContact CG2-CD2 4.36Å; N1561-L1815 HydrophobicContact CB-CD1 4.25Å; N1561-L1815 HydrophobicContact CB-CD2 3.76Å; L1565-L1815 HydrophobicContact CD1-CB 4.04Å; L1565-L1815 HydrophobicContact CD1-CD2 3.89Å; L1565-L1815 HydrophobicContact CD1-CG 4.42Å; P1811-L1815 PolarHBondContact O-N 2.7Å; G1812-L1815 PolarHBondContact O-N 3.26Å; I1813-L1815 VanDerWaalsContact C-N 3.32Å; I1813-L1815 PolarHBondContact O-N 2.89Å; L1815-M1817 VanDerWaalsContact C-N 3.32Å; L1815-M1817 PolarHBondContact O-N 2.84Å; L1815-R1818 PolarHBondContact O-N 2.92Å; L1815-R1818 VanDerWaalsContact O-N 3.12Å; L1815-R1819 PolarHBondContact O-N 2.82Å; L1815-R1819 VanDerWaalsContact O-N 3.14Å |
| 1816 | Q | 93.9 | Very high | 93.4 | Very high | 27 Ų | 27 | 19.4 Ų | 19.4 | 13% | 0.126 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63.4 | -39.8 | 175.1 | -60.1 | -51.4 | -21.6 | 0 | 0 | 111.5 | I1621 P1631 L1633 G1812 I1813 R1818 R1819 C1820 | I1621-Q1816 HydrophobicContact CD1-CB 3.84Å; I1621-Q1816 HydrophobicContact CG1-CB 4.08Å; I1621-Q1816 HydrophobicContact CG2-CB 4.36Å; I1621-Q1816 HydrophobicContact CG2-CG 4.36Å; P1631-Q1816 WeakPolarHBondContact O-CG 3.49Å; P1631-Q1816 PolarHBondContact O-NE2 2.84Å; L1633-Q1816 HydrophobicContact CB-CB 4.48Å; L1633-Q1816 HydrophobicContact CD1-CB 4.28Å; G1812-Q1816 WeakPolarHBondContact O-CG 3.3Å; G1812-Q1816 PolarHBondContact O-N 2.75Å; G1812-Q1816 VanDerWaalsContact O-N 3.1Å; I1813-Q1816 PolarHBondContact O-N 3.32Å; Q1816-R1818 VanDerWaalsContact C-N 3.29Å; Q1816-R1818 PolarHBondContact O-N 2.83Å; Q1816-R1819 WeakPolarHBondContact O-CB 3.29Å; Q1816-R1819 PolarHBondContact O-N 2.88Å; Q1816-R1819 VanDerWaalsContact O-N 3.16Å; Q1816-R1819 VanDerWaalsContact OE1-CD 3.26Å; Q1816-C1820 PolarHBondContact O-N 2.83Å |
| 1817 | M | 95.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -63.3 | -34.6 | 173.3 | -69.6 | 178.3 | 60 | 0 | 0 | 112.7 | I1618 I1621 I1792 V1793 L1796 I1813 I1814 L1815 R1819 C1820 R1821 M1824 | I1618-M1817 HydrophobicContact CG2-CG 4.19Å; I1621-M1817 HydrophobicContact CD1-CG 3.56Å; I1792-M1817 HydrophobicContact CB-CE 3.59Å; I1792-M1817 HydrophobicContact CB-SD 4.34Å; I1792-M1817 HydrophobicContact CD1-CE 4.21Å; I1792-M1817 HydrophobicContact CG1-CE 4.5Å; I1792-M1817 HydrophobicContact CG2-CE 3.51Å; I1792-M1817 HydrophobicContact CG2-SD 3.8Å; V1793-M1817 HydrophobicContact CG2-CE 4.17Å; V1793-M1817 HydrophobicContact CG2-SD 3.38Å; V1793-M1817 WeakPolarHBondContact CG2-SD 3.3Å; L1796-M1817 HydrophobicContact CD1-SD 4.38Å; I1813-M1817 HydrophobicContact CG2-SD 4.14Å; I1813-M1817 WeakPolarHBondContact O-CG 3.41Å; I1813-M1817 PolarHBondContact O-N 2.86Å; I1814-M1817 PolarHBondContact O-N 2.88Å; L1815-M1817 VanDerWaalsContact C-N 3.32Å; L1815-M1817 PolarHBondContact O-N 2.84Å; M1817-R1819 VanDerWaalsContact C-N 3.27Å; M1817-R1819 PolarHBondContact O-N 2.85Å; M1817-C1820 WeakPolarHBondContact O-CA 3.38Å; M1817-C1820 WeakPolarHBondContact O-CB 3.48Å; M1817-C1820 PolarHBondContact O-N 2.84Å; M1817-R1821 PolarHBondContact O-N 2.87Å; M1817-M1824 HydrophobicContact CB-CB 4.08Å; M1817-M1824 HydrophobicContact CB-CG 4.26Å; M1817-M1824 HydrophobicContact CE-CB 4.22Å; M1817-M1824 HydrophobicContact CE-CE 3.33Å; M1817-M1824 HydrophobicContact CE-CG 4.43Å |
| 1818 | R | 95 | Very high | 94 | Very high | 11 Ų | 11 | 19.3 Ų | 19.3 | 4% | 0.042 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -73 | -13.8 | 176.3 | -74.8 | -170.5 | 178.8 | -162.9 | 4.6 | 114.3 | Y1555 S1562 Y1593 I1814 L1815 Q1816 R1821 M1824 V1825 | Y1555-R1818 PolarHBondContact OH-NH2 3.41Å; S1562-R1818 VanDerWaalsContact CB-CD 3.42Å; S1562-R1818 PolarHBondContact OG-NH1 2.81Å; S1562-R1818 VanDerWaalsContact OG-NH1 3.12Å; Y1593-R1818 VanDerWaalsContact CE2-O 3.29Å; Y1593-R1818 WeakPolarHBondContact CE2-O 3.28Å; Y1593-R1818 PolarHBondContact OH-O 2.81Å; I1814-R1818 HydrophobicContact CG2-CG 4.33Å; I1814-R1818 WeakPolarHBondContact O-CB 3.42Å; I1814-R1818 WeakPolarHBondContact O-CG 3.29Å; I1814-R1818 PolarHBondContact O-N 3.34Å; L1815-R1818 PolarHBondContact O-N 2.92Å; L1815-R1818 VanDerWaalsContact O-N 3.12Å; Q1816-R1818 VanDerWaalsContact C-N 3.29Å; Q1816-R1818 PolarHBondContact O-N 2.83Å; R1818-R1821 WeakPolarHBondContact CA-O 3.32Å; R1818-M1824 HydrophobicContact CG-CB 4.14Å; R1818-M1824 PolarHBondContact NE-O 3.06Å; R1818-M1824 PolarHBondContact NH2-O 3.01Å; R1818-V1825 PolarHBondContact NH2-O 2.83Å |
| 1819 | R | 93.2 | Very high | 94.1 | Very high | 61 Ų | 61 | 20.8 Ų | 20.8 | 23% | 0.23 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -77.3 | -23.8 | 164.1 | -63.2 | 174.3 | 116.2 | 173.3 | 6 | 112.4 | L1565 D1569 L1571 L1815 Q1816 M1817 | L1565-R1819 HydrophobicContact CB-CG 4.17Å; L1565-R1819 HydrophobicContact CD1-CG 3.93Å; D1569-R1819 VanDerWaalsContact CG-NH2 3.35Å; D1569-R1819 IonicContact OD1-CZ 2.72Å; D1569-R1819 IonicContact OD1-NE 3.88Å; D1569-R1819 IonicContact OD1-NH2 2.75Å; D1569-R1819 PolarHBondContact OD1-NH2 3.15Å; D1569-R1819 IonicContact OD2-CZ 2.6Å; D1569-R1819 IonicContact OD2-NE 3.76Å; D1569-R1819 PolarHBondContact OD2-NE 2.87Å; D1569-R1819 IonicContact OD2-NH2 3.96Å; D1569-R1819 PolarHBondContact OD2-NH2 2.97Å; D1569-R1819 VanDerWaalsContact OD2-NH2 3.13Å; L1571-R1819 HydrophobicContact CD1-CB 4.49Å; L1571-R1819 WeakPolarHBondContact CD1-O 3.49Å; L1815-R1819 PolarHBondContact O-N 2.82Å; L1815-R1819 VanDerWaalsContact O-N 3.14Å; Q1816-R1819 WeakPolarHBondContact O-CB 3.29Å; Q1816-R1819 PolarHBondContact O-N 2.88Å; Q1816-R1819 VanDerWaalsContact O-N 3.16Å; Q1816-R1819 VanDerWaalsContact OE1-CD 3.26Å; M1817-R1819 VanDerWaalsContact C-N 3.27Å; M1817-R1819 PolarHBondContact O-N 2.85Å |
| 1820 | C | 94.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -86.8 | -44.6 | 177.1 | -66.7 | 0 | 0 | 0 | 0 | 113.1 | T1596 F1617 I1618 Q1816 M1817 | T1596-C1820 WeakPolarHBondContact CB-O 3.33Å; T1596-C1820 PolarHBondContact OG1-O 2.88Å; F1617-C1820 WeakPolarHBondContact O-CB 3.48Å; I1618-C1820 HydrophobicContact CD1-CB 3.51Å; Q1816-C1820 PolarHBondContact O-N 2.83Å; M1817-C1820 WeakPolarHBondContact O-CA 3.38Å; M1817-C1820 WeakPolarHBondContact O-CB 3.48Å; M1817-C1820 PolarHBondContact O-N 2.84Å |
| 1821 | R | 95.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -145 | 137.3 | 179 | -169.8 | 172.3 | 176.9 | 79.8 | -0.6 | 109.5 | N1614 S1616 I1618 A1783 G1784 V1785 M1817 R1818 M1824 | N1614-R1821 PolarHBondContact OD1-NH1 2.87Å; N1614-R1821 PolarHBondContact OD1-NH2 2.99Å; S1616-R1821 PolarHBondContact OG-NH1 3.39Å; S1616-R1821 VanDerWaalsContact OG-NH1 3.15Å; I1618-R1821 HydrophobicContact CD1-CB 4.02Å; A1783-R1821 PolarHBondContact O-NH2 2.82Å; G1784-R1821 WeakPolarHBondContact O-CD 3.16Å; G1784-R1821 PolarHBondContact O-NE 2.84Å; G1784-R1821 VanDerWaalsContact O-NE 3.08Å; V1785-R1821 HydrophobicContact CG1-CG 4.25Å; M1817-R1821 PolarHBondContact O-N 2.87Å; R1818-R1821 WeakPolarHBondContact CA-O 3.32Å; R1821-M1824 HydrophobicContact CB-CG 3.98Å; R1821-M1824 HydrophobicContact CB-SD 3.94Å; R1821-M1824 HydrophobicContact CG-SD 4.2Å; R1821-M1824 VanDerWaalsContact O-CG 3.27Å; R1821-M1824 WeakPolarHBondContact O-CG 3.19Å |
| 1822 | P | 91.5 | Very high | 94.3 | Very high | 12 Ų | 12 | 21.4 Ų | 21.4 | 8% | 0.078 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | 153.5 | -179.8 | 5.2 | -4.6 | 0 | 0 | 0 | 111.7 | Q1573 L1591 Y1593 V1785 M1824 | Q1573-P1822 VanDerWaalsContact NE2-CG 3.31Å; L1591-P1822 WeakPolarHBondContact O-CD 3.12Å; L1591-P1822 WeakPolarHBondContact O-CG 3.3Å; Y1593-P1822 HydrophobicContact CD1-CG 4.36Å; Y1593-P1822 HydrophobicContact CE1-CB 4.22Å; Y1593-P1822 HydrophobicContact CE1-CG 3.74Å; Y1593-P1822 HydrophobicContact CE2-CB 4.49Å; Y1593-P1822 HydrophobicContact CE2-CG 4.19Å; Y1593-P1822 WeakPolarHBondContact OH-CA 3.2Å; Y1593-P1822 WeakPolarHBondContact OH-CB 3.39Å; V1785-P1822 WeakPolarHBondContact CG1-O 3.3Å; P1822-M1824 PolarHBondContact O-N 3.28Å |
| 1823 | S | 92.9 | Very high | 94.5 | Very high | 45 Ų | 45 | 21.3 Ų | 21.3 | 32% | 0.315 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | 15.8 | 169.1 | -55.5 | 0 | 0 | 0 | 0 | 116.7 | V1825 Q1826 | S1823-V1825 CarbonylContact O-C 3.58Å; S1823-V1825 PolarHBondContact O-N 3.19Å; S1823-Q1826 WeakPolarHBondContact O-CA 3.45Å; S1823-Q1826 PolarHBondContact O-N 2.87Å |
| 1824 | M | 95.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -55 | 129.5 | 174.1 | -64 | -62.2 | -80.8 | 0 | 0 | 110.3 | I1618 A1642 V1785 T1788 I1792 M1817 R1818 R1821 P1822 | I1618-M1824 HydrophobicContact CD1-CE 4.12Å; I1618-M1824 HydrophobicContact CG1-CE 4.43Å; A1642-M1824 HydrophobicContact CB-CE 4.01Å; A1642-M1824 HydrophobicContact CB-SD 4.4Å; V1785-M1824 HydrophobicContact CB-SD 4.31Å; V1785-M1824 HydrophobicContact CG1-SD 4.34Å; V1785-M1824 WeakPolarHBondContact O-CA 3.43Å; T1788-M1824 HydrophobicContact CG2-CE 4.24Å; I1792-M1824 HydrophobicContact CD1-CE 3.9Å; M1817-M1824 HydrophobicContact CB-CB 4.08Å; M1817-M1824 HydrophobicContact CB-CG 4.26Å; M1817-M1824 HydrophobicContact CE-CB 4.22Å; M1817-M1824 HydrophobicContact CE-CE 3.33Å; M1817-M1824 HydrophobicContact CE-CG 4.43Å; R1818-M1824 HydrophobicContact CG-CB 4.14Å; R1818-M1824 PolarHBondContact NE-O 3.06Å; R1818-M1824 PolarHBondContact NH2-O 3.01Å; R1821-M1824 HydrophobicContact CB-CG 3.98Å; R1821-M1824 HydrophobicContact CB-SD 3.94Å; R1821-M1824 HydrophobicContact CG-SD 4.2Å; R1821-M1824 VanDerWaalsContact O-CG 3.27Å; R1821-M1824 WeakPolarHBondContact O-CG 3.19Å; P1822-M1824 PolarHBondContact O-N 3.28Å |
| 1825 | V | 95.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | S | Bend | trans | 57 | 84.2 | -165.1 | -170.3 | 0 | 0 | 0 | 0 | 109.9 | Y1555 V1785 V1793 I1814 R1818 S1823 Q1830 L1834 | Y1555-V1825 HydrophobicContact CE2-CG1 4.35Å; Y1555-V1825 WeakPolarHBondContact CE2-O 3.23Å; Y1555-V1825 PolarHBondContact OH-O 2.83Å; V1785-V1825 PolarHBondContact O-N 2.92Å; V1793-V1825 HydrophobicContact CG2-CG2 4.05Å; I1814-V1825 HydrophobicContact CD1-CB 4.19Å; I1814-V1825 HydrophobicContact CD1-CG1 4.3Å; I1814-V1825 HydrophobicContact CD1-CG2 3.99Å; I1814-V1825 HydrophobicContact CG1-CG2 4.05Å; I1814-V1825 HydrophobicContact CG2-CB 4.36Å; I1814-V1825 HydrophobicContact CG2-CG2 4.46Å; R1818-V1825 PolarHBondContact NH2-O 2.83Å; S1823-V1825 CarbonylContact O-C 3.58Å; S1823-V1825 PolarHBondContact O-N 3.19Å; V1825-Q1830 HydrophobicContact CG1-CB 3.88Å; V1825-L1834 HydrophobicContact CG1-CD1 4.18Å; V1825-L1834 HydrophobicContact CG2-CD1 4.01Å |
| 1826 | Q | 92.6 | Very high | 94.5 | Very high | 79 Ų | 79 | 23.3 Ų | 23.3 | 37% | 0.369 | 12% | 0.12 | S | C | . | . | trans | -87.4 | -19.2 | -164.4 | -168.6 | -168.8 | 5.5 | 0 | 0 | 113.9 | Y1555 V1785 S1823 Q1830 | Y1555-Q1826 WeakPolarHBondContact OH-CA 3.48Å; Y1555-Q1826 PolarHBondContact OH-O 2.94Å; V1785-Q1826 HydrophobicContact CG2-CB 4.41Å; S1823-Q1826 WeakPolarHBondContact O-CA 3.45Å; S1823-Q1826 PolarHBondContact O-N 2.87Å; Q1826-Q1830 VanDerWaalsContact N-OE1 3.07Å | ||
| 1827 | K | 91.4 | Very high | 94.6 | Very high | 92 Ų | 92 | 22.2 Ų | 22.2 | 40% | 0.4 | 11% | 0.114 | S | C | . | . | S | Bend | trans | -124.4 | 149.1 | -178.2 | -63.7 | -67.7 | -174.6 | 175.1 | 0 | 111.3 | Y1555 A1829 Q1830 Y1831 | Y1555-K1827 PolarHBondContact OH-N 3.24Å; K1827-A1829 VanDerWaalsContact C-N 3.27Å; K1827-A1829 PolarHBondContact O-N 3.47Å; K1827-Q1830 HydrophobicContact CB-CG 4.41Å; K1827-Q1830 WeakPolarHBondContact O-CB 3.31Å; K1827-Q1830 PolarHBondContact O-N 2.6Å; K1827-Y1831 PolarHBondContact O-N 3.11Å |
| 1828 | V | 94.1 | Very high | 94.5 | Very high | 45 Ų | 45 | 22.2 Ų | 22.2 | 27% | 0.273 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -62.6 | -33.6 | 176.9 | 69.8 | 0 | 0 | 0 | 0 | 112.8 | K1552 Y1555 Q1830 Y1831 I1832 | K1552-V1828 HydrophobicContact CB-CG2 4.02Å; K1552-V1828 HydrophobicContact CG-CG2 3.69Å; Y1555-V1828 HydrophobicContact CD1-CB 3.63Å; Y1555-V1828 HydrophobicContact CD1-CG2 3.98Å; Y1555-V1828 HydrophobicContact CE1-CB 4.15Å; Y1555-V1828 HydrophobicContact CG-CB 4.05Å; Y1555-V1828 HydrophobicContact CG-CG2 4Å; V1828-Q1830 VanDerWaalsContact C-N 3.31Å; V1828-Q1830 PolarHBondContact O-N 2.97Å; V1828-Y1831 WeakPolarHBondContact O-CB 3.33Å; V1828-Y1831 PolarHBondContact O-N 3.44Å; V1828-Y1831 VanDerWaalsContact O-N 3.15Å; V1828-I1832 HydrophobicContact CG2-CD1 4.28Å; V1828-I1832 WeakPolarHBondContact O-CG1 3.35Å; V1828-I1832 PolarHBondContact O-N 3.16Å |
| 1829 | A | 93.5 | Very high | 94.4 | Very high | 34 Ų | 34 | 22.2 Ų | 22.2 | 28% | 0.281 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -59.2 | -43.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | V1750 K1827 Y1831 I1832 F1833 | V1750-A1829 VanDerWaalsContact CG1-C 3.46Å; V1750-A1829 HydrophobicContact CG1-CB 4.06Å; V1750-A1829 WeakPolarHBondContact CG1-O 3.5Å; K1827-A1829 VanDerWaalsContact C-N 3.27Å; K1827-A1829 PolarHBondContact O-N 3.47Å; A1829-Y1831 VanDerWaalsContact C-N 3.32Å; A1829-Y1831 PolarHBondContact O-N 2.83Å; A1829-I1832 PolarHBondContact O-N 3.02Å; A1829-F1833 WeakPolarHBondContact O-CB 3.39Å; A1829-F1833 PolarHBondContact O-N 3.14Å |
| 1830 | Q | 95.1 | Very high | 94.3 | Very high | 8 Ų | 8 | 21.8 Ų | 21.8 | 4% | 0.037 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.6 | -39.3 | 175.7 | -68.5 | 165 | -6.4 | 0 | 0 | 112 | V1750 T1790 V1825 Q1826 K1827 V1828 F1833 L1834 | V1750-Q1830 HydrophobicContact CG1-CB 4.49Å; V1750-Q1830 HydrophobicContact CG1-CG 4.13Å; T1790-Q1830 HydrophobicContact CG2-CB 4.43Å; T1790-Q1830 WeakPolarHBondContact OG1-CB 3.27Å; V1825-Q1830 HydrophobicContact CG1-CB 3.88Å; Q1826-Q1830 VanDerWaalsContact N-OE1 3.07Å; K1827-Q1830 HydrophobicContact CB-CG 4.41Å; K1827-Q1830 WeakPolarHBondContact O-CB 3.31Å; K1827-Q1830 PolarHBondContact O-N 2.6Å; V1828-Q1830 VanDerWaalsContact C-N 3.31Å; V1828-Q1830 PolarHBondContact O-N 2.97Å; Q1830-F1833 PolarHBondContact O-N 3.48Å; Q1830-L1834 WeakPolarHBondContact O-CG 3.3Å; Q1830-L1834 PolarHBondContact O-N 2.87Å |
| 1831 | Y | 96.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.5 | -42.2 | 176.5 | -175.3 | -110 | 0 | 0 | 0 | 112.9 | L1551 Q1554 Y1555 I1558 I1810 I1814 K1827 V1828 A1829 L1834 H1835 | L1551-Y1831 HydrophobicContact CB-CD1 4.47Å; L1551-Y1831 HydrophobicContact CB-CE1 4.43Å; L1551-Y1831 HydrophobicContact CD2-CE1 4.27Å; Q1554-Y1831 HydrophobicContact CB-CE1 4.14Å; Q1554-Y1831 HydrophobicContact CG-CE1 4.25Å; Q1554-Y1831 WeakPolarHBondContact CG-OH 3.47Å; Q1554-Y1831 VanDerWaalsContact OE1-CZ 3.25Å; Q1554-Y1831 PolarHBondContact OE1-OH 3Å; Y1555-Y1831 VanDerWaalsContact CD2-CB 3.48Å; Y1555-Y1831 HydrophobicContact CD2-CD1 4.13Å; Y1555-Y1831 HydrophobicContact CD2-CD2 4.13Å; Y1555-Y1831 AromaticContact CD2-CG 3.65Å; Y1555-Y1831 HydrophobicContact CD2-CG 3.65Å; Y1555-Y1831 HydrophobicContact CG-CD1 4.43Å; Y1555-Y1831 HydrophobicContact CG-CG 4.35Å; I1558-Y1831 HydrophobicContact CD1-CD2 3.84Å; I1558-Y1831 HydrophobicContact CD1-CE2 3.31Å; I1810-Y1831 HydrophobicContact CG2-CD2 4.47Å; I1810-Y1831 HydrophobicContact CG2-CE2 3.86Å; I1814-Y1831 HydrophobicContact CD1-CD2 3.46Å; I1814-Y1831 VanDerWaalsContact CD1-CD2 3.46Å; I1814-Y1831 HydrophobicContact CD1-CE2 3.57Å; K1827-Y1831 PolarHBondContact O-N 3.11Å; V1828-Y1831 WeakPolarHBondContact O-CB 3.33Å; V1828-Y1831 PolarHBondContact O-N 3.44Å; V1828-Y1831 VanDerWaalsContact O-N 3.15Å; A1829-Y1831 VanDerWaalsContact C-N 3.32Å; A1829-Y1831 PolarHBondContact O-N 2.83Å; Y1831-L1834 PolarHBondContact O-N 3.14Å; Y1831-H1835 AromaticContact CE1-CE1 3.6Å; Y1831-H1835 AromaticContact CE2-CE1 3.72Å; Y1831-H1835 AromaticContact CZ-CE1 3.3Å; Y1831-H1835 PolarHBondContact O-N 3.07Å; Y1831-H1835 PolarHBondContact O-ND1 2.93Å; Y1831-H1835 PolarHBondContact OH-CE1 2.86Å |
| 1832 | I | 95.5 | Very high | 93.9 | Very high | 18 Ų | 18 | 23.7 Ų | 23.7 | 9% | 0.092 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.9 | -46.8 | 173.5 | -67.7 | 165.7 | 0 | 0 | 0 | 109.5 | F1548 L1551 K1552 V1828 A1829 L1834 H1835 Q1836 | F1548-I1832 HydrophobicContact CB-CD1 3.75Å; F1548-I1832 HydrophobicContact CB-CG1 4.07Å; F1548-I1832 HydrophobicContact CB-CG2 4.27Å; F1548-I1832 HydrophobicContact CD1-CG2 3.96Å; F1548-I1832 HydrophobicContact CD2-CG2 3.95Å; F1548-I1832 HydrophobicContact CE1-CG2 4.24Å; F1548-I1832 HydrophobicContact CE2-CG2 4.26Å; F1548-I1832 HydrophobicContact CG-CD1 4.36Å; F1548-I1832 HydrophobicContact CG-CG2 3.79Å; F1548-I1832 HydrophobicContact CZ-CG2 4.39Å; L1551-I1832 HydrophobicContact CB-CG1 3.98Å; L1551-I1832 HydrophobicContact CD1-CG1 4.15Å; L1551-I1832 HydrophobicContact CD1-CG2 4.44Å; K1552-I1832 HydrophobicContact CG-CD1 4.3Å; V1828-I1832 HydrophobicContact CG2-CD1 4.28Å; V1828-I1832 WeakPolarHBondContact O-CG1 3.35Å; V1828-I1832 PolarHBondContact O-N 3.16Å; A1829-I1832 PolarHBondContact O-N 3.02Å; I1832-L1834 VanDerWaalsContact C-N 3.29Å; I1832-L1834 PolarHBondContact O-N 2.8Å; I1832-H1835 WeakPolarHBondContact O-CA 3.38Å; I1832-H1835 WeakPolarHBondContact O-CB 3.41Å; I1832-H1835 PolarHBondContact O-N 2.85Å; I1832-Q1836 HydrophobicContact CG2-CG 4.36Å; I1832-Q1836 WeakPolarHBondContact O-CG 3.37Å; I1832-Q1836 PolarHBondContact O-N 3.35Å |
| 1833 | F | 95.9 | Very high | 93.4 | Very high | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.009 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -56.8 | -39 | 178.4 | 177 | -96.7 | 0 | 0 | 0 | 113.3 | V1750 P1751 L1753 F1756 T1790 A1829 Q1830 H1835 Q1836 F1837 | V1750-F1833 HydrophobicContact CB-CB 3.87Å; V1750-F1833 HydrophobicContact CB-CD2 3.89Å; V1750-F1833 HydrophobicContact CB-CG 3.89Å; V1750-F1833 HydrophobicContact CG1-CB 3.65Å; V1750-F1833 HydrophobicContact CG1-CG 4.15Å; V1750-F1833 HydrophobicContact CG2-CB 4.26Å; V1750-F1833 HydrophobicContact CG2-CD2 4.04Å; V1750-F1833 HydrophobicContact CG2-CG 4.4Å; P1751-F1833 HydrophobicContact CG-CE1 3.95Å; P1751-F1833 HydrophobicContact CG-CE2 4.15Å; P1751-F1833 HydrophobicContact CG-CZ 3.63Å; P1751-F1833 WeakPolarHBondContact O-CE2 3.48Å; L1753-F1833 HydrophobicContact CB-CE2 4.07Å; L1753-F1833 HydrophobicContact CD1-CE2 3.86Å; L1753-F1833 HydrophobicContact CD1-CZ 3.88Å; F1756-F1833 HydrophobicContact CB-CZ 3.85Å; F1756-F1833 AromaticContact CD1-CE1 3.69Å; F1756-F1833 HydrophobicContact CD1-CE1 3.69Å; F1756-F1833 AromaticContact CD1-CZ 3.74Å; F1756-F1833 HydrophobicContact CD1-CZ 3.74Å; F1756-F1833 AromaticContact CE1-CE1 3.97Å; F1756-F1833 HydrophobicContact CE1-CE1 3.97Å; F1756-F1833 HydrophobicContact CE1-CZ 4.47Å; F1756-F1833 AromaticContact CG-CE1 4Å; F1756-F1833 HydrophobicContact CG-CE1 4Å; F1756-F1833 AromaticContact CG-CZ 3.8Å; F1756-F1833 HydrophobicContact CG-CZ 3.8Å; T1790-F1833 HydrophobicContact CG2-CD1 3.94Å; T1790-F1833 HydrophobicContact CG2-CE1 4.42Å; A1829-F1833 WeakPolarHBondContact O-CB 3.39Å; A1829-F1833 PolarHBondContact O-N 3.14Å; Q1830-F1833 PolarHBondContact O-N 3.48Å; F1833-H1835 VanDerWaalsContact C-N 3.26Å; F1833-H1835 PolarHBondContact O-N 2.89Å; F1833-Q1836 WeakPolarHBondContact O-CB 3.05Å; F1833-Q1836 PolarHBondContact O-N 2.67Å; F1833-Q1836 VanDerWaalsContact O-N 3.11Å; F1833-F1837 PolarHBondContact O-N 2.98Å |
| 1834 | L | 96.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.9 | -35.8 | 173.5 | -73 | 168.1 | 0 | 0 | 0 | 112.8 | T1790 V1793 A1794 I1810 I1814 V1825 Q1830 Y1831 I1832 A1838 | T1790-L1834 HydrophobicContact CG2-CD2 4.04Å; T1790-L1834 HydrophobicContact CG2-CG 4.1Å; T1790-L1834 WeakPolarHBondContact O-CD2 3.5Å; V1793-L1834 HydrophobicContact CB-CD1 3.84Å; V1793-L1834 HydrophobicContact CB-CD2 3.77Å; V1793-L1834 HydrophobicContact CB-CG 4.46Å; V1793-L1834 HydrophobicContact CG1-CD1 3.81Å; V1793-L1834 HydrophobicContact CG1-CD2 3.85Å; V1793-L1834 HydrophobicContact CG1-CG 4.36Å; V1793-L1834 HydrophobicContact CG2-CD1 4.16Å; A1794-L1834 HydrophobicContact CB-CD2 4.15Å; I1810-L1834 HydrophobicContact CG2-CB 4.37Å; I1814-L1834 HydrophobicContact CD1-CD1 4.11Å; V1825-L1834 HydrophobicContact CG1-CD1 4.18Å; V1825-L1834 HydrophobicContact CG2-CD1 4.01Å; Q1830-L1834 WeakPolarHBondContact O-CG 3.3Å; Q1830-L1834 PolarHBondContact O-N 2.87Å; Y1831-L1834 PolarHBondContact O-N 3.14Å; I1832-L1834 VanDerWaalsContact C-N 3.29Å; I1832-L1834 PolarHBondContact O-N 2.8Å; L1834-A1838 VanDerWaalsContact O-CB 3.28Å; L1834-A1838 WeakPolarHBondContact O-CB 3.05Å; L1834-A1838 PolarHBondContact O-N 2.97Å |
| 1835 | H | 95.4 | Very high | 93.3 | Very high | 6 Ų | 6 | 33.1 Ų | 33.1 | 3% | 0.028 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -70.9 | -37.8 | 174.6 | -72.8 | 68.8 | 0 | 0 | 0 | 111.9 | F1536 Y1540 L1551 Y1831 I1832 F1833 A1838 N1839 | F1536-H1835 AromaticContact CE2-CD2 3.99Å; F1536-H1835 HydrophobicContact CZ-CB 4.37Å; F1536-H1835 AromaticContact CZ-CD2 3.73Å; Y1540-H1835 HydrophobicContact CD2-CB 4.04Å; Y1540-H1835 HydrophobicContact CE2-CB 4.22Å; L1551-H1835 HydrophobicContact CD1-CB 3.93Å; Y1831-H1835 AromaticContact CE1-CE1 3.6Å; Y1831-H1835 AromaticContact CE2-CE1 3.72Å; Y1831-H1835 AromaticContact CZ-CE1 3.3Å; Y1831-H1835 PolarHBondContact O-N 3.07Å; Y1831-H1835 PolarHBondContact O-ND1 2.93Å; Y1831-H1835 PolarHBondContact OH-CE1 2.86Å; I1832-H1835 WeakPolarHBondContact O-CA 3.38Å; I1832-H1835 WeakPolarHBondContact O-CB 3.41Å; I1832-H1835 PolarHBondContact O-N 2.85Å; F1833-H1835 VanDerWaalsContact C-N 3.26Å; F1833-H1835 PolarHBondContact O-N 2.89Å; H1835-A1838 PolarHBondContact O-N 2.9Å; H1835-N1839 WeakPolarHBondContact O-CB 3.48Å; H1835-N1839 PolarHBondContact O-N 3.3Å |
| 1836 | Q | 94.6 | Very high | 93.2 | Very high | 50 Ų | 50 | 34.9 Ų | 34.9 | 23% | 0.234 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.2 | -45.9 | 174 | -52.9 | -174.9 | -37.9 | 0 | 0 | 110.7 | Y1540 L1753 I1832 F1833 N1839 T1840 | Y1540-Q1836 HydrophobicContact CE2-CB 4.33Å; Y1540-Q1836 HydrophobicContact CE2-CG 3.97Å; Y1540-Q1836 WeakPolarHBondContact OH-CG 3.47Å; L1753-Q1836 HydrophobicContact CD2-CB 4.29Å; I1832-Q1836 HydrophobicContact CG2-CG 4.36Å; I1832-Q1836 WeakPolarHBondContact O-CG 3.37Å; I1832-Q1836 PolarHBondContact O-N 3.35Å; F1833-Q1836 WeakPolarHBondContact O-CB 3.05Å; F1833-Q1836 PolarHBondContact O-N 2.67Å; F1833-Q1836 VanDerWaalsContact O-N 3.11Å; Q1836-N1839 PolarHBondContact O-N 2.87Å; Q1836-T1840 PolarHBondContact O-N 2.82Å; Q1836-T1840 VanDerWaalsContact O-N 3.09Å; Q1836-T1840 PolarHBondContact O-OG1 2.86Å; Q1836-T1840 VanDerWaalsContact O-OG1 3.12Å |
| 1837 | F | 95.5 | Very high | 93.2 | Very high | 3 Ų | 3 | 32.3 Ų | 32.3 | 1% | 0.013 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.6 | -48.6 | 176.4 | 178.5 | -93.2 | 0 | 0 | 0 | 112.4 | L1753 F1756 Q1757 M1760 A1794 F1833 N1839 T1840 L1841 | L1753-F1837 HydrophobicContact CD1-CB 3.75Å; L1753-F1837 HydrophobicContact CD1-CD2 3.82Å; L1753-F1837 HydrophobicContact CD1-CG 4.29Å; F1756-F1837 AromaticContact CD1-CD2 3.92Å; F1756-F1837 HydrophobicContact CD1-CD2 3.92Å; F1756-F1837 HydrophobicContact CD1-CE2 4.05Å; F1756-F1837 HydrophobicContact CE1-CD2 4.21Å; F1756-F1837 HydrophobicContact CE1-CE2 4.22Å; Q1757-F1837 HydrophobicContact CG-CD2 3.95Å; Q1757-F1837 HydrophobicContact CG-CE2 3.75Å; M1760-F1837 HydrophobicContact CG-CZ 4.24Å; A1794-F1837 HydrophobicContact CB-CD1 3.97Å; A1794-F1837 HydrophobicContact CB-CE1 3.8Å; A1794-F1837 HydrophobicContact CB-CZ 4.19Å; F1833-F1837 PolarHBondContact O-N 2.98Å; F1837-N1839 VanDerWaalsContact C-N 3.33Å; F1837-N1839 PolarHBondContact O-N 2.69Å; F1837-T1840 PolarHBondContact O-N 3.07Å; F1837-L1841 HydrophobicContact CE1-CD2 4.1Å; F1837-L1841 WeakPolarHBondContact O-CB 3.11Å; F1837-L1841 PolarHBondContact O-N 2.85Å |
| 1838 | A | 94.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.9 | -43.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | F1536 L1797 I1810 L1834 H1835 T1840 L1841 F1842 | F1536-A1838 HydrophobicContact CD1-CB 4.47Å; F1536-A1838 HydrophobicContact CE1-CB 3.53Å; F1536-A1838 HydrophobicContact CE2-CB 4.34Å; F1536-A1838 HydrophobicContact CZ-CB 3.45Å; F1536-A1838 VanDerWaalsContact CZ-CB 3.45Å; L1797-A1838 HydrophobicContact CD1-CB 4.1Å; I1810-A1838 HydrophobicContact CD1-CB 3.88Å; L1834-A1838 VanDerWaalsContact O-CB 3.28Å; L1834-A1838 WeakPolarHBondContact O-CB 3.05Å; L1834-A1838 PolarHBondContact O-N 2.97Å; H1835-A1838 PolarHBondContact O-N 2.9Å; A1838-T1840 VanDerWaalsContact C-N 3.34Å; A1838-T1840 PolarHBondContact O-N 2.62Å; A1838-L1841 PolarHBondContact O-N 2.85Å; A1838-F1842 HydrophobicContact CB-CD2 4.38Å; A1838-F1842 HydrophobicContact CB-CE2 3.8Å; A1838-F1842 HydrophobicContact CB-CZ 4.07Å; A1838-F1842 WeakPolarHBondContact O-CB 3.49Å; A1838-F1842 WeakPolarHBondContact O-CD2 3.48Å; A1838-F1842 WeakPolarHBondContact O-CG 3.38Å; A1838-F1842 PolarHBondContact O-N 3.02Å |
| 1839 | N | 93.3 | Very high | 93.3 | Very high | 12 Ų | 12 | 27.5 Ų | 27.5 | 6% | 0.064 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.9 | -41.5 | 177.5 | 176.2 | 73.6 | 0 | 0 | 0 | 111.9 | F1536 Y1540 H1835 Q1836 F1837 R1843 | F1536-N1839 HydrophobicContact CE1-CB 4.26Å; Y1540-N1839 HydrophobicContact CD1-CB 3.6Å; Y1540-N1839 WeakPolarHBondContact CD1-ND2 3.3Å; Y1540-N1839 WeakPolarHBondContact CD1-OD1 3.49Å; Y1540-N1839 HydrophobicContact CD2-CB 4Å; Y1540-N1839 HydrophobicContact CE1-CB 3.96Å; Y1540-N1839 WeakPolarHBondContact CE1-ND2 3.44Å; Y1540-N1839 HydrophobicContact CE2-CB 4.33Å; Y1540-N1839 HydrophobicContact CG-CB 3.62Å; H1835-N1839 WeakPolarHBondContact O-CB 3.48Å; H1835-N1839 PolarHBondContact O-N 3.3Å; Q1836-N1839 PolarHBondContact O-N 2.87Å; F1837-N1839 VanDerWaalsContact C-N 3.33Å; F1837-N1839 PolarHBondContact O-N 2.69Å; N1839-R1843 WeakPolarHBondContact O-CG 3.25Å; N1839-R1843 PolarHBondContact O-N 3.11Å |
| 1840 | T | 91.3 | Very high | 93.3 | Very high | 51 Ų | 51 | 27 Ų | 27 | 31% | 0.313 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -70.6 | -32 | 176.2 | -51.4 | 0 | 0 | 0 | 0 | 112.5 | L1753 Q1836 F1837 A1838 | L1753-T1840 WeakPolarHBondContact CD2-OG1 3.3Å; Q1836-T1840 PolarHBondContact O-N 2.82Å; Q1836-T1840 VanDerWaalsContact O-N 3.09Å; Q1836-T1840 PolarHBondContact O-OG1 2.86Å; Q1836-T1840 VanDerWaalsContact O-OG1 3.12Å; F1837-T1840 PolarHBondContact O-N 3.07Å; A1838-T1840 VanDerWaalsContact C-N 3.34Å; A1838-T1840 PolarHBondContact O-N 2.62Å |
| 1841 | L | 90.5 | Very high | 93.1 | Very high | 29 Ų | 29 | 28.5 Ų | 28.5 | 15% | 0.152 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -72.1 | -31.4 | 177 | 179.7 | 68.4 | 0 | 0 | 0 | 112.9 | L1797 Q1798 K1801 F1837 A1838 | L1797-L1841 HydrophobicContact CB-CD2 4.2Å; Q1798-L1841 HydrophobicContact CB-CD2 4.34Å; Q1798-L1841 HydrophobicContact CG-CD1 4.46Å; K1801-L1841 HydrophobicContact CB-CD2 4.05Å; K1801-L1841 HydrophobicContact CB-CG 4.31Å; K1801-L1841 HydrophobicContact CG-CD1 4.39Å; K1801-L1841 HydrophobicContact CG-CD2 4.44Å; K1801-L1841 HydrophobicContact CG-CG 4.14Å; F1837-L1841 HydrophobicContact CE1-CD2 4.1Å; F1837-L1841 WeakPolarHBondContact O-CB 3.11Å; F1837-L1841 PolarHBondContact O-N 2.85Å; A1838-L1841 PolarHBondContact O-N 2.85Å |
| 1842 | F | 89.9 | Confident | 92.9 | Very high | 12 Ų | 12 | 30.8 Ų | 30.8 | 5% | 0.053 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -89.1 | -18.6 | -177.5 | -58.4 | -23.6 | 0 | 0 | 0 | 113.8 | T1533 F1536 M1537 L1797 K1801 Y1808 A1838 | T1533-F1842 HydrophobicContact CG2-CB 3.97Å; T1533-F1842 HydrophobicContact CG2-CD1 3.93Å; T1533-F1842 HydrophobicContact CG2-CD2 4.23Å; T1533-F1842 HydrophobicContact CG2-CG 3.78Å; F1536-F1842 HydrophobicContact CB-CD2 4.16Å; F1536-F1842 HydrophobicContact CB-CE2 4.29Å; F1536-F1842 AromaticContact CD1-CD2 3.55Å; F1536-F1842 HydrophobicContact CD1-CD2 3.55Å; F1536-F1842 AromaticContact CD1-CE2 3.71Å; F1536-F1842 HydrophobicContact CD1-CE2 3.71Å; F1536-F1842 HydrophobicContact CD2-CE2 4.13Å; F1536-F1842 HydrophobicContact CE1-CD2 4.14Å; F1536-F1842 HydrophobicContact CE1-CE2 4.06Å; F1536-F1842 HydrophobicContact CE2-CE2 4.46Å; F1536-F1842 AromaticContact CG-CD2 3.87Å; F1536-F1842 HydrophobicContact CG-CD2 3.87Å; F1536-F1842 AromaticContact CG-CE2 3.76Å; F1536-F1842 HydrophobicContact CG-CE2 3.76Å; F1536-F1842 HydrophobicContact CZ-CE2 4.43Å; M1537-F1842 HydrophobicContact CG-CB 4.25Å; M1537-F1842 HydrophobicContact SD-CB 4.41Å; L1797-F1842 HydrophobicContact CD2-CZ 4.39Å; K1801-F1842 HydrophobicContact CB-CE1 4.43Å; K1801-F1842 HydrophobicContact CD-CD1 4.19Å; Y1808-F1842 AromaticContact CD1-CE1 3.76Å; Y1808-F1842 HydrophobicContact CD1-CE1 3.76Å; Y1808-F1842 HydrophobicContact CD1-CE2 4.23Å; Y1808-F1842 AromaticContact CD1-CZ 3.3Å; Y1808-F1842 HydrophobicContact CD1-CZ 3.3Å; Y1808-F1842 HydrophobicContact CD2-CE2 4.45Å; Y1808-F1842 HydrophobicContact CD2-CZ 4.15Å; Y1808-F1842 AromaticContact CE1-CE1 3.44Å; Y1808-F1842 HydrophobicContact CE1-CE1 3.44Å; Y1808-F1842 VanDerWaalsContact CE1-CE1 3.44Å; Y1808-F1842 AromaticContact CE1-CZ 3.53Å; Y1808-F1842 HydrophobicContact CE1-CZ 3.53Å; Y1808-F1842 HydrophobicContact CE2-CE1 4.41Å; Y1808-F1842 HydrophobicContact CE2-CZ 4.4Å; Y1808-F1842 HydrophobicContact CG-CE1 4.33Å; Y1808-F1842 HydrophobicContact CG-CE2 4.12Å; Y1808-F1842 AromaticContact CG-CZ 3.63Å; Y1808-F1842 HydrophobicContact CG-CZ 3.63Å; Y1808-F1842 AromaticContact CZ-CE1 3.82Å; A1838-F1842 HydrophobicContact CB-CD2 4.38Å; A1838-F1842 HydrophobicContact CB-CE2 3.8Å; A1838-F1842 HydrophobicContact CB-CZ 4.07Å; A1838-F1842 WeakPolarHBondContact O-CB 3.49Å; A1838-F1842 WeakPolarHBondContact O-CD2 3.48Å; A1838-F1842 WeakPolarHBondContact O-CG 3.38Å; A1838-F1842 PolarHBondContact O-N 3.02Å |
| 1843 | R | 82 | Confident | 92.7 | Very high | 187 Ų | 187 | 32 Ų | 32 | 71% | 0.706 | 14% | 0.143 | S | C | * | . | trans | -75.6 | 0 | 164.8 | -74.3 | -177.4 | -178.2 | -132.1 | -4 | 109.8 | M1537 E1541 N1839 | M1537-R1843 HydrophobicContact CG-CG 4.45Å; M1537-R1843 HydrophobicContact SD-CB 4.34Å; M1537-R1843 HydrophobicContact SD-CG 3.43Å; M1537-R1843 WeakPolarHBondContact SD-CG 3.49Å; E1541-R1843 IonicContact OE1-CZ 3.73Å; E1541-R1843 IonicContact OE1-NH2 3.89Å; E1541-R1843 PolarHBondContact OE1-NH2 2.74Å; N1839-R1843 WeakPolarHBondContact O-CG 3.25Å; N1839-R1843 PolarHBondContact O-N 3.11Å |
Retrieved 1,843 of 1,843 residues in 2613.1 ms
(Link to these results)