| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 31.8 | Very low | 42.7 | Very low | 242 Ų | 242 | 162.7 Ų | 162.7 | 100% | 1.192 | 85% | 0.845 | S | S | * | * | 0 | 139 | 0 | -85.2 | -178.3 | 161 | 0 | 0 | 108.2 | |||||
| 2 | P | 42.4 | Very low | 43.7 | Very low | 111 Ų | 111 | 161.5 Ų | 161.5 | 72% | 0.721 | 84% | 0.838 | S | S | * | * | -114.5 | 153.8 | -93.9 | 5.1 | 15.8 | 0 | 0 | 0 | 114.5 | |||||
| 3 | T | 41 | Very low | 43.7 | Very low | 134 Ų | 134 | 162.2 Ų | 162.2 | 82% | 0.822 | 83% | 0.831 | S | S | * | * | trans | 26.8 | 104.7 | 135.4 | 2.5 | 0 | 0 | 0 | 0 | 117.7 | E5 | T3-E5 PolarHBondContact O-N 2.87Š| ||
| 4 | Q | 43.8 | Very low | 43.8 | Very low | 192 Ų | 192 | 157.8 Ų | 157.8 | 90% | 0.897 | 82% | 0.82 | S | S | * | * | trans | -77.5 | 110.5 | 162.3 | -77.7 | -170.3 | -40.1 | 0 | 0 | 109.9 | ||||
| 5 | E | 43 | Very low | 43.8 | Very low | 182 Ų | 182 | 153.8 Ų | 153.8 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | trans | -77.8 | 132.9 | 160.5 | -68 | -174.2 | 144.1 | 0 | 0 | 109.3 | T3 | T3-E5 PolarHBondContact O-N 2.87Š| ||
| 6 | T | 46.3 | Very low | 44.1 | Very low | 127 Ų | 127 | 153.8 Ų | 153.8 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | trans | -159.2 | 82.8 | 158.1 | -6.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 7 | K | 39.4 | Very low | 44.5 | Very low | 206 Ų | 206 | 151.5 Ų | 151.5 | 90% | 0.896 | 80% | 0.802 | S | S | * | * | trans | -126.8 | 85.4 | 163.8 | -80.2 | -170 | 177.8 | 179.9 | 0 | 107.5 | ||||
| 8 | I | 48.6 | Very low | 45.1 | Very low | 161 Ų | 161 | 148.4 Ų | 148.4 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | trans | -121.1 | 88.8 | 165.5 | -61 | 172.4 | 0 | 0 | 0 | 105.8 | ||||
| 9 | G | 40.5 | Very low | 45.4 | Very low | 68 Ų | 68 | 145.9 Ų | 145.9 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | trans | -81 | 123.8 | 155.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 10 | F | 47.1 | Very low | 45.4 | Very low | 189 Ų | 189 | 144.5 Ų | 144.5 | 83% | 0.829 | 78% | 0.783 | S | S | * | * | trans | -152.8 | 107 | 148.9 | -126 | -89.9 | 0 | 0 | 0 | 108.4 | I12 | F10-I12 PolarHBondContact O-N 3.05Š| ||
| 11 | F | 45.4 | Very low | 45.5 | Very low | 178 Ų | 178 | 144.9 Ų | 144.9 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | trans | -50.6 | 99.8 | 166.4 | -94 | -115 | 0 | 0 | 0 | 109.9 | F13 | F11-F13 VanDerWaalsContact C-N 3.33Å; F11-F13 AromaticContact CD1-CD2 3.9Å; F11-F13 HydrophobicContact CD1-CD2 3.9Å; F11-F13 HydrophobicContact CE1-CD2 4.26Å; F11-F13 HydrophobicContact CE1-CE2 4.49Å; F11-F13 PolarHBondContact O-N 2.82Å | ||
| 12 | I | 54.8 | Low | 46.4 | Very low | 148 Ų | 148 | 140.5 Ų | 140.5 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | trans | -95.7 | 79.3 | 161.8 | -61.8 | -179.2 | 0 | 0 | 0 | 106.8 | F10 C14 | F10-I12 PolarHBondContact O-N 3.05Å; I12-C14 HydrophobicContact CG2-CB 4.25Å; I12-C14 PolarHBondContact O-N 2.95Å | ||
| 13 | F | 43.6 | Very low | 46.5 | Very low | 170 Ų | 170 | 139.2 Ų | 139.2 | 75% | 0.746 | 76% | 0.759 | S | S | * | * | trans | -84.8 | 55 | 172.2 | -135.5 | -92.1 | 0 | 0 | 0 | 108.9 | F11 C15 | F11-F13 VanDerWaalsContact C-N 3.33Å; F11-F13 AromaticContact CD1-CD2 3.9Å; F11-F13 HydrophobicContact CD1-CD2 3.9Å; F11-F13 HydrophobicContact CE1-CD2 4.26Å; F11-F13 HydrophobicContact CE1-CE2 4.49Å; F11-F13 PolarHBondContact O-N 2.82Å; F13-C15 PolarHBondContact O-N 3.26Å | ||
| 14 | C | 45 | Very low | 46.7 | Very low | 101 Ų | 101 | 139.6 Ų | 139.6 | 68% | 0.682 | 76% | 0.755 | S | S | * | * | trans | -89.2 | 89.1 | 169.9 | -95.3 | 0 | 0 | 0 | 0 | 107.9 | I12 L16 | I12-C14 HydrophobicContact CG2-CB 4.25Å; I12-C14 PolarHBondContact O-N 2.95Å; C14-L16 PolarHBondContact O-N 2.63Å | ||
| 15 | C | 44.2 | Very low | 46.5 | Very low | 98 Ų | 98 | 139.5 Ų | 139.5 | 66% | 0.662 | 75% | 0.751 | S | S | * | * | trans | -52.3 | 85.8 | 162.3 | -75.4 | 0 | 0 | 0 | 0 | 109.8 | F13 V17 | F13-C15 PolarHBondContact O-N 3.26Å; C15-V17 HydrophobicContact CB-CG2 4.37Å; C15-V17 PolarHBondContact O-N 2.66Å | ||
| 16 | L | 49.2 | Very low | 46.3 | Very low | 153 Ų | 153 | 133.3 Ų | 133.3 | 80% | 0.801 | 74% | 0.736 | S | S | * | * | trans | -74.4 | 55.9 | 160.2 | -72.4 | 166.5 | 0 | 0 | 0 | 108.5 | C14 S18 | C14-L16 PolarHBondContact O-N 2.63Å; L16-S18 PolarHBondContact O-N 2.93Å | ||
| 17 | V | 50.6 | Low | 46 | Very low | 115 Ų | 115 | 136.7 Ų | 136.7 | 70% | 0.697 | 74% | 0.74 | S | S | * | * | trans | -79.1 | 71.3 | 156.7 | -172.4 | 0 | 0 | 0 | 0 | 104.4 | C15 T19 | C15-V17 HydrophobicContact CB-CG2 4.37Å; C15-V17 PolarHBondContact O-N 2.66Å; V17-T19 PolarHBondContact O-N 2.96Å | ||
| 18 | S | 54.4 | Low | 46.2 | Very low | 97 Ų | 97 | 133.9 Ų | 133.9 | 68% | 0.678 | 74% | 0.735 | S | S | * | * | trans | -63.8 | 93.7 | 162.3 | -72.1 | 0 | 0 | 0 | 0 | 104.6 | L16 T20 | L16-S18 PolarHBondContact O-N 2.93Å; S18-T20 PolarHBondContact O-N 2.98Å | ||
| 19 | T | 51.5 | Low | 46 | Very low | 100 Ų | 100 | 130.8 Ų | 130.8 | 61% | 0.613 | 73% | 0.728 | S | S | * | * | trans | -38.5 | 112.3 | 165.7 | 46.5 | 0 | 0 | 0 | 0 | 106.1 | V17 L21 | V17-T19 PolarHBondContact O-N 2.96Å; T19-L21 PolarHBondContact O-N 2.88Å | ||
| 20 | T | 44.8 | Very low | 46.5 | Very low | 118 Ų | 118 | 136.1 Ų | 136.1 | 72% | 0.724 | 73% | 0.727 | S | S | * | * | trans | -53 | 93.6 | 154.8 | 38.2 | 0 | 0 | 0 | 0 | 103.8 | S18 Q22 | S18-T20 PolarHBondContact O-N 2.98Å; T20-Q22 PolarHBondContact O-N 3.27Å | ||
| 21 | L | 47.8 | Very low | 46.8 | Very low | 152 Ų | 152 | 131.5 Ų | 131.5 | 80% | 0.796 | 71% | 0.714 | S | S | * | * | trans | -58.7 | 89.8 | 156.8 | -100.9 | 103 | 0 | 0 | 0 | 102.2 | T19 A23 | T19-L21 PolarHBondContact O-N 2.88Å; L21-A23 PolarHBondContact O-N 3.12Å | ||
| 22 | Q | 50 | Low | 47.4 | Very low | 151 Ų | 151 | 126.7 Ų | 126.7 | 71% | 0.706 | 70% | 0.696 | S | S | * | * | trans | -54.4 | 89.2 | 153.5 | -66 | 178.3 | -0.6 | 0 | 0 | 102.6 | T20 I24 | T20-Q22 PolarHBondContact O-N 3.27Å; Q22-I24 HydrophobicContact CB-CG1 4.15Å; Q22-I24 PolarHBondContact O-N 3.11Å | ||
| 23 | A | 44.4 | Very low | 48.3 | Very low | 84 Ų | 84 | 125.9 Ų | 125.9 | 69% | 0.694 | 69% | 0.689 | S | S | * | * | trans | -62 | 78.8 | 158.7 | 0 | 0 | 0 | 0 | 0 | 104 | L21 K25 | L21-A23 PolarHBondContact O-N 3.12Å; A23-K25 PolarHBondContact O-N 3.01Å | ||
| 24 | I | 45.5 | Very low | 50.3 | Low | 142 Ų | 142 | 122.2 Ų | 122.2 | 73% | 0.728 | 68% | 0.677 | S | S | * | * | trans | -64.8 | 71.4 | 152 | -52.8 | 171.9 | 0 | 0 | 0 | 103 | Q22 G26 | Q22-I24 HydrophobicContact CB-CG1 4.15Å; Q22-I24 PolarHBondContact O-N 3.11Å; I24-G26 PolarHBondContact O-N 3.1Å | ||
| 25 | K | 41 | Very low | 52.4 | Low | 189 Ų | 189 | 119.8 Ų | 119.8 | 82% | 0.822 | 66% | 0.655 | S | S | * | * | trans | -62.1 | 77.5 | 141.1 | -91.5 | 179.4 | 174.4 | 172.9 | 0 | 103.3 | A23 K27 | A23-K25 PolarHBondContact O-N 3.01Å; K25-K27 PolarHBondContact O-N 3.12Å | ||
| 26 | G | 37.9 | Very low | 54.7 | Low | 53 Ų | 53 | 118.3 Ų | 118.3 | 55% | 0.546 | 65% | 0.646 | S | S | . | * | trans | -53.3 | 90.2 | 143.2 | 0 | 0 | 0 | 0 | 0 | 103.7 | I24 N28 | I24-G26 PolarHBondContact O-N 3.1Å; G26-N28 PolarHBondContact O-N 3.01Å | ||
| 27 | K | 40.2 | Very low | 56.8 | Low | 197 Ų | 197 | 113.2 Ų | 113.2 | 86% | 0.857 | 62% | 0.619 | S | S | * | * | trans | -53.8 | 86.4 | 144 | -93.6 | 179.7 | 170.1 | -178.9 | 0 | 102.2 | K25 S29 | K25-K27 PolarHBondContact O-N 3.12Å; K27-S29 PolarHBondContact O-N 3.44Å | ||
| 28 | N | 43.3 | Very low | 58.9 | Low | 148 Ų | 148 | 112 Ų | 112 | 79% | 0.791 | 61% | 0.606 | S | S | * | * | trans | -52.9 | 97.5 | 152.2 | -100 | -7.5 | 0 | 0 | 0 | 101.7 | G26 R30 | G26-N28 PolarHBondContact O-N 3.01Å; N28-R30 PolarHBondContact O-N 3.25Å | ||
| 29 | S | 44.5 | Very low | 60.9 | Low | 96 Ų | 96 | 107.7 Ų | 107.7 | 67% | 0.671 | 58% | 0.576 | S | S | * | * | trans | -59 | 86.8 | 167.5 | -172.2 | 0 | 0 | 0 | 0 | 102.4 | K27 V31 | K27-S29 PolarHBondContact O-N 3.44Å; S29-V31 PolarHBondContact O-N 2.88Å | ||
| 30 | R | 51.8 | Low | 63.1 | Low | 179 Ų | 179 | 109.8 Ų | 109.8 | 68% | 0.675 | 58% | 0.576 | S | S | * | * | trans | -59.2 | 98.6 | 157.5 | -73.1 | -175.8 | -171.9 | 171.3 | 1.6 | 100.5 | N28 D32 | N28-R30 PolarHBondContact O-N 3.25Å; R30-D32 PolarHBondContact O-N 2.94Å | ||
| 31 | V | 53.4 | Low | 65.5 | Low | 92 Ų | 92 | 111.6 Ų | 111.6 | 56% | 0.558 | 57% | 0.57 | S | S | * | * | trans | -61.9 | 87 | 165.9 | 173.1 | 0 | 0 | 0 | 0 | 102.6 | S29 Q33 | S29-V31 PolarHBondContact O-N 2.88Å; V31-Q33 HydrophobicContact CG1-CB 4.29Å; V31-Q33 HydrophobicContact CG1-CG 3.6Å; V31-Q33 PolarHBondContact O-N 3.37Å | ||
| 32 | D | 58.6 | Low | 67.8 | Low | 78 Ų | 78 | 107.1 Ų | 107.1 | 42% | 0.417 | 55% | 0.547 | S | S | . | . | trans | -72.7 | 70.2 | -178.1 | -103 | -31.5 | 0 | 0 | 0 | 105.5 | R30 D34 S100 | R30-D32 PolarHBondContact O-N 2.94Å; D32-D34 PolarHBondContact O-N 3.02Å; D32-S100 WeakPolarHBondContact OD1-CB 3.27Å; D32-S100 PolarHBondContact OD1-OG 2.83Å | ||
| 33 | Q | 73.6 | Confident | 69.9 | Low | 131 Ų | 131 | 101.6 Ų | 101.6 | 61% | 0.612 | 52% | 0.521 | S | S | * | . | trans | -83.5 | 115 | -175.3 | -103.1 | 170.9 | 11.7 | 0 | 0 | 108.2 | V31 F35 R55 | V31-Q33 HydrophobicContact CG1-CB 4.29Å; V31-Q33 HydrophobicContact CG1-CG 3.6Å; V31-Q33 PolarHBondContact O-N 3.37Å; Q33-F35 PolarHBondContact O-N 2.84Å; Q33-R55 VanDerWaalsContact O-CZ 3.27Å; Q33-R55 PolarHBondContact O-NH1 3.15Å; Q33-R55 PolarHBondContact O-NH2 3.32Å | ||
| 34 | D | 84.5 | Confident | 72.1 | Confident | 92 Ų | 92 | 98.1 Ų | 98.1 | 49% | 0.492 | 49% | 0.49 | S | S | . | . | trans | -51.1 | 137.5 | 162.7 | -57.6 | -20.3 | 0 | 0 | 0 | 109.1 | D32 T98 F99 S100 | D32-D34 PolarHBondContact O-N 3.02Å; D34-T98 VanDerWaalsContact CA-O 3.24Å; D34-T98 WeakPolarHBondContact CA-O 3.49Å; D34-F99 HydrophobicContact CB-CD1 4.06Å; D34-F99 WeakPolarHBondContact OD1-CA 3.23Å; D34-F99 WeakPolarHBondContact OD2-CD1 3.28Å; D34-S100 PolarHBondContact OD1-N 2.03Å | ||
| 35 | F | 88.6 | Confident | 74.3 | Confident | 50 Ų | 50 | 91.4 Ų | 91.4 | 22% | 0.219 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 162.6 | 178.4 | 73.7 | -91.9 | 0 | 0 | 0 | 110.8 | Q33 I37 R55 E97 T98 | Q33-F35 PolarHBondContact O-N 2.84Å; F35-I37 HydrophobicContact CD2-CB 4.33Å; F35-I37 HydrophobicContact CD2-CD1 3.85Å; F35-I37 HydrophobicContact CD2-CG1 3.61Å; F35-I37 HydrophobicContact CE2-CB 3.95Å; F35-I37 HydrophobicContact CE2-CD1 3.17Å; F35-I37 HydrophobicContact CE2-CG1 3.37Å; F35-I37 HydrophobicContact CZ-CD1 3.97Å; F35-R55 HydrophobicContact CE1-CB 4.28Å; F35-R55 VanDerWaalsContact CE1-NH2 3.33Å; F35-R55 HydrophobicContact CZ-CB 4.43Å; F35-E97 WeakPolarHBondContact O-CA 3.01Å; F35-T98 WeakPolarHBondContact CD1-OG1 3.43Å; F35-T98 HydrophobicContact CE1-CG2 4.23Å; F35-T98 WeakPolarHBondContact CE1-OG1 3.39Å; F35-T98 HydrophobicContact CE2-CG2 3.91Å; F35-T98 WeakPolarHBondContact CE2-OG1 3.45Å; F35-T98 HydrophobicContact CZ-CG2 3.71Å; F35-T98 WeakPolarHBondContact CZ-OG1 3.27Å; F35-T98 PolarHBondContact N-O 3.38Å; F35-T98 VanDerWaalsContact N-O 3.08Å; F35-T98 PolarHBondContact O-N 2.87Å; F35-T98 PolarHBondContact O-OG1 2.83Å |
| 36 | S | 92.6 | Very high | 76.5 | Confident | 68 Ų | 68 | 83.4 Ų | 83.4 | 48% | 0.476 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 130.2 | 175.1 | -176.8 | 0 | 0 | 0 | 0 | 109.8 | F96 I111 | S36-F96 WeakPolarHBondContact CA-O 3.34Å; S36-I111 WeakPolarHBondContact OG-CD1 3.28Å |
| 37 | I | 93 | Very high | 78.8 | Confident | 45 Ų | 45 | 81.7 Ų | 81.7 | 23% | 0.231 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 119.9 | 172.8 | -82.8 | 176.5 | 0 | 0 | 0 | 107.8 | F35 I58 G95 F96 | F35-I37 HydrophobicContact CD2-CB 4.33Å; F35-I37 HydrophobicContact CD2-CD1 3.85Å; F35-I37 HydrophobicContact CD2-CG1 3.61Å; F35-I37 HydrophobicContact CE2-CB 3.95Å; F35-I37 HydrophobicContact CE2-CD1 3.17Å; F35-I37 HydrophobicContact CE2-CG1 3.37Å; F35-I37 HydrophobicContact CZ-CD1 3.97Å; I37-I58 HydrophobicContact CG2-CB 4.29Å; I37-I58 HydrophobicContact CG2-CD1 3.39Å; I37-I58 HydrophobicContact CG2-CG1 3.37Å; I37-I58 HydrophobicContact CG2-CG2 4.24Å; I37-G95 CarbonylContact O-C 3.59Å; I37-G95 WeakPolarHBondContact O-CA 3.44Å; I37-F96 PolarHBondContact N-O 2.8Å; I37-F96 PolarHBondContact O-N 2.96Å |
| 38 | Q | 95.9 | Very high | 80.9 | Confident | 90 Ų | 90 | 72.3 Ų | 72.3 | 42% | 0.421 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 139.6 | -176.5 | -166 | -173.6 | -14.1 | 0 | 0 | 110.8 | A94 I111 | Q38-A94 WeakPolarHBondContact CA-O 3.18Å; Q38-A94 HydrophobicContact CG-CB 4.17Å; Q38-A94 WeakPolarHBondContact CG-O 3.16Å; Q38-I111 HydrophobicContact CB-CD1 4.09Å; Q38-I111 HydrophobicContact CG-CD1 4.23Å; Q38-I111 HydrophobicContact CG-CG2 4.17Å |
| 39 | C | 95.7 | Very high | 82.9 | Confident | 6 Ų | 6 | 65.8 Ų | 65.8 | 4% | 0.041 | 33% | 0.328 | C | S | . | . | trans | -67.3 | 157.5 | 169.2 | -61.4 | 0 | 0 | 0 | 0 | 111.8 | E43 Y44 C60 A94 | C39-E43 HydrophobicContact CB-CB 3.89Å; C39-Y44 VanDerWaalsContact SG-C 3.55Å; C39-C60 WeakPolarHBondContact CA-SG 3.02Å; C39-C60 HydrophobicContact CB-CB 3.74Å; C39-C60 WeakPolarHBondContact CB-SG 3.48Å; C39-C60 VanDerWaalsContact SG-CA 3.6Å; C39-C60 WeakPolarHBondContact SG-CB 3.41Å; C39-C60 CovalentContact SG-SG 2.03Å; C39-C60 PolarHBondContact SG-SG 2.81Å; C39-A94 PolarHBondContact N-O 3.24Å | ||
| 40 | K | 97.2 | Very high | 84.7 | Confident | 144 Ų | 144 | 65 Ų | 65 | 63% | 0.626 | 31% | 0.31 | S | S | * | . | trans | -63.5 | 161.6 | 175 | -62.2 | 175.5 | -176 | 169.7 | 0 | 110.8 | N42 E43 | K40-N42 WeakPolarHBondContact CB-OD1 3.34Å; K40-N42 PolarHBondContact O-N 3.11Å; K40-E43 HydrophobicContact CB-CB 4.43Å; K40-E43 HydrophobicContact CB-CG 4.19Å; K40-E43 WeakPolarHBondContact CB-OE2 3.35Å; K40-E43 PolarHBondContact N-OE2 3.26Å; K40-E43 VanDerWaalsContact N-OE2 3.17Å; K40-E43 PolarHBondContact O-N 3.21Å | ||
| 41 | R | 96.3 | Very high | 86.1 | Confident | 156 Ų | 156 | 59.4 Ų | 59.4 | 59% | 0.589 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -26.8 | -177.7 | -64 | 179.9 | 89.5 | 153.5 | 6.9 | 113.5 | K68 A69 E70 | R41-K68 CarbonylContact O-C 3.54Å; R41-K68 VanDerWaalsContact O-CA 3.27Å; R41-K68 WeakPolarHBondContact O-CA 3.46Å; R41-A69 HydrophobicContact CB-CB 4.32Å; R41-A69 PolarHBondContact NE-O 2.75Å; R41-A69 WeakPolarHBondContact O-CB 3.47Å; R41-A69 PolarHBondContact O-N 3.33Å; R41-E70 PolarHBondContact NH2-O 3.39Å |
| 42 | N | 95.4 | Very high | 87.4 | Confident | 58 Ų | 58 | 61.2 Ų | 61.2 | 31% | 0.31 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 13.7 | 177.7 | 66.5 | -48.1 | 0 | 0 | 0 | 113.3 | K40 L63 K68 | K40-N42 WeakPolarHBondContact CB-OD1 3.34Å; K40-N42 PolarHBondContact O-N 3.11Å; N42-L63 PolarHBondContact O-N 2.84Å; N42-K68 HydrophobicContact CB-CD 4.42Å; N42-K68 HydrophobicContact CB-CG 3.92Å |
| 43 | E | 94.4 | Very high | 88.3 | Confident | 36 Ų | 36 | 62.4 Ų | 62.4 | 17% | 0.168 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 168.1 | -176.6 | -67.6 | 170.7 | 172.9 | 0 | 0 | 110.8 | C39 K40 C60 Q61 | C39-E43 HydrophobicContact CB-CB 3.89Å; K40-E43 HydrophobicContact CB-CB 4.43Å; K40-E43 HydrophobicContact CB-CG 4.19Å; K40-E43 WeakPolarHBondContact CB-OE2 3.35Å; K40-E43 PolarHBondContact N-OE2 3.26Å; K40-E43 VanDerWaalsContact N-OE2 3.17Å; K40-E43 PolarHBondContact O-N 3.21Å; E43-C60 HydrophobicContact CB-CB 4.25Å; E43-Q61 CarbonylContact C-O 3.58Å; E43-Q61 WeakPolarHBondContact CA-O 3.38Å; E43-Q61 WeakPolarHBondContact CB-O 3.38Å |
| 44 | Y | 91 | Very high | 88.4 | Confident | 11 Ų | 11 | 57.5 Ų | 57.5 | 4% | 0.043 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 158.1 | 174.2 | 70.1 | -81.6 | 0 | 0 | 0 | 110.9 | C39 D46 C60 Q61 P62 L63 P147 W148 L149 | C39-Y44 VanDerWaalsContact SG-C 3.55Å; Y44-D46 HydrophobicContact CE2-CB 4.11Å; Y44-D46 PolarHBondContact O-N 3.17Å; Y44-C60 WeakPolarHBondContact O-CA 3.47Å; Y44-Q61 HydrophobicContact CD1-CB 4.27Å; Y44-Q61 WeakPolarHBondContact CD1-O 3.11Å; Y44-Q61 HydrophobicContact CE1-CB 3.62Å; Y44-Q61 WeakPolarHBondContact CE1-O 3.45Å; Y44-Q61 HydrophobicContact CE2-CB 4.5Å; Y44-Q61 PolarHBondContact N-O 3.24Å; Y44-Q61 PolarHBondContact O-N 3.26Å; Y44-P62 WeakPolarHBondContact CE1-O 3.3Å; Y44-L63 HydrophobicContact CD1-CD2 3.88Å; Y44-L63 HydrophobicContact CD1-CG 4.32Å; Y44-L63 HydrophobicContact CG-CD2 4.27Å; Y44-P147 HydrophobicContact CE1-CB 4.23Å; Y44-P147 WeakPolarHBondContact OH-CB 3.17Å; Y44-W148 WeakPolarHBondContact CD2-O 3.01Å; Y44-W148 WeakPolarHBondContact CE2-O 3.07Å; Y44-L149 HydrophobicContact CD1-CD2 4.22Å; Y44-L149 HydrophobicContact CD2-CD2 3.78Å; Y44-L149 HydrophobicContact CG-CD2 3.52Å |
| 45 | V | 91.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 116.9 | 173.5 | 179.8 | 0 | 0 | 0 | 0 | 109 | I48 I58 L93 Y150 | V45-I48 HydrophobicContact CG1-CD1 4.39Å; V45-I48 HydrophobicContact CG1-CG1 3.85Å; V45-I58 HydrophobicContact CG1-CB 4.29Å; V45-I58 HydrophobicContact CG1-CG2 4.39Å; V45-I58 HydrophobicContact CG2-CD1 4.04Å; V45-L93 HydrophobicContact CB-CD2 4.17Å; V45-L93 HydrophobicContact CB-CG 4.47Å; V45-L93 HydrophobicContact CG1-CD2 4.11Å; V45-L93 HydrophobicContact CG2-CD2 4.05Å; V45-L93 HydrophobicContact CG2-CG 4.01Å; V45-L93 WeakPolarHBondContact CG2-O 3.32Å; V45-Y150 WeakPolarHBondContact O-CD2 3.29Å; V45-Y150 WeakPolarHBondContact O-CE2 3.46Å |
| 46 | D | 87 | Confident | 87.9 | Confident | 21 Ų | 21 | 53.5 Ų | 53.5 | 11% | 0.112 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | -33.6 | 176.7 | -177.4 | 67.4 | 0 | 0 | 0 | 112.4 | Y44 G59 Q61 R140 Y150 | Y44-D46 HydrophobicContact CE2-CB 4.11Å; Y44-D46 PolarHBondContact O-N 3.17Å; D46-G59 PolarHBondContact N-O 2.92Å; D46-Q61 HydrophobicContact CB-CB 3.97Å; D46-Q61 HydrophobicContact CB-CG 3.52Å; D46-R140 WeakPolarHBondContact OD1-CD 3.38Å; D46-R140 IonicContact OD1-NE 3.93Å; D46-Y150 PolarHBondContact O-OH 3.26Å |
| 47 | S | 85.8 | Confident | 87.7 | Confident | 18 Ų | 18 | 53.6 Ų | 53.6 | 13% | 0.126 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 153 | 179.4 | 58.2 | 0 | 0 | 0 | 0 | 111.9 | I58 G59 | S47-I58 CarbonylContact O-C 3.47Å; S47-I58 VanDerWaalsContact O-CA 3.25Å; S47-I58 WeakPolarHBondContact O-CA 3.3Å; S47-G59 PolarHBondContact N-O 2.85Å; S47-G59 PolarHBondContact O-N 3.28Å; S47-G59 WeakPolarHBondContact OG-CA 3.15Å; S47-G59 PolarHBondContact OG-N 2.8Å |
| 48 | I | 85.5 | Confident | 87.5 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 129.6 | 174.8 | -56.8 | 172.5 | 0 | 0 | 0 | 107 | V45 I56 N57 I58 L93 F96 L131 A137 L170 M172 | V45-I48 HydrophobicContact CG1-CD1 4.39Å; V45-I48 HydrophobicContact CG1-CG1 3.85Å; I48-I56 HydrophobicContact CG2-CD1 4.14Å; I48-I56 HydrophobicContact CG2-CG2 4.48Å; I48-N57 CarbonylContact C-O 3.49Å; I48-N57 WeakPolarHBondContact CA-O 3.37Å; I48-I58 HydrophobicContact CG1-CG2 4.31Å; I48-L93 HydrophobicContact CD1-CD2 4.23Å; I48-F96 HydrophobicContact CD1-CE2 3.66Å; I48-F96 HydrophobicContact CD1-CZ 3.91Å; I48-F96 HydrophobicContact CG1-CE2 4.29Å; I48-L131 HydrophobicContact CG2-CB 4.44Å; I48-L131 HydrophobicContact CG2-CD2 4.35Å; I48-A137 WeakPolarHBondContact O-CA 3.2Å; I48-A137 WeakPolarHBondContact O-CB 3.46Å; I48-L170 HydrophobicContact CD1-CD1 4.27Å; I48-L170 HydrophobicContact CG2-CD1 4.22Å; I48-M172 HydrophobicContact CD1-CE 3.99Å; I48-M172 HydrophobicContact CD1-SD 3.33Å; I48-M172 WeakPolarHBondContact CD1-SD 3.36Å |
| 49 | G | 84.3 | Confident | 87.1 | Confident | 10 Ų | 10 | 49.1 Ų | 49.1 | 10% | 0.103 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | -168.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I56 N57 | G49-I56 WeakPolarHBondContact O-CA 3.49Å; G49-N57 PolarHBondContact N-O 2.66Å; G49-N57 PolarHBondContact O-N 2.75Å |
| 50 | R | 82.3 | Confident | 86.9 | Confident | 80 Ų | 80 | 50.8 Ų | 50.8 | 30% | 0.302 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 143.5 | 164.3 | -70.6 | -179.7 | 173.8 | -119.7 | 3.4 | 109.9 | G54 R55 G135 | R50-G54 WeakPolarHBondContact CD-O 3.19Å; R50-G54 WeakPolarHBondContact CG-O 3.47Å; R50-G54 PolarHBondContact NH1-O 2.04Å; R50-R55 CarbonylContact C-O 3.55Å; R50-R55 WeakPolarHBondContact CA-O 3.19Å; R50-G135 PolarHBondContact N-O 2.82Å |
| 51 | N | 82.5 | Confident | 86.6 | Confident | 61 Ų | 61 | 48.5 Ų | 48.5 | 33% | 0.326 | 27% | 0.265 | S | S | . | . | trans | -81 | -176 | 172.9 | 67.7 | 9.9 | 0 | 0 | 0 | 111.2 | T53 G54 R55 N57 | N51-T53 PolarHBondContact ND2-OG1 3.45Å; N51-T53 PolarHBondContact O-N 2.83Å; N51-T53 PolarHBondContact OD1-N 3.5Å; N51-T53 VanDerWaalsContact OD1-N 3.08Å; N51-T53 PolarHBondContact OD1-OG1 2.87Å; N51-G54 PolarHBondContact O-N 2.85Å; N51-G54 PolarHBondContact OD1-N 3.28Å; N51-G54 VanDerWaalsContact OD1-N 3.13Å; N51-R55 PolarHBondContact N-O 2.8Å; N51-R55 PolarHBondContact OD1-N 3.37Å; N51-R55 PolarHBondContact OD1-O 3.45Å; N51-N57 HydrophobicContact CB-CB 4.3Å | ||
| 52 | S | 79.7 | Confident | 86.4 | Confident | 131 Ų | 131 | 44.7 Ų | 44.7 | 92% | 0.916 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -24.1 | 179.6 | 52.3 | 0 | 0 | 0 | 0 | 114.1 | G54 | S52-G54 VanDerWaalsContact C-N 3.29Š|
| 53 | T | 76.9 | Confident | 86.3 | Confident | 103 Ų | 103 | 42.1 Ų | 42.1 | 63% | 0.632 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -0.4 | 175.4 | 64.5 | 0 | 0 | 0 | 0 | 112.8 | N51 R55 | N51-T53 PolarHBondContact ND2-OG1 3.45Å; N51-T53 PolarHBondContact O-N 2.83Å; N51-T53 PolarHBondContact OD1-N 3.5Å; N51-T53 VanDerWaalsContact OD1-N 3.08Å; N51-T53 PolarHBondContact OD1-OG1 2.87Å; T53-R55 VanDerWaalsContact C-N 3.33Å |
| 54 | G | 75.6 | Confident | 86 | Confident | 28 Ų | 28 | 46.4 Ų | 46.4 | 29% | 0.289 | 26% | 0.262 | S | S | . | . | S | Bend | trans | 82.9 | 3.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | R50 N51 S52 | R50-G54 WeakPolarHBondContact CD-O 3.19Å; R50-G54 WeakPolarHBondContact CG-O 3.47Å; R50-G54 PolarHBondContact NH1-O 2.04Å; N51-G54 PolarHBondContact O-N 2.85Å; N51-G54 PolarHBondContact OD1-N 3.28Å; N51-G54 VanDerWaalsContact OD1-N 3.13Å; S52-G54 VanDerWaalsContact C-N 3.29Å |
| 55 | R | 80.2 | Confident | 85.9 | Confident | 55 Ų | 55 | 51.6 Ų | 51.6 | 21% | 0.208 | 29% | 0.29 | C | S | . | . | trans | -81.3 | 150.3 | 178.7 | -56.5 | -164.2 | 81.5 | 173.3 | 4.3 | 111.5 | Q33 F35 R50 N51 T53 N57 S100 E106 | Q33-R55 VanDerWaalsContact O-CZ 3.27Å; Q33-R55 PolarHBondContact O-NH1 3.15Å; Q33-R55 PolarHBondContact O-NH2 3.32Å; F35-R55 HydrophobicContact CE1-CB 4.28Å; F35-R55 VanDerWaalsContact CE1-NH2 3.33Å; F35-R55 HydrophobicContact CZ-CB 4.43Å; R50-R55 CarbonylContact C-O 3.55Å; R50-R55 WeakPolarHBondContact CA-O 3.19Å; N51-R55 PolarHBondContact N-O 2.8Å; N51-R55 PolarHBondContact OD1-N 3.37Å; N51-R55 PolarHBondContact OD1-O 3.45Å; T53-R55 VanDerWaalsContact C-N 3.33Å; R55-N57 PolarHBondContact O-N 3.18Å; R55-S100 PolarHBondContact NH2-OG 2.05Å; R55-E106 WeakPolarHBondContact CB-OE1 3.22Å; R55-E106 WeakPolarHBondContact CG-OE1 3.47Å; R55-E106 IonicContact CZ-OE1 3.71Å; R55-E106 IonicContact NE-OE1 2.92Å; R55-E106 PolarHBondContact NE-OE1 2.84Å; R55-E106 IonicContact NH2-OE1 3.59Å | ||
| 56 | I | 83.9 | Confident | 85.7 | Confident | 3 Ų | 3 | 58.2 Ų | 58.2 | 2% | 0.015 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.3 | 134.8 | 173.2 | -74.9 | -107.6 | 0 | 0 | 0 | 110 | I48 G49 T98 E106 L108 L131 L170 | I48-I56 HydrophobicContact CG2-CD1 4.14Å; I48-I56 HydrophobicContact CG2-CG2 4.48Å; G49-I56 WeakPolarHBondContact O-CA 3.49Å; I56-T98 HydrophobicContact CB-CG2 4.36Å; I56-T98 HydrophobicContact CG2-CG2 4.32Å; I56-E106 WeakPolarHBondContact CB-OE2 3.03Å; I56-E106 WeakPolarHBondContact CG1-OE2 3Å; I56-E106 PolarHBondContact N-OE2 3.44Å; I56-L108 HydrophobicContact CB-CD2 4.38Å; I56-L108 HydrophobicContact CD1-CD1 3.75Å; I56-L108 HydrophobicContact CD1-CD2 4.08Å; I56-L108 HydrophobicContact CG1-CD1 4.5Å; I56-L108 HydrophobicContact CG1-CD2 3.95Å; I56-L108 HydrophobicContact CG2-CD2 4.39Å; I56-L131 HydrophobicContact CD1-CD2 3.68Å; I56-L170 HydrophobicContact CD1-CD1 4.48Å |
| 57 | N | 87.6 | Confident | 86 | Confident | 69 Ų | 69 | 57.5 Ų | 57.5 | 37% | 0.369 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 155 | 172 | -169.3 | 22.6 | 0 | 0 | 0 | 109.8 | I48 G49 N51 R55 | I48-N57 CarbonylContact C-O 3.49Å; I48-N57 WeakPolarHBondContact CA-O 3.37Å; G49-N57 PolarHBondContact N-O 2.66Å; G49-N57 PolarHBondContact O-N 2.75Å; N51-N57 HydrophobicContact CB-CB 4.3Å; R55-N57 PolarHBondContact O-N 3.18Å |
| 58 | I | 88.6 | Confident | 86.5 | Confident | 19 Ų | 19 | 62.7 Ų | 62.7 | 10% | 0.097 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 149.2 | 178.4 | 73 | -175.5 | 0 | 0 | 0 | 111.1 | I37 V45 S47 I48 F96 | I37-I58 HydrophobicContact CG2-CB 4.29Å; I37-I58 HydrophobicContact CG2-CD1 3.39Å; I37-I58 HydrophobicContact CG2-CG1 3.37Å; I37-I58 HydrophobicContact CG2-CG2 4.24Å; V45-I58 HydrophobicContact CG1-CB 4.29Å; V45-I58 HydrophobicContact CG1-CG2 4.39Å; V45-I58 HydrophobicContact CG2-CD1 4.04Å; S47-I58 CarbonylContact O-C 3.47Å; S47-I58 VanDerWaalsContact O-CA 3.25Å; S47-I58 WeakPolarHBondContact O-CA 3.3Å; I48-I58 HydrophobicContact CG1-CG2 4.31Å; I58-F96 HydrophobicContact CG2-CD2 4.22Å; I58-F96 HydrophobicContact CG2-CE2 4.43Å |
| 59 | G | 88.7 | Confident | 87 | Confident | 23 Ų | 23 | 63 Ų | 63 | 24% | 0.237 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 134.2 | 163 | 0 | 0 | 0 | 0 | 0 | 110 | D46 S47 | D46-G59 PolarHBondContact N-O 2.92Å; S47-G59 PolarHBondContact N-O 2.85Å; S47-G59 PolarHBondContact O-N 3.28Å; S47-G59 WeakPolarHBondContact OG-CA 3.15Å; S47-G59 PolarHBondContact OG-N 2.8Å |
| 60 | C | 91.6 | Very high | 87.5 | Confident | 41 Ų | 41 | 66.4 Ų | 66.4 | 28% | 0.277 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 144 | -179.9 | -61 | 0 | 0 | 0 | 0 | 110.9 | C39 E43 Y44 | C39-C60 WeakPolarHBondContact CA-SG 3.02Å; C39-C60 HydrophobicContact CB-CB 3.74Å; C39-C60 WeakPolarHBondContact CB-SG 3.48Å; C39-C60 VanDerWaalsContact SG-CA 3.6Å; C39-C60 WeakPolarHBondContact SG-CB 3.41Å; C39-C60 CovalentContact SG-SG 2.03Å; C39-C60 PolarHBondContact SG-SG 2.81Å; E43-C60 HydrophobicContact CB-CB 4.25Å; Y44-C60 WeakPolarHBondContact O-CA 3.47Å |
| 61 | Q | 90.6 | Very high | 88.2 | Confident | 95 Ų | 95 | 69.3 Ų | 69.3 | 44% | 0.444 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 147 | 174.1 | -76.3 | -68.4 | -37.4 | 0 | 0 | 110.5 | E43 Y44 D46 | E43-Q61 CarbonylContact C-O 3.58Å; E43-Q61 WeakPolarHBondContact CA-O 3.38Å; E43-Q61 WeakPolarHBondContact CB-O 3.38Å; Y44-Q61 HydrophobicContact CD1-CB 4.27Å; Y44-Q61 WeakPolarHBondContact CD1-O 3.11Å; Y44-Q61 HydrophobicContact CE1-CB 3.62Å; Y44-Q61 WeakPolarHBondContact CE1-O 3.45Å; Y44-Q61 HydrophobicContact CE2-CB 4.5Å; Y44-Q61 PolarHBondContact N-O 3.24Å; Y44-Q61 PolarHBondContact O-N 3.26Å; D46-Q61 HydrophobicContact CB-CB 3.97Å; D46-Q61 HydrophobicContact CB-CG 3.52Å |
| 62 | P | 92.3 | Very high | 88.9 | Confident | 76 Ų | 76 | 68.5 Ų | 68.5 | 49% | 0.494 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 139.6 | 176.9 | -23.6 | 34.1 | 0 | 0 | 0 | 112.6 | Y44 | Y44-P62 WeakPolarHBondContact CE1-O 3.3Å |
| 63 | L | 91.7 | Very high | 89.8 | Confident | 5 Ų | 5 | 65.7 Ų | 65.7 | 3% | 0.026 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -67 | 143 | 165.4 | -69.5 | 167.5 | 0 | 0 | 0 | 109.7 | N42 Y44 L67 W92 L149 Y177 | N42-L63 PolarHBondContact O-N 2.84Å; Y44-L63 HydrophobicContact CD1-CD2 3.88Å; Y44-L63 HydrophobicContact CD1-CG 4.32Å; Y44-L63 HydrophobicContact CG-CD2 4.27Å; L63-L67 HydrophobicContact CB-CB 4.01Å; L63-L67 WeakPolarHBondContact CB-O 3.48Å; L63-L67 HydrophobicContact CD1-CB 4.42Å; L63-L67 WeakPolarHBondContact CD1-O 3.08Å; L63-W92 HydrophobicContact CD1-CZ2 4.02Å; L63-L149 HydrophobicContact CD2-CD2 3.81Å; L63-Y177 WeakPolarHBondContact CA-OH 3.42Å; L63-Y177 HydrophobicContact CD2-CE2 3.92Å |
| 64 | R | 89.5 | Confident | 90.7 | Very high | 126 Ų | 126 | 64.1 Ų | 64.1 | 48% | 0.475 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -60.6 | 156 | 175.9 | -84.4 | -176.5 | 174.3 | -175.3 | -1.9 | 112.5 | N66 L67 K145 P147 Y177 | R64-N66 PolarHBondContact O-N 2.8Å; R64-N66 VanDerWaalsContact O-N 3.1Å; R64-L67 VanDerWaalsContact O-CB 3.3Å; R64-L67 WeakPolarHBondContact O-CB 3.45Å; R64-L67 WeakPolarHBondContact O-CD1 3.37Å; R64-L67 WeakPolarHBondContact O-CG 3.2Å; R64-L67 PolarHBondContact O-N 3.45Å; R64-K145 PolarHBondContact NH2-O 2.86Å; R64-P147 HydrophobicContact CG-CG 3.89Å; R64-Y177 HydrophobicContact CB-CE2 4.42Å; R64-Y177 PolarHBondContact N-OH 3.4Å; R64-Y177 VanDerWaalsContact N-OH 3.11Å |
| 65 | N | 88.2 | Confident | 91.7 | Very high | 119 Ų | 119 | 63.7 Ų | 63.7 | 64% | 0.636 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | 54.9 | 29.7 | 171.7 | -53.9 | -24.9 | 0 | 0 | 0 | 113.6 | L67 | N65-L67 HydrophobicContact CB-CG 4.44Å; N65-L67 PolarHBondContact O-N 2.97Å; N65-L67 VanDerWaalsContact O-N 3.12Å |
| 66 | N | 86.9 | Confident | 92.4 | Very high | 139 Ų | 139 | 69.6 Ų | 69.6 | 74% | 0.743 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | 53.5 | 30 | -175.3 | -60.6 | -40.6 | 0 | 0 | 0 | 113.4 | R64 | R64-N66 PolarHBondContact O-N 2.8Å; R64-N66 VanDerWaalsContact O-N 3.1Å |
| 67 | L | 93.6 | Very high | 92.9 | Very high | 7 Ų | 7 | 71.4 Ų | 71.4 | 4% | 0.037 | 37% | 0.365 | C | S | . | . | trans | -61.6 | 149.3 | 172.7 | -68.4 | 167.8 | 0 | 0 | 0 | 109.9 | L63 R64 N65 K117 V118 Y177 K179 | L63-L67 HydrophobicContact CB-CB 4.01Å; L63-L67 WeakPolarHBondContact CB-O 3.48Å; L63-L67 HydrophobicContact CD1-CB 4.42Å; L63-L67 WeakPolarHBondContact CD1-O 3.08Å; R64-L67 VanDerWaalsContact O-CB 3.3Å; R64-L67 WeakPolarHBondContact O-CB 3.45Å; R64-L67 WeakPolarHBondContact O-CD1 3.37Å; R64-L67 WeakPolarHBondContact O-CG 3.2Å; R64-L67 PolarHBondContact O-N 3.45Å; N65-L67 HydrophobicContact CB-CG 4.44Å; N65-L67 PolarHBondContact O-N 2.97Å; N65-L67 VanDerWaalsContact O-N 3.12Å; L67-K117 HydrophobicContact CD2-CB 3.7Å; L67-K117 WeakPolarHBondContact CD2-O 3.29Å; L67-V118 HydrophobicContact CB-CG2 4.04Å; L67-V118 HydrophobicContact CD1-CG2 4.12Å; L67-V118 HydrophobicContact CD2-CG2 4.39Å; L67-V118 HydrophobicContact CG-CG2 4.41Å; L67-Y177 HydrophobicContact CD1-CD2 4.49Å; L67-Y177 HydrophobicContact CD1-CE2 4.26Å; L67-K179 HydrophobicContact CD1-CB 4.29Å; L67-K179 HydrophobicContact CD2-CB 4.35Å; L67-K179 HydrophobicContact CD2-CG 4.15Å | ||
| 68 | K | 95.5 | Very high | 93.1 | Very high | 126 Ų | 126 | 68.1 Ų | 68.1 | 55% | 0.548 | 35% | 0.348 | S | S | . | . | trans | -139.4 | 147 | -178.3 | -53.4 | -172.9 | -178.1 | 177.8 | 0 | 110.8 | R41 N42 E70 S115 | R41-K68 CarbonylContact O-C 3.54Å; R41-K68 VanDerWaalsContact O-CA 3.27Å; R41-K68 WeakPolarHBondContact O-CA 3.46Å; N42-K68 HydrophobicContact CB-CD 4.42Å; N42-K68 HydrophobicContact CB-CG 3.92Å; K68-E70 PolarHBondContact O-N 2.9Å; K68-S115 WeakPolarHBondContact O-CB 3.1Å; K68-S115 PolarHBondContact O-OG 2.87Å | ||
| 69 | A | 96.3 | Very high | 93.3 | Very high | 6 Ų | 6 | 73.5 Ų | 73.5 | 5% | 0.05 | 37% | 0.372 | C | S | . | . | trans | -59.5 | 126.8 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | R41 W92 C113 | R41-A69 HydrophobicContact CB-CB 4.32Å; R41-A69 PolarHBondContact NE-O 2.75Å; R41-A69 WeakPolarHBondContact O-CB 3.47Å; R41-A69 PolarHBondContact O-N 3.33Å; A69-W92 HydrophobicContact CB-CH2 4.16Å; A69-W92 HydrophobicContact CB-CZ2 3.8Å; A69-C113 HydrophobicContact CB-CB 3.68Å | ||
| 70 | E | 95.7 | Very high | 93.2 | Very high | 83 Ų | 83 | 73.3 Ų | 73.3 | 39% | 0.388 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -89.7 | -49.5 | 174.2 | -68.9 | 176.4 | 168.1 | 0 | 0 | 109.9 | R41 K68 T114 K116 | R41-E70 PolarHBondContact NH2-O 3.39Å; K68-E70 PolarHBondContact O-N 2.9Å; E70-T114 PolarHBondContact N-O 3.41Å; E70-K116 WeakPolarHBondContact OE2-CB 3.48Å; E70-K116 WeakPolarHBondContact OE2-CG 3.46Å; E70-K116 PolarHBondContact OE2-N 2.98Å |
| 71 | K | 97.2 | Very high | 93.1 | Very high | 141 Ų | 141 | 75.9 Ų | 75.9 | 61% | 0.613 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127 | 141.3 | 178.8 | -173.7 | 174.8 | -177.7 | 177.3 | 0 | 110.1 | C113 T114 | K71-C113 CarbonylContact O-C 3.53Å; K71-C113 VanDerWaalsContact O-CA 3.22Å; K71-C113 WeakPolarHBondContact O-CA 3.3Å; K71-T114 PolarHBondContact N-O 2.91Å; K71-T114 PolarHBondContact O-N 2.9Å |
| 72 | C | 97.6 | Very high | 93.1 | Very high | 44 Ų | 44 | 72.2 Ų | 72.2 | 30% | 0.297 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 150.4 | 170.7 | -56.7 | 0 | 0 | 0 | 0 | 109.8 | C112 C113 | C72-C112 CarbonylContact C-O 3.48Å; C72-C112 WeakPolarHBondContact CA-O 3.19Å; C72-C113 HydrophobicContact CB-CB 4.17Å; C72-C113 WeakPolarHBondContact CB-SG 3.02Å; C72-C113 WeakPolarHBondContact SG-CB 3.46Å; C72-C113 CovalentContact SG-SG 2.05Å; C72-C113 PolarHBondContact SG-SG 2.83Å |
| 73 | F | 97.8 | Very high | 93.1 | Very high | 72 Ų | 72 | 71 Ų | 71 | 32% | 0.316 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 156.6 | -179.3 | 60.8 | -86.5 | 0 | 0 | 0 | 109.7 | P88 A91 C112 T114 | F73-P88 HydrophobicContact CE2-CG 4.06Å; F73-P88 HydrophobicContact CZ-CG 3.67Å; F73-A91 HydrophobicContact CE1-CB 4.19Å; F73-A91 HydrophobicContact CZ-CB 3.96Å; F73-C112 HydrophobicContact CD1-CB 4.48Å; F73-C112 WeakPolarHBondContact CD1-O 3.25Å; F73-C112 HydrophobicContact CD2-CB 4.23Å; F73-C112 HydrophobicContact CE1-CB 4.01Å; F73-C112 HydrophobicContact CE2-CB 3.72Å; F73-C112 HydrophobicContact CZ-CB 3.6Å; F73-C112 PolarHBondContact N-O 2.84Å; F73-C112 PolarHBondContact O-N 3.49Å; F73-T114 HydrophobicContact CE1-CG2 4.08Å |
| 74 | T | 96.7 | Very high | 93.1 | Very high | 69 Ų | 69 | 75.8 Ų | 75.8 | 42% | 0.423 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 135 | 173.5 | 46.5 | 0 | 0 | 0 | 0 | 110.2 | E97 P110 I111 | T74-E97 HydrophobicContact CG2-CG 4.27Å; T74-P110 WeakPolarHBondContact CA-O 3.22Å; T74-I111 HydrophobicContact CG2-CG1 4.16Å |
| 75 | A | 95.8 | Very high | 93.4 | Very high | 19 Ų | 19 | 71.5 Ų | 71.5 | 16% | 0.157 | 38% | 0.378 | C | S | . | . | trans | -82.8 | -178.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | R109 P110 | A75-R109 VanDerWaalsContact O-CD 3.28Å; A75-R109 WeakPolarHBondContact O-CD 3.46Å; A75-R109 WeakPolarHBondContact O-CG 3.45Å; A75-P110 HydrophobicContact CB-CB 4.13Å; A75-P110 HydrophobicContact CB-CG 4.38Å; A75-P110 PolarHBondContact N-O 2.87Å | ||
| 76 | K | 95 | Very high | 93.7 | Very high | 180 Ų | 180 | 66.5 Ų | 66.5 | 78% | 0.783 | 36% | 0.355 | S | S | * | . | P | Polyproline II helix | trans | -67.1 | 148.2 | 170.5 | -68.6 | -177.5 | 179 | -177.7 | 0 | 110.3 | P110 | K76-P110 WeakPolarHBondContact O-CD 3.36Š|
| 77 | P | 93.6 | Very high | 94.1 | Very high | 40 Ų | 40 | 60.3 Ų | 60.3 | 26% | 0.26 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -54 | 140.4 | 170.1 | -21.3 | 30.3 | 0 | 0 | 0 | 111.6 | Q79 L107 L108 R109 | P77-Q79 PolarHBondContact O-N 3.17Å; P77-L107 HydrophobicContact CB-CD1 3.99Å; P77-L107 HydrophobicContact CB-CD2 3.82Å; P77-L107 HydrophobicContact CB-CG 3.92Å; P77-L107 HydrophobicContact CG-CD2 4.35Å; P77-L108 WeakPolarHBondContact CA-O 3.14Å; P77-R109 HydrophobicContact CG-CB 4.5Å; P77-R109 HydrophobicContact CG-CG 4.4Å |
| 78 | L | 92.5 | Very high | 94.1 | Very high | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 128.3 | 174.1 | -59.7 | -178.8 | 0 | 0 | 0 | 109.4 | C80 E85 F96 L107 L108 P110 I153 C155 L170 | L78-C80 VanDerWaalsContact C-N 3.34Å; L78-E85 HydrophobicContact CD2-CB 3.64Å; L78-F96 HydrophobicContact CD1-CE1 4.48Å; L78-L107 WeakPolarHBondContact O-CD1 3.12Å; L78-L108 HydrophobicContact CD1-CB 4.06Å; L78-L108 HydrophobicContact CD1-CD1 4.5Å; L78-L108 HydrophobicContact CG-CB 4.45Å; L78-L108 WeakPolarHBondContact CG-O 3.27Å; L78-L108 PolarHBondContact N-O 2.87Å; L78-P110 HydrophobicContact CD2-CG 3.79Å; L78-P110 HydrophobicContact CG-CG 4.04Å; L78-I153 HydrophobicContact CD1-CB 4.37Å; L78-I153 HydrophobicContact CD1-CD1 4.42Å; L78-I153 HydrophobicContact CD1-CG2 3.7Å; L78-I153 HydrophobicContact CD2-CB 4.19Å; L78-I153 HydrophobicContact CD2-CG2 4.34Å; L78-C155 HydrophobicContact CB-CB 4.37Å; L78-C155 HydrophobicContact CD1-CB 4.16Å; L78-L170 HydrophobicContact CD1-CD2 4.19Å |
| 79 | Q | 91.8 | Very high | 93.7 | Very high | 131 Ų | 131 | 66.2 Ų | 66.2 | 61% | 0.612 | 35% | 0.354 | S | S | * | . | trans | -81.2 | -20.3 | 177.3 | -62.7 | -179.3 | 8.4 | 0 | 0 | 112.2 | P77 T81 E85 | P77-Q79 PolarHBondContact O-N 3.17Å; Q79-T81 VanDerWaalsContact C-N 3.25Å; Q79-T81 HydrophobicContact CB-CG2 3.96Å; Q79-T81 PolarHBondContact O-N 3.06Å; Q79-E85 PolarHBondContact N-OE1 2.74Å; Q79-E85 PolarHBondContact N-OE2 2.98Å; Q79-E85 VanDerWaalsContact N-OE2 3.1Å | ||
| 80 | C | 88 | Confident | 93.4 | Very high | 19 Ų | 19 | 74 Ų | 74 | 13% | 0.128 | 39% | 0.387 | C | S | . | . | trans | 57.5 | 35.8 | 179.4 | -60.4 | 0 | 0 | 0 | 0 | 114.6 | L78 E85 C155 L157 | L78-C80 VanDerWaalsContact C-N 3.34Å; C80-E85 PolarHBondContact N-OE1 2.83Å; C80-C155 CarbonylContact C-O 3.53Å; C80-C155 WeakPolarHBondContact CA-O 3.21Å; C80-C155 HydrophobicContact CB-CB 3.7Å; C80-C155 WeakPolarHBondContact CB-SG 3.42Å; C80-C155 WeakPolarHBondContact SG-CB 3.47Å; C80-C155 CovalentContact SG-SG 2.03Å; C80-C155 PolarHBondContact SG-SG 2.98Å; C80-L157 HydrophobicContact CB-CD1 4.09Å; C80-L157 HydrophobicContact CB-CD2 4.14Å; C80-L157 HydrophobicContact CB-CG 3.69Å | ||
| 81 | T | 89.7 | Confident | 93.4 | Very high | 95 Ų | 95 | 70.1 Ų | 70.1 | 58% | 0.583 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.3 | -0.1 | 178 | 55 | 0 | 0 | 0 | 0 | 112.9 | Q79 S83 | Q79-T81 VanDerWaalsContact C-N 3.25Å; Q79-T81 HydrophobicContact CB-CG2 3.96Å; Q79-T81 PolarHBondContact O-N 3.06Å; T81-S83 PolarHBondContact OG1-OG 3.28Å |
| 82 | G | 89.8 | Confident | 93.3 | Very high | 19 Ų | 19 | 63.5 Ų | 63.5 | 20% | 0.196 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 86.7 | 0.9 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115 | T154 C155 Y156 | G82-T154 WeakPolarHBondContact O-CG2 3.43Å; G82-C155 WeakPolarHBondContact CA-O 3.46Å; G82-C155 PolarHBondContact N-O 3.21Å; G82-Y156 VanDerWaalsContact CA-CZ 3.48Å |
| 83 | S | 92.5 | Very high | 93.2 | Very high | 49 Ų | 49 | 61.4 Ų | 61.4 | 34% | 0.343 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 156.6 | 170.1 | 60.6 | 0 | 0 | 0 | 0 | 111.6 | T81 E85 | T81-S83 PolarHBondContact OG1-OG 3.28Å; S83-E85 PolarHBondContact O-N 2.8Å |
| 84 | V | 92.1 | Very high | 93.2 | Very high | 106 Ų | 106 | 58.1 Ų | 58.1 | 64% | 0.642 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 112.7 | 174.3 | -178.8 | 0 | 0 | 0 | 0 | 108.8 | A152 | V84-A152 HydrophobicContact CG1-CB 3.53Å |
| 85 | E | 95.2 | Very high | 93.1 | Very high | 36 Ų | 36 | 54.9 Ų | 54.9 | 17% | 0.168 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | -155.7 | -179 | -58.7 | -178.2 | -92 | 0 | 0 | 109.8 | L78 Q79 C80 S83 A152 I153 | L78-E85 HydrophobicContact CD2-CB 3.64Å; Q79-E85 PolarHBondContact N-OE1 2.74Å; Q79-E85 PolarHBondContact N-OE2 2.98Å; Q79-E85 VanDerWaalsContact N-OE2 3.1Å; C80-E85 PolarHBondContact N-OE1 2.83Å; S83-E85 PolarHBondContact O-N 2.8Å; E85-A152 CarbonylContact O-C 3.1Å; E85-A152 VanDerWaalsContact O-CA 3.28Å; E85-A152 WeakPolarHBondContact O-CA 3.36Å; E85-I153 CarbonylContact C-O 3.54Å; E85-I153 WeakPolarHBondContact CA-O 2.98Å; E85-I153 PolarHBondContact N-O 3.42Å; E85-I153 PolarHBondContact O-N 3.49Å |
| 86 | G | 94 | Very high | 93.1 | Very high | 15 Ų | 15 | 54 Ų | 54 | 16% | 0.155 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 98.2 | -145.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 87 | C | 95.8 | Very high | 93.1 | Very high | 9 Ų | 9 | 48 Ų | 48 | 6% | 0.061 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -82.8 | 138.5 | -177.4 | -63.8 | 0 | 0 | 0 | 0 | 111.6 | A91 C112 Q151 | C87-A91 HydrophobicContact CB-CB 4.25Å; C87-C112 WeakPolarHBondContact CA-SG 3.26Å; C87-C112 HydrophobicContact CB-CB 3.78Å; C87-C112 WeakPolarHBondContact CB-SG 3.07Å; C87-C112 VanDerWaalsContact SG-CA 3.52Å; C87-C112 WeakPolarHBondContact SG-CB 3.03Å; C87-C112 CovalentContact SG-SG 2.04Å; C87-C112 PolarHBondContact SG-SG 3.3Å; C87-Q151 PolarHBondContact N-O 2.75Å |
| 88 | P | 92.7 | Very high | 92.9 | Very high | 67 Ų | 67 | 46.1 Ų | 46.1 | 44% | 0.435 | 25% | 0.247 | S | C | . | . | P | Polyproline II helix | trans | -66.1 | 165.5 | 178 | 29.7 | -36.1 | 0 | 0 | 0 | 111.4 | F73 K90 A91 | F73-P88 HydrophobicContact CE2-CG 4.06Å; F73-P88 HydrophobicContact CZ-CG 3.67Å; P88-K90 PolarHBondContact O-N 2.8Å; P88-A91 HydrophobicContact CG-CB 4.09Å; P88-A91 WeakPolarHBondContact O-CB 3.14Å; P88-A91 PolarHBondContact O-N 2.94Å |
| 89 | K | 87.5 | Confident | 92.6 | Very high | 189 Ų | 189 | 48 Ų | 48 | 82% | 0.822 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.9 | 141.3 | 174.9 | -67 | -175.3 | 179 | 179.5 | 0 | 110.6 | A91 | K89-A91 PolarHBondContact O-N 2.92Š|
| 90 | K | 90.9 | Very high | 92 | Very high | 171 Ų | 171 | 42.8 Ų | 42.8 | 74% | 0.743 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68 | -2.9 | -174 | -48.7 | 173.7 | -177.8 | 173.4 | 0 | 116.7 | P88 Q151 | P88-K90 PolarHBondContact O-N 2.8Å; K90-Q151 VanDerWaalsContact N-NE2 3.18Å |
| 91 | A | 95.8 | Very high | 91.3 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.008 | 25% | 0.25 | C | C | . | . | trans | -104.8 | 151.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | F73 C87 P88 K89 C112 C113 T114 Q151 | F73-A91 HydrophobicContact CE1-CB 4.19Å; F73-A91 HydrophobicContact CZ-CB 3.96Å; C87-A91 HydrophobicContact CB-CB 4.25Å; P88-A91 HydrophobicContact CG-CB 4.09Å; P88-A91 WeakPolarHBondContact O-CB 3.14Å; P88-A91 PolarHBondContact O-N 2.94Å; K89-A91 PolarHBondContact O-N 2.92Å; A91-C112 HydrophobicContact CB-CB 4.18Å; A91-C113 CarbonylContact C-O 3.59Å; A91-C113 WeakPolarHBondContact CA-O 3.4Å; A91-C113 WeakPolarHBondContact CB-O 3.12Å; A91-T114 HydrophobicContact CB-CG2 3.59Å; A91-Q151 VanDerWaalsContact O-CG 3.32Å; A91-Q151 WeakPolarHBondContact O-CG 3.28Å; A91-Q151 PolarHBondContact O-NE2 2.88Å | ||
| 92 | W | 95.4 | Very high | 90.3 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 0% | 0.004 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 155.1 | 174.6 | 68.8 | 97 | 0 | 0 | 0 | 112.2 | L63 A69 A94 C112 C113 V118 I120 L149 Y150 | L63-W92 HydrophobicContact CD1-CZ2 4.02Å; A69-W92 HydrophobicContact CB-CH2 4.16Å; A69-W92 HydrophobicContact CB-CZ2 3.8Å; W92-A94 PolarHBondContact O-N 3Å; W92-C112 CarbonylContact O-C 3.54Å; W92-C112 VanDerWaalsContact O-CA 3.28Å; W92-C112 WeakPolarHBondContact O-CA 3.46Å; W92-C113 HydrophobicContact CD2-CB 4.33Å; W92-C113 HydrophobicContact CH2-CB 4.23Å; W92-C113 HydrophobicContact CZ2-CB 3.78Å; W92-C113 WeakPolarHBondContact CZ3-O 3.48Å; W92-C113 PolarHBondContact N-O 2.94Å; W92-C113 PolarHBondContact O-N 3.22Å; W92-V118 HydrophobicContact CE3-CG1 4.31Å; W92-V118 HydrophobicContact CH2-CB 4.4Å; W92-V118 HydrophobicContact CH2-CG2 4.05Å; W92-V118 HydrophobicContact CZ3-CB 3.98Å; W92-V118 HydrophobicContact CZ3-CG1 4.04Å; W92-V118 HydrophobicContact CZ3-CG2 4.14Å; W92-I120 HydrophobicContact CB-CD1 4.14Å; W92-I120 HydrophobicContact CE3-CD1 4.43Å; W92-L149 HydrophobicContact CB-CB 3.68Å; W92-L149 HydrophobicContact CB-CD1 3.9Å; W92-L149 HydrophobicContact CB-CD2 4.24Å; W92-L149 HydrophobicContact CB-CG 4.11Å; W92-L149 HydrophobicContact CD2-CD1 3.93Å; W92-L149 HydrophobicContact CE3-CD1 4.1Å; W92-L149 HydrophobicContact CG-CB 4.34Å; W92-L149 HydrophobicContact CG-CD1 3.84Å; W92-L149 HydrophobicContact CG-CD2 4Å; W92-L149 HydrophobicContact CG-CG 4.25Å; W92-Y150 CarbonylContact C-O 3.44Å; W92-Y150 WeakPolarHBondContact CA-O 3.34Å |
| 93 | L | 95.7 | Very high | 89.1 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 122.5 | 173.4 | -173.1 | 75.4 | 0 | 0 | 0 | 110.5 | V45 I48 G95 F96 P110 Y150 I153 M172 | V45-L93 HydrophobicContact CB-CD2 4.17Å; V45-L93 HydrophobicContact CB-CG 4.47Å; V45-L93 HydrophobicContact CG1-CD2 4.11Å; V45-L93 HydrophobicContact CG2-CD2 4.05Å; V45-L93 HydrophobicContact CG2-CG 4.01Å; V45-L93 WeakPolarHBondContact CG2-O 3.32Å; I48-L93 HydrophobicContact CD1-CD2 4.23Å; L93-G95 WeakPolarHBondContact CD1-O 3.41Å; L93-F96 HydrophobicContact CD1-CE1 4Å; L93-F96 HydrophobicContact CD1-CE2 4.41Å; L93-F96 HydrophobicContact CD1-CZ 3.95Å; L93-F96 HydrophobicContact CD2-CE1 4.34Å; L93-F96 HydrophobicContact CD2-CE2 3.64Å; L93-F96 HydrophobicContact CD2-CZ 3.47Å; L93-F96 VanDerWaalsContact CD2-CZ 3.47Å; L93-F96 HydrophobicContact CG-CZ 4.33Å; L93-P110 HydrophobicContact CD1-CB 3.72Å; L93-Y150 PolarHBondContact N-O 3.08Å; L93-I153 HydrophobicContact CD1-CD1 4.1Å; L93-I153 HydrophobicContact CD2-CD1 4.32Å; L93-M172 HydrophobicContact CB-CE 4.44Å; L93-M172 HydrophobicContact CD2-CE 3.3Å; L93-M172 HydrophobicContact CG-CE 4.42Å |
| 94 | A | 96.6 | Very high | 87.8 | Confident | 3 Ų | 3 | 52.5 Ų | 52.5 | 3% | 0.025 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | -13.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q38 C39 W92 I111 C113 | Q38-A94 WeakPolarHBondContact CA-O 3.18Å; Q38-A94 HydrophobicContact CG-CB 4.17Å; Q38-A94 WeakPolarHBondContact CG-O 3.16Å; C39-A94 PolarHBondContact N-O 3.24Å; W92-A94 PolarHBondContact O-N 3Å; A94-I111 PolarHBondContact N-O 2.04Å; A94-C113 HydrophobicContact CB-CB 4.24Å; A94-C113 WeakPolarHBondContact CB-SG 3.32Å |
| 95 | G | 95.8 | Very high | 86.8 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 169.4 | -166.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | I37 L93 I111 | I37-G95 CarbonylContact O-C 3.59Å; I37-G95 WeakPolarHBondContact O-CA 3.44Å; L93-G95 WeakPolarHBondContact CD1-O 3.41Å; G95-I111 PolarHBondContact N-O 2.79Å; G95-I111 PolarHBondContact O-N 2.92Å |
| 96 | F | 94.8 | Very high | 85.9 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 0% | 0.004 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 143.8 | 174.6 | -62.7 | -83.2 | 0 | 0 | 0 | 110.8 | S36 I37 I48 I58 L78 L93 T98 L108 R109 P110 I153 | S36-F96 WeakPolarHBondContact CA-O 3.34Å; I37-F96 PolarHBondContact N-O 2.8Å; I37-F96 PolarHBondContact O-N 2.96Å; I48-F96 HydrophobicContact CD1-CE2 3.66Å; I48-F96 HydrophobicContact CD1-CZ 3.91Å; I48-F96 HydrophobicContact CG1-CE2 4.29Å; I58-F96 HydrophobicContact CG2-CD2 4.22Å; I58-F96 HydrophobicContact CG2-CE2 4.43Å; L78-F96 HydrophobicContact CD1-CE1 4.48Å; L93-F96 HydrophobicContact CD1-CE1 4Å; L93-F96 HydrophobicContact CD1-CE2 4.41Å; L93-F96 HydrophobicContact CD1-CZ 3.95Å; L93-F96 HydrophobicContact CD2-CE1 4.34Å; L93-F96 HydrophobicContact CD2-CE2 3.64Å; L93-F96 HydrophobicContact CD2-CZ 3.47Å; L93-F96 VanDerWaalsContact CD2-CZ 3.47Å; L93-F96 HydrophobicContact CG-CZ 4.33Å; F96-T98 HydrophobicContact CB-CG2 4.16Å; F96-L108 HydrophobicContact CD1-CB 3.86Å; F96-L108 HydrophobicContact CE1-CB 4.26Å; F96-L108 HydrophobicContact CE1-CD1 4.5Å; F96-R109 CarbonylContact C-O 3.57Å; F96-R109 VanDerWaalsContact CA-O 3.29Å; F96-R109 WeakPolarHBondContact CA-O 3.1Å; F96-P110 HydrophobicContact CD1-CB 4.45Å; F96-P110 HydrophobicContact CD1-CG 4.44Å; F96-P110 HydrophobicContact CE1-CB 4.33Å; F96-P110 HydrophobicContact CE1-CG 4.2Å; F96-I153 HydrophobicContact CE1-CD1 3.88Å; F96-I153 HydrophobicContact CZ-CD1 3.99Å |
| 97 | E | 95 | Very high | 85.5 | Confident | 53 Ų | 53 | 49 Ų | 49 | 25% | 0.248 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 135.3 | 146.7 | -53.6 | 179.5 | 150.2 | 0 | 0 | 107.3 | F35 T74 F99 R109 I111 | F35-E97 WeakPolarHBondContact O-CA 3.01Å; T74-E97 HydrophobicContact CG2-CG 4.27Å; E97-F99 HydrophobicContact CB-CE2 3.74Å; E97-F99 HydrophobicContact CB-CZ 3.79Å; E97-R109 HydrophobicContact CB-CB 4.19Å; E97-R109 PolarHBondContact N-O 3.31Å; E97-R109 PolarHBondContact O-N 2.87Å; E97-R109 WeakPolarHBondContact OE2-CD 3.17Å; E97-R109 IonicContact OE2-CZ 2.88Å; E97-R109 IonicContact OE2-NE 3.74Å; E97-R109 IonicContact OE2-NH1 3.88Å; E97-R109 PolarHBondContact OE2-NH1 3.36Å; E97-I111 HydrophobicContact CG-CD1 4.28Å; E97-I111 HydrophobicContact CG-CG1 4.39Å |
| 98 | T | 89.2 | Confident | 85.3 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.006 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 130.4 | 178.8 | 67.2 | 0 | 0 | 0 | 0 | 108.5 | D34 F35 I56 F96 L107 L108 | D34-T98 VanDerWaalsContact CA-O 3.24Å; D34-T98 WeakPolarHBondContact CA-O 3.49Å; F35-T98 WeakPolarHBondContact CD1-OG1 3.43Å; F35-T98 HydrophobicContact CE1-CG2 4.23Å; F35-T98 WeakPolarHBondContact CE1-OG1 3.39Å; F35-T98 HydrophobicContact CE2-CG2 3.91Å; F35-T98 WeakPolarHBondContact CE2-OG1 3.45Å; F35-T98 HydrophobicContact CZ-CG2 3.71Å; F35-T98 WeakPolarHBondContact CZ-OG1 3.27Å; F35-T98 PolarHBondContact N-O 3.38Å; F35-T98 VanDerWaalsContact N-O 3.08Å; F35-T98 PolarHBondContact O-N 2.87Å; F35-T98 PolarHBondContact O-OG1 2.83Å; I56-T98 HydrophobicContact CB-CG2 4.36Å; I56-T98 HydrophobicContact CG2-CG2 4.32Å; F96-T98 HydrophobicContact CB-CG2 4.16Å; T98-L107 CarbonylContact C-O 3.55Å; T98-L107 WeakPolarHBondContact CA-O 3.49Å; T98-L108 HydrophobicContact CG2-CD2 3.69Å |
| 99 | F | 86.4 | Confident | 85.4 | Confident | 40 Ų | 40 | 49 Ų | 49 | 18% | 0.175 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 124.7 | 177.3 | -52.3 | -93.1 | 0 | 0 | 0 | 108.6 | D34 E97 M101 E106 L107 R109 | D34-F99 HydrophobicContact CB-CD1 4.06Å; D34-F99 WeakPolarHBondContact OD1-CA 3.23Å; D34-F99 WeakPolarHBondContact OD2-CD1 3.28Å; E97-F99 HydrophobicContact CB-CE2 3.74Å; E97-F99 HydrophobicContact CB-CZ 3.79Å; F99-M101 PolarHBondContact O-N 2.84Å; F99-E106 CarbonylContact O-C 3.57Å; F99-E106 WeakPolarHBondContact O-CA 3.34Å; F99-L107 HydrophobicContact CB-CB 4.22Å; F99-L107 HydrophobicContact CD2-CD2 4.5Å; F99-L107 PolarHBondContact N-O 3.4Å; F99-L107 PolarHBondContact O-N 3.24Å; F99-R109 HydrophobicContact CE2-CB 3.79Å |
| 100 | S | 79.5 | Confident | 85.8 | Confident | 23 Ų | 23 | 40 Ų | 40 | 16% | 0.161 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 126.5 | 175.9 | -89.3 | 0 | 0 | 0 | 0 | 109 | D32 D34 R55 | D32-S100 WeakPolarHBondContact OD1-CB 3.27Å; D32-S100 PolarHBondContact OD1-OG 2.83Å; D34-S100 PolarHBondContact OD1-N 2.03Å; R55-S100 PolarHBondContact NH2-OG 2.05Å |
| 101 | M | 74 | Confident | 86.2 | Confident | 93 Ų | 93 | 32.2 Ų | 32.2 | 46% | 0.458 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 169.2 | 173.7 | -56.4 | -69.7 | -65.8 | 0 | 0 | 109.2 | F99 G104 V105 L107 | F99-M101 PolarHBondContact O-N 2.84Å; M101-G104 PolarHBondContact O-N 2.76Å; M101-V105 WeakPolarHBondContact CA-O 3.33Å; M101-V105 HydrophobicContact CB-CB 4.18Å; M101-V105 VanDerWaalsContact CB-O 3.28Å; M101-V105 WeakPolarHBondContact CB-O 3.01Å; M101-V105 PolarHBondContact N-O 2.86Å; M101-L107 HydrophobicContact CG-CB 3.91Å; M101-L107 HydrophobicContact SD-CB 4.14Å |
| 102 | D | 68.1 | Low | 86.3 | Confident | 142 Ų | 142 | 32.2 Ų | 32.2 | 76% | 0.759 | 17% | 0.166 | S | C | * | . | G | 310 helix | trans | -51.3 | 149.7 | 173.9 | -66.9 | -41.6 | 0 | 0 | 0 | 112.3 | G104 | D102-G104 PolarHBondContact O-N 2.89Š|
| 103 | E | 65.1 | Low | 86.4 | Confident | 120 Ų | 120 | 32.2 Ų | 32.2 | 56% | 0.561 | 17% | 0.167 | S | C | * | . | G | 310 helix | trans | 65.9 | 14.5 | 177.4 | -47.4 | -168.8 | 144.7 | 0 | 0 | 116.3 | K164 | E103-K164 WeakPolarHBondContact OE2-CA 3.5Å; E103-K164 WeakPolarHBondContact OE2-CG 3.43Å |
| 104 | G | 64.3 | Low | 86.5 | Confident | 30 Ų | 30 | 34.3 Ų | 34.3 | 31% | 0.309 | 18% | 0.179 | S | C | . | . | G | 310 helix | trans | 81.3 | 26.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | M101 D102 | M101-G104 PolarHBondContact O-N 2.76Å; D102-G104 PolarHBondContact O-N 2.89Å |
| 105 | V | 70.9 | Confident | 86.5 | Confident | 15 Ų | 15 | 34.7 Ų | 34.7 | 9% | 0.091 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 140 | 175.8 | 178.1 | 0 | 0 | 0 | 0 | 108.1 | M101 I165 | M101-V105 WeakPolarHBondContact CA-O 3.33Å; M101-V105 HydrophobicContact CB-CB 4.18Å; M101-V105 VanDerWaalsContact CB-O 3.28Å; M101-V105 WeakPolarHBondContact CB-O 3.01Å; M101-V105 PolarHBondContact N-O 2.86Å; V105-I165 HydrophobicContact CB-CD1 4.24Å; V105-I165 HydrophobicContact CG1-CD1 3.79Å; V105-I165 HydrophobicContact CG1-CG2 4.47Å; V105-I165 HydrophobicContact CG2-CB 3.5Å; V105-I165 HydrophobicContact CG2-CD1 3.57Å; V105-I165 HydrophobicContact CG2-CG1 4.07Å; V105-I165 HydrophobicContact CG2-CG2 3.75Å |
| 106 | E | 77.3 | Confident | 86.4 | Confident | 15 Ų | 15 | 43 Ų | 43 | 7% | 0.07 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 123.9 | 176.8 | -67.1 | 176 | 146 | 0 | 0 | 108.9 | R55 I56 F99 L108 | R55-E106 WeakPolarHBondContact CB-OE1 3.22Å; R55-E106 WeakPolarHBondContact CG-OE1 3.47Å; R55-E106 IonicContact CZ-OE1 3.71Å; R55-E106 IonicContact NE-OE1 2.92Å; R55-E106 PolarHBondContact NE-OE1 2.84Å; R55-E106 IonicContact NH2-OE1 3.59Å; I56-E106 WeakPolarHBondContact CB-OE2 3.03Å; I56-E106 WeakPolarHBondContact CG1-OE2 3Å; I56-E106 PolarHBondContact N-OE2 3.44Å; F99-E106 CarbonylContact O-C 3.57Å; F99-E106 WeakPolarHBondContact O-CA 3.34Å; E106-L108 HydrophobicContact CB-CD2 4.29Å |
| 107 | L | 85.2 | Confident | 86.4 | Confident | 55 Ų | 55 | 48.8 Ų | 48.8 | 29% | 0.288 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 128.9 | 166.5 | 179.7 | 69.7 | 0 | 0 | 0 | 108.1 | P77 L78 T98 F99 M101 | P77-L107 HydrophobicContact CB-CD1 3.99Å; P77-L107 HydrophobicContact CB-CD2 3.82Å; P77-L107 HydrophobicContact CB-CG 3.92Å; P77-L107 HydrophobicContact CG-CD2 4.35Å; L78-L107 WeakPolarHBondContact O-CD1 3.12Å; T98-L107 CarbonylContact C-O 3.55Å; T98-L107 WeakPolarHBondContact CA-O 3.49Å; F99-L107 HydrophobicContact CB-CB 4.22Å; F99-L107 HydrophobicContact CD2-CD2 4.5Å; F99-L107 PolarHBondContact N-O 3.4Å; F99-L107 PolarHBondContact O-N 3.24Å; M101-L107 HydrophobicContact CG-CB 3.91Å; M101-L107 HydrophobicContact SD-CB 4.14Å |
| 108 | L | 90.9 | Very high | 86.4 | Confident | 3 Ų | 3 | 46.9 Ų | 46.9 | 2% | 0.016 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 125.3 | -175.2 | -57 | 179.5 | 0 | 0 | 0 | 110.2 | I56 P77 L78 F96 T98 E106 L170 | I56-L108 HydrophobicContact CB-CD2 4.38Å; I56-L108 HydrophobicContact CD1-CD1 3.75Å; I56-L108 HydrophobicContact CD1-CD2 4.08Å; I56-L108 HydrophobicContact CG1-CD1 4.5Å; I56-L108 HydrophobicContact CG1-CD2 3.95Å; I56-L108 HydrophobicContact CG2-CD2 4.39Å; P77-L108 WeakPolarHBondContact CA-O 3.14Å; L78-L108 HydrophobicContact CD1-CB 4.06Å; L78-L108 HydrophobicContact CD1-CD1 4.5Å; L78-L108 HydrophobicContact CG-CB 4.45Å; L78-L108 WeakPolarHBondContact CG-O 3.27Å; L78-L108 PolarHBondContact N-O 2.87Å; F96-L108 HydrophobicContact CD1-CB 3.86Å; F96-L108 HydrophobicContact CE1-CB 4.26Å; F96-L108 HydrophobicContact CE1-CD1 4.5Å; T98-L108 HydrophobicContact CG2-CD2 3.69Å; E106-L108 HydrophobicContact CB-CD2 4.29Å; L108-L170 HydrophobicContact CD1-CD1 3.91Å; L108-L170 HydrophobicContact CD1-CD2 4.28Å |
| 109 | R | 95 | Very high | 86.5 | Confident | 73 Ų | 73 | 52.1 Ų | 52.1 | 28% | 0.275 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 110.7 | 170.2 | -171.5 | -176.2 | -65.5 | 157.5 | -7.5 | 109.7 | A75 P77 F96 E97 F99 I111 | A75-R109 VanDerWaalsContact O-CD 3.28Å; A75-R109 WeakPolarHBondContact O-CD 3.46Å; A75-R109 WeakPolarHBondContact O-CG 3.45Å; P77-R109 HydrophobicContact CG-CB 4.5Å; P77-R109 HydrophobicContact CG-CG 4.4Å; F96-R109 CarbonylContact C-O 3.57Å; F96-R109 VanDerWaalsContact CA-O 3.29Å; F96-R109 WeakPolarHBondContact CA-O 3.1Å; E97-R109 HydrophobicContact CB-CB 4.19Å; E97-R109 PolarHBondContact N-O 3.31Å; E97-R109 PolarHBondContact O-N 2.87Å; E97-R109 WeakPolarHBondContact OE2-CD 3.17Å; E97-R109 IonicContact OE2-CZ 2.88Å; E97-R109 IonicContact OE2-NE 3.74Å; E97-R109 IonicContact OE2-NH1 3.88Å; E97-R109 PolarHBondContact OE2-NH1 3.36Å; F99-R109 HydrophobicContact CE2-CB 3.79Å; R109-I111 PolarHBondContact O-N 2.82Å |
| 110 | P | 96.8 | Very high | 86.8 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 136.1 | -178 | -22.2 | 33.2 | 0 | 0 | 0 | 112.2 | T74 A75 K76 L78 L93 F96 I153 | T74-P110 WeakPolarHBondContact CA-O 3.22Å; A75-P110 HydrophobicContact CB-CB 4.13Å; A75-P110 HydrophobicContact CB-CG 4.38Å; A75-P110 PolarHBondContact N-O 2.87Å; K76-P110 WeakPolarHBondContact O-CD 3.36Å; L78-P110 HydrophobicContact CD2-CG 3.79Å; L78-P110 HydrophobicContact CG-CG 4.04Å; L93-P110 HydrophobicContact CD1-CB 3.72Å; F96-P110 HydrophobicContact CD1-CB 4.45Å; F96-P110 HydrophobicContact CD1-CG 4.44Å; F96-P110 HydrophobicContact CE1-CB 4.33Å; F96-P110 HydrophobicContact CE1-CG 4.2Å; P110-I153 HydrophobicContact CB-CD1 4.37Å; P110-I153 HydrophobicContact CG-CD1 4.06Å |
| 111 | I | 98.1 | Very high | 87.3 | Confident | 7 Ų | 7 | 52.5 Ų | 52.5 | 4% | 0.036 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 120 | 166.9 | -57.3 | 168.4 | 0 | 0 | 0 | 107.4 | S36 Q38 T74 A94 G95 E97 R109 | S36-I111 WeakPolarHBondContact OG-CD1 3.28Å; Q38-I111 HydrophobicContact CB-CD1 4.09Å; Q38-I111 HydrophobicContact CG-CD1 4.23Å; Q38-I111 HydrophobicContact CG-CG2 4.17Å; T74-I111 HydrophobicContact CG2-CG1 4.16Å; A94-I111 PolarHBondContact N-O 2.04Å; G95-I111 PolarHBondContact N-O 2.79Å; G95-I111 PolarHBondContact O-N 2.92Å; E97-I111 HydrophobicContact CG-CD1 4.28Å; E97-I111 HydrophobicContact CG-CG1 4.39Å; R109-I111 PolarHBondContact O-N 2.82Å |
| 112 | C | 98 | Very high | 87.8 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 135.7 | -173.9 | -58.1 | 0 | 0 | 0 | 0 | 110.4 | C72 F73 C87 A91 W92 | C72-C112 CarbonylContact C-O 3.48Å; C72-C112 WeakPolarHBondContact CA-O 3.19Å; F73-C112 HydrophobicContact CD1-CB 4.48Å; F73-C112 WeakPolarHBondContact CD1-O 3.25Å; F73-C112 HydrophobicContact CD2-CB 4.23Å; F73-C112 HydrophobicContact CE1-CB 4.01Å; F73-C112 HydrophobicContact CE2-CB 3.72Å; F73-C112 HydrophobicContact CZ-CB 3.6Å; F73-C112 PolarHBondContact N-O 2.84Å; F73-C112 PolarHBondContact O-N 3.49Å; C87-C112 WeakPolarHBondContact CA-SG 3.26Å; C87-C112 HydrophobicContact CB-CB 3.78Å; C87-C112 WeakPolarHBondContact CB-SG 3.07Å; C87-C112 VanDerWaalsContact SG-CA 3.52Å; C87-C112 WeakPolarHBondContact SG-CB 3.03Å; C87-C112 CovalentContact SG-SG 2.04Å; C87-C112 PolarHBondContact SG-SG 3.3Å; A91-C112 HydrophobicContact CB-CB 4.18Å; W92-C112 CarbonylContact O-C 3.54Å; W92-C112 VanDerWaalsContact O-CA 3.28Å; W92-C112 WeakPolarHBondContact O-CA 3.46Å |
| 113 | C | 98.2 | Very high | 88.7 | Confident | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.014 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 154.6 | 176.1 | -61.8 | 0 | 0 | 0 | 0 | 111.9 | A69 K71 C72 A91 W92 A94 | A69-C113 HydrophobicContact CB-CB 3.68Å; K71-C113 CarbonylContact O-C 3.53Å; K71-C113 VanDerWaalsContact O-CA 3.22Å; K71-C113 WeakPolarHBondContact O-CA 3.3Å; C72-C113 HydrophobicContact CB-CB 4.17Å; C72-C113 WeakPolarHBondContact CB-SG 3.02Å; C72-C113 WeakPolarHBondContact SG-CB 3.46Å; C72-C113 CovalentContact SG-SG 2.05Å; C72-C113 PolarHBondContact SG-SG 2.83Å; A91-C113 CarbonylContact C-O 3.59Å; A91-C113 WeakPolarHBondContact CA-O 3.4Å; A91-C113 WeakPolarHBondContact CB-O 3.12Å; W92-C113 HydrophobicContact CD2-CB 4.33Å; W92-C113 HydrophobicContact CH2-CB 4.23Å; W92-C113 HydrophobicContact CZ2-CB 3.78Å; W92-C113 WeakPolarHBondContact CZ3-O 3.48Å; W92-C113 PolarHBondContact N-O 2.94Å; W92-C113 PolarHBondContact O-N 3.22Å; A94-C113 HydrophobicContact CB-CB 4.24Å; A94-C113 WeakPolarHBondContact CB-SG 3.32Å |
| 114 | T | 96.9 | Very high | 89.9 | Confident | 44 Ų | 44 | 52.2 Ų | 52.2 | 27% | 0.27 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 158.6 | 175.6 | 59.6 | 0 | 0 | 0 | 0 | 110.4 | E70 K71 F73 A91 | E70-T114 PolarHBondContact N-O 3.41Å; K71-T114 PolarHBondContact N-O 2.91Å; K71-T114 PolarHBondContact O-N 2.9Å; F73-T114 HydrophobicContact CE1-CG2 4.08Å; A91-T114 HydrophobicContact CB-CG2 3.59Å |
| 115 | S | 96.4 | Very high | 91.1 | Very high | 11 Ų | 11 | 51.9 Ų | 51.9 | 8% | 0.077 | 26% | 0.258 | C | S | . | . | trans | -155.4 | 134.7 | 174 | 177.3 | 0 | 0 | 0 | 0 | 108.7 | K68 K117 V118 | K68-S115 WeakPolarHBondContact O-CB 3.1Å; K68-S115 PolarHBondContact O-OG 2.87Å; S115-K117 PolarHBondContact O-N 2.97Å; S115-K117 VanDerWaalsContact O-N 3.17Å; S115-K117 PolarHBondContact OG-N 3.1Å; S115-V118 PolarHBondContact O-N 2.84Å | ||
| 116 | K | 94.6 | Very high | 91.8 | Very high | 174 Ų | 174 | 55.5 Ų | 55.5 | 76% | 0.757 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -19.5 | 173.5 | -67.5 | 175 | -177.8 | -179.8 | 0 | 112.2 | E70 K180 | E70-K116 WeakPolarHBondContact OE2-CB 3.48Å; E70-K116 WeakPolarHBondContact OE2-CG 3.46Å; E70-K116 PolarHBondContact OE2-N 2.98Å; K116-K180 WeakPolarHBondContact O-CD 3.44Å |
| 117 | K | 94.7 | Very high | 92.2 | Very high | 124 Ų | 124 | 58.7 Ų | 58.7 | 54% | 0.539 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -11.7 | -179.2 | -56.8 | 179.8 | -176.4 | 178.5 | 0 | 113.7 | L67 S115 K179 K180 | L67-K117 HydrophobicContact CD2-CB 3.7Å; L67-K117 WeakPolarHBondContact CD2-O 3.29Å; S115-K117 PolarHBondContact O-N 2.97Å; S115-K117 VanDerWaalsContact O-N 3.17Å; S115-K117 PolarHBondContact OG-N 3.1Å; K117-K179 WeakPolarHBondContact O-CA 3.17Å; K117-K180 PolarHBondContact O-N 3.4Å |
| 118 | V | 93.9 | Very high | 91.9 | Very high | 12 Ų | 12 | 59.7 Ų | 59.7 | 7% | 0.073 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 118.9 | 179.8 | 177.1 | 0 | 0 | 0 | 0 | 108.9 | L67 W92 S115 I120 L149 Y177 | L67-V118 HydrophobicContact CB-CG2 4.04Å; L67-V118 HydrophobicContact CD1-CG2 4.12Å; L67-V118 HydrophobicContact CD2-CG2 4.39Å; L67-V118 HydrophobicContact CG-CG2 4.41Å; W92-V118 HydrophobicContact CE3-CG1 4.31Å; W92-V118 HydrophobicContact CH2-CB 4.4Å; W92-V118 HydrophobicContact CH2-CG2 4.05Å; W92-V118 HydrophobicContact CZ3-CB 3.98Å; W92-V118 HydrophobicContact CZ3-CG1 4.04Å; W92-V118 HydrophobicContact CZ3-CG2 4.14Å; S115-V118 PolarHBondContact O-N 2.84Å; V118-I120 HydrophobicContact CG1-CG1 4.36Å; V118-L149 HydrophobicContact CG1-CD1 3.74Å; V118-Y177 HydrophobicContact CG1-CD2 4.14Å |
| 119 | Q | 92.5 | Very high | 91 | Very high | 111 Ų | 111 | 63.8 Ų | 63.8 | 52% | 0.519 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 117.8 | 172.2 | -171.3 | 178 | 21.6 | 0 | 0 | 109.7 | Y177 G178 K180 | Q119-Y177 CarbonylContact O-C 3.54Å; Q119-Y177 WeakPolarHBondContact O-CA 3.45Å; Q119-Y177 WeakPolarHBondContact O-CB 3.28Å; Q119-G178 PolarHBondContact N-O 3.02Å; Q119-G178 PolarHBondContact O-N 3.19Å; Q119-K180 HydrophobicContact CB-CB 4.15Å; Q119-K180 HydrophobicContact CB-CG 4.48Å |
| 120 | I | 92.5 | Very high | 89.7 | Confident | 16 Ų | 16 | 60.5 Ų | 60.5 | 8% | 0.082 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 127.3 | 170.9 | -56.9 | 174.3 | 0 | 0 | 0 | 108 | W92 V118 P122 L149 Q151 C175 | W92-I120 HydrophobicContact CB-CD1 4.14Å; W92-I120 HydrophobicContact CE3-CD1 4.43Å; V118-I120 HydrophobicContact CG1-CG1 4.36Å; I120-P122 VanDerWaalsContact O-CD 3.3Å; I120-P122 WeakPolarHBondContact O-CD 3.18Å; I120-L149 HydrophobicContact CD1-CB 4.41Å; I120-L149 HydrophobicContact CD1-CD1 4.07Å; I120-L149 HydrophobicContact CG1-CD1 4Å; I120-Q151 HydrophobicContact CD1-CG 4.19Å; I120-Q151 VanDerWaalsContact CD1-NE2 3.33Å; I120-Q151 HydrophobicContact CG2-CG 4.49Å; I120-C175 HydrophobicContact CG2-CB 3.34Å |
| 121 | N | 90.5 | Very high | 88.1 | Confident | 55 Ų | 55 | 60.7 Ų | 60.7 | 29% | 0.294 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 108.1 | -179.5 | -173.3 | -31 | 0 | 0 | 0 | 110 | N123 K124 C125 K176 | N121-N123 PolarHBondContact O-N 2.86Å; N121-N123 PolarHBondContact OD1-N 2.03Å; N121-K124 HydrophobicContact CB-CB 4.19Å; N121-K124 PolarHBondContact O-N 2.82Å; N121-K124 VanDerWaalsContact O-N 3.12Å; N121-K124 PolarHBondContact OD1-N 2.87Å; N121-C125 PolarHBondContact O-SG 3.44Å; N121-C125 VanDerWaalsContact O-SG 3.37Å; N121-K176 PolarHBondContact N-O 3.29Å |
| 122 | P | 84 | Confident | 86 | Confident | 88 Ų | 88 | 63 Ų | 63 | 57% | 0.571 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.9 | -23.4 | -175.8 | 29.1 | -35.9 | 0 | 0 | 0 | 113 | I120 K124 C125 | I120-P122 VanDerWaalsContact O-CD 3.3Å; I120-P122 WeakPolarHBondContact O-CD 3.18Å; P122-K124 VanDerWaalsContact C-N 3.29Å; P122-C125 PolarHBondContact O-SG 3.15Å |
| 123 | N | 87.7 | Confident | 83.6 | Confident | 150 Ų | 150 | 64.3 Ų | 64.3 | 80% | 0.802 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.6 | -3.9 | -179.7 | -59.4 | -14.5 | 0 | 0 | 0 | 112.2 | N121 | N121-N123 PolarHBondContact O-N 2.86Å; N121-N123 PolarHBondContact OD1-N 2.03Å |
| 124 | K | 88.5 | Confident | 81.2 | Confident | 111 Ų | 111 | 70.6 Ų | 70.6 | 48% | 0.483 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 55.3 | 178.2 | -61.8 | -173.6 | -176 | 178.4 | 0 | 108.9 | N121 P122 W148 C175 K176 | N121-K124 HydrophobicContact CB-CB 4.19Å; N121-K124 PolarHBondContact O-N 2.82Å; N121-K124 VanDerWaalsContact O-N 3.12Å; N121-K124 PolarHBondContact OD1-N 2.87Å; P122-K124 VanDerWaalsContact C-N 3.29Å; K124-W148 WeakPolarHBondContact O-CZ3 3.48Å; K124-C175 CarbonylContact O-C 3.59Å; K124-C175 WeakPolarHBondContact O-CA 3.49Å; K124-K176 HydrophobicContact CB-CB 4.03Å; K124-K176 HydrophobicContact CB-CD 4.3Å; K124-K176 HydrophobicContact CB-CG 4.13Å; K124-K176 HydrophobicContact CD-CD 4.12Å; K124-K176 PolarHBondContact O-N 2.74Å |
| 125 | C | 89.6 | Confident | 79 | Confident | 23 Ų | 23 | 69.5 Ų | 69.5 | 16% | 0.155 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 143.2 | 177 | -64.1 | 0 | 0 | 0 | 0 | 110.2 | N121 P122 E173 A174 C175 | N121-C125 PolarHBondContact O-SG 3.44Å; N121-C125 VanDerWaalsContact O-SG 3.37Å; P122-C125 PolarHBondContact O-SG 3.15Å; C125-E173 HydrophobicContact CB-CG 3.68Å; C125-E173 WeakPolarHBondContact CB-OE1 3.24Å; C125-A174 CarbonylContact C-O 3.48Å; C125-A174 VanDerWaalsContact CA-O 3.26Å; C125-A174 WeakPolarHBondContact CA-O 3.41Å; C125-C175 HydrophobicContact CB-CB 4.14Å; C125-C175 WeakPolarHBondContact CB-SG 3.36Å; C125-C175 WeakPolarHBondContact SG-CB 3.33Å; C125-C175 CovalentContact SG-SG 2.04Å; C125-C175 PolarHBondContact SG-SG 2.92Å |
| 126 | N | 87.4 | Confident | 77 | Confident | 92 Ų | 92 | 72.8 Ų | 72.8 | 49% | 0.492 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 139.5 | 174.6 | -65.1 | -75 | 0 | 0 | 0 | 110 | A174 | N126-A174 PolarHBondContact N-O 2.7Å; N126-A174 PolarHBondContact O-N 2.7Å |
| 127 | M | 84.3 | Confident | 75 | Confident | 82 Ų | 82 | 65.7 Ų | 65.7 | 40% | 0.404 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 132.8 | 172.7 | -63.1 | -56 | -75.5 | 0 | 0 | 110.5 | L171 M172 E173 | M127-L171 HydrophobicContact CB-CD1 4.27Å; M127-L171 HydrophobicContact CB-CD2 4.05Å; M127-L171 HydrophobicContact CB-CG 4.06Å; M127-L171 HydrophobicContact CE-CB 4.23Å; M127-L171 HydrophobicContact CE-CD2 3.63Å; M127-L171 HydrophobicContact CE-CG 3.61Å; M127-L171 HydrophobicContact CG-CD2 4.35Å; M127-M172 CarbonylContact C-O 3.47Å; M127-M172 WeakPolarHBondContact CA-O 3.34Å; M127-E173 HydrophobicContact SD-CB 3.62Å; M127-E173 HydrophobicContact SD-CG 4.17Å |
| 128 | R | 79.9 | Confident | 73 | Confident | 76 Ų | 76 | 61.6 Ų | 61.6 | 29% | 0.287 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 133.1 | 178.5 | -67.6 | -167.6 | 175.6 | -177.6 | -2.5 | 110.1 | M130 M172 A174 | R128-M130 HydrophobicContact CB-SD 4.4Å; R128-M130 PolarHBondContact O-N 2.7Å; R128-M172 PolarHBondContact N-O 2.79Å; R128-M172 PolarHBondContact O-N 2.84Å; R128-A174 HydrophobicContact CG-CB 4.01Å |
| 129 | L | 70.8 | Confident | 71.1 | Confident | 88 Ų | 88 | 71.2 Ų | 71.2 | 46% | 0.461 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 117.5 | 170.6 | 179.5 | 63.9 | 0 | 0 | 0 | 108.3 | A138 V169 L171 | L129-A138 WeakPolarHBondContact O-CB 3.49Å; L129-V169 HydrophobicContact CD1-CG1 3.73Å; L129-L171 HydrophobicContact CB-CD1 4.3Å |
| 130 | M | 68.1 | Low | 69.3 | Low | 5 Ų | 5 | 67.4 Ų | 67.4 | 3% | 0.025 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | -35.9 | -175.8 | -75.2 | -51.1 | -44.8 | 0 | 0 | 113.8 | R128 A138 Y150 L170 M172 | R128-M130 HydrophobicContact CB-SD 4.4Å; R128-M130 PolarHBondContact O-N 2.7Å; M130-A138 HydrophobicContact CE-CB 4.47Å; M130-A138 WeakPolarHBondContact CE-O 3.41Å; M130-A138 VanDerWaalsContact O-CB 3.27Å; M130-A138 WeakPolarHBondContact O-CB 3.1Å; M130-A138 PolarHBondContact O-N 2.96Å; M130-Y150 HydrophobicContact CG-CD1 4.32Å; M130-Y150 HydrophobicContact CG-CE1 3.78Å; M130-Y150 HydrophobicContact SD-CE1 3.62Å; M130-Y150 HydrophobicContact SD-CE2 4.42Å; M130-Y150 PolarHBondContact SD-OH 2.74Å; M130-L170 PolarHBondContact N-O 3.35Å; M130-M172 HydrophobicContact CB-CG 3.99Å; M130-M172 HydrophobicContact CB-SD 3.62Å; M130-M172 HydrophobicContact CG-CB 3.87Å; M130-M172 HydrophobicContact CG-CG 3.86Å; M130-M172 HydrophobicContact CG-SD 3.54Å; M130-M172 VanDerWaalsContact CG-SD 3.54Å |
| 131 | L | 63.8 | Low | 67.3 | Low | 3 Ų | 3 | 77.4 Ų | 77.4 | 2% | 0.016 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 123.1 | 174.9 | -173.4 | 68.5 | 0 | 0 | 0 | 109.6 | I48 I56 L170 | I48-L131 HydrophobicContact CG2-CB 4.44Å; I48-L131 HydrophobicContact CG2-CD2 4.35Å; I56-L131 HydrophobicContact CD1-CD2 3.68Å; L131-L170 HydrophobicContact CB-CB 4.05Å; L131-L170 HydrophobicContact CB-CD1 4.14Å; L131-L170 HydrophobicContact CB-CG 4.19Å; L131-L170 HydrophobicContact CD2-CD1 4.05Å; L131-L170 HydrophobicContact CD2-CG 4.38Å; L131-L170 PolarHBondContact N-O 2.72Å; L131-L170 PolarHBondContact O-N 2.92Å |
| 132 | S | 54.1 | Low | 65.4 | Low | 55 Ų | 55 | 80 Ų | 80 | 39% | 0.385 | 42% | 0.422 | S | S | . | . | trans | -115.6 | 160.9 | 170.2 | -176.2 | 0 | 0 | 0 | 0 | 110.4 | N134 G135 | S132-N134 PolarHBondContact O-N 2.94Å; S132-G135 PolarHBondContact O-N 3.26Å | ||
| 133 | A | 47.1 | Very low | 63.6 | Low | 29 Ų | 29 | 82.5 Ų | 82.5 | 24% | 0.24 | 43% | 0.431 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -35.2 | -33.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | K167 | A133-K167 HydrophobicContact CB-CB 4.21Å; A133-K167 HydrophobicContact CB-CD 3.35Å; A133-K167 VanDerWaalsContact CB-CE 3.44Å; A133-K167 HydrophobicContact CB-CG 3.7Å |
| 134 | N | 47.4 | Very low | 62 | Low | 134 Ų | 134 | 77.4 Ų | 77.4 | 72% | 0.717 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | 16.4 | -166.4 | -65.5 | -7.4 | 0 | 0 | 0 | 112.9 | S132 S136 | S132-N134 PolarHBondContact O-N 2.94Å; N134-S136 PolarHBondContact O-N 2.88Å |
| 135 | G | 51.1 | Low | 60.6 | Low | 20 Ų | 20 | 81.3 Ų | 81.3 | 21% | 0.206 | 43% | 0.426 | C | S | . | . | S | Bend | trans | 68.8 | -8.7 | -180 | 0 | 0 | 0 | 0 | 0 | 114.2 | R50 S132 A137 | R50-G135 PolarHBondContact N-O 2.82Å; S132-G135 PolarHBondContact O-N 3.26Å; G135-A137 PolarHBondContact O-N 3.13Å |
| 136 | S | 53.7 | Low | 59.3 | Low | 81 Ų | 81 | 81.8 Ų | 81.8 | 57% | 0.566 | 43% | 0.43 | S | S | * | . | trans | -61.9 | 105.6 | 167.2 | -36 | 0 | 0 | 0 | 0 | 106.7 | N134 A138 | N134-S136 PolarHBondContact O-N 2.88Å; S136-A138 PolarHBondContact O-N 2.85Å | ||
| 137 | A | 53.4 | Low | 58.8 | Low | 25 Ų | 25 | 78 Ų | 78 | 21% | 0.207 | 41% | 0.41 | C | S | . | . | B | Isolated β-bridge | trans | -48.7 | 133.5 | 165.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | I48 G135 R139 | I48-A137 WeakPolarHBondContact O-CA 3.2Å; I48-A137 WeakPolarHBondContact O-CB 3.46Å; G135-A137 PolarHBondContact O-N 3.13Å; A137-R139 HydrophobicContact CB-CG 4.21Å; A137-R139 PolarHBondContact O-N 3.38Å |
| 138 | A | 53.4 | Low | 59 | Low | 37 Ų | 37 | 75 Ų | 75 | 31% | 0.306 | 40% | 0.395 | S | S | . | . | trans | -65.8 | 86.3 | 161.5 | 0 | 0 | 0 | 0 | 0 | 105 | L129 M130 S136 R140 | L129-A138 WeakPolarHBondContact O-CB 3.49Å; M130-A138 HydrophobicContact CE-CB 4.47Å; M130-A138 WeakPolarHBondContact CE-O 3.41Å; M130-A138 VanDerWaalsContact O-CB 3.27Å; M130-A138 WeakPolarHBondContact O-CB 3.1Å; M130-A138 PolarHBondContact O-N 2.96Å; S136-A138 PolarHBondContact O-N 2.85Å; A138-R140 PolarHBondContact O-N 3.08Å | ||
| 139 | R | 52.7 | Low | 59.6 | Low | 214 Ų | 214 | 71.4 Ų | 71.4 | 81% | 0.808 | 38% | 0.381 | S | S | * | . | trans | -65.9 | 123 | 176.7 | -83.8 | -173 | 178.1 | 171.9 | 0.3 | 105.1 | A137 R141 | A137-R139 HydrophobicContact CB-CG 4.21Å; A137-R139 PolarHBondContact O-N 3.38Å; R139-R141 PolarHBondContact O-N 3.23Å | ||
| 140 | R | 55.3 | Low | 60.6 | Low | 32 Ų | 32 | 67.4 Ų | 67.4 | 12% | 0.121 | 36% | 0.36 | C | S | . | . | trans | -52 | 132.6 | 161.1 | -172.6 | -170.5 | 178.7 | 105.9 | 7.2 | 107.9 | D46 A138 S142 A144 S146 | D46-R140 WeakPolarHBondContact OD1-CD 3.38Å; D46-R140 IonicContact OD1-NE 3.93Å; A138-R140 PolarHBondContact O-N 3.08Å; R140-S142 PolarHBondContact O-N 2.83Å; R140-A144 HydrophobicContact CG-CB 4.46Å; R140-A144 PolarHBondContact NH2-O 3.19Å; R140-S146 PolarHBondContact NH2-O 2.92Å | ||
| 141 | R | 50 | Low | 61.7 | Low | 225 Ų | 225 | 67.6 Ų | 67.6 | 85% | 0.849 | 36% | 0.361 | S | S | * | . | trans | -58.5 | 114.1 | 163.5 | -68.5 | -176.7 | -176.8 | 167.1 | 0.6 | 106.4 | R139 N143 A144 | R139-R141 PolarHBondContact O-N 3.23Å; R141-N143 PolarHBondContact O-N 3.3Å; R141-A144 PolarHBondContact O-N 3.08Å; R141-A144 VanDerWaalsContact O-N 3.11Å | ||
| 142 | S | 50.4 | Low | 63 | Low | 109 Ų | 109 | 68 Ų | 68 | 76% | 0.762 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -43.5 | -30.4 | -176.9 | 49.2 | 0 | 0 | 0 | 0 | 113.7 | R140 A144 | R140-S142 PolarHBondContact O-N 2.83Å; S142-A144 VanDerWaalsContact C-N 3.31Å; S142-A144 PolarHBondContact O-N 2.76Å |
| 143 | N | 47.9 | Very low | 64.8 | Low | 142 Ų | 142 | 65.3 Ų | 65.3 | 76% | 0.759 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | 4.5 | -175.1 | -67.2 | -9.1 | 0 | 0 | 0 | 116.1 | R141 K145 | R141-N143 PolarHBondContact O-N 3.3Å; N143-K145 PolarHBondContact O-N 2.86Å |
| 144 | A | 53.6 | Low | 66.9 | Low | 43 Ų | 43 | 64.2 Ų | 64.2 | 36% | 0.355 | 34% | 0.336 | S | S | . | . | trans | -70.7 | 98 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | R140 R141 S142 S146 | R140-A144 HydrophobicContact CG-CB 4.46Å; R140-A144 PolarHBondContact NH2-O 3.19Å; R141-A144 PolarHBondContact O-N 3.08Å; R141-A144 VanDerWaalsContact O-N 3.11Å; S142-A144 VanDerWaalsContact C-N 3.31Å; S142-A144 PolarHBondContact O-N 2.76Å; A144-S146 PolarHBondContact O-N 3.44Å | ||
| 145 | K | 58.1 | Low | 68.9 | Low | 192 Ų | 192 | 57.9 Ų | 57.9 | 84% | 0.835 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -46.3 | -11.9 | -176.2 | -74.4 | -173.5 | 178.4 | -179 | 0 | 117.7 | R64 N143 | R64-K145 PolarHBondContact NH2-O 2.86Å; N143-K145 PolarHBondContact O-N 2.86Å |
| 146 | S | 62.8 | Low | 70.7 | Confident | 33 Ų | 33 | 62 Ų | 62 | 23% | 0.231 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -128.2 | 114.9 | 178.6 | 62.6 | 0 | 0 | 0 | 0 | 109.5 | R140 A144 W148 | R140-S146 PolarHBondContact NH2-O 2.92Å; A144-S146 PolarHBondContact O-N 3.44Å; S146-W148 PolarHBondContact O-NE1 3.01Å; S146-W148 PolarHBondContact OG-NE1 3.38Å |
| 147 | P | 77 | Confident | 72.1 | Confident | 12 Ų | 12 | 61 Ų | 61 | 8% | 0.078 | 30% | 0.3 | C | S | . | . | trans | -66.6 | 147.2 | 178.4 | 34.9 | -39.9 | 0 | 0 | 0 | 109.1 | Y44 R64 Y177 | Y44-P147 HydrophobicContact CE1-CB 4.23Å; Y44-P147 WeakPolarHBondContact OH-CB 3.17Å; R64-P147 HydrophobicContact CG-CG 3.89Å; P147-Y177 HydrophobicContact CB-CD1 4.49Å; P147-Y177 HydrophobicContact CB-CE1 3.49Å; P147-Y177 VanDerWaalsContact CB-CE1 3.49Å; P147-Y177 HydrophobicContact CG-CD1 4.25Å; P147-Y177 HydrophobicContact CG-CE1 3.41Å; P147-Y177 VanDerWaalsContact CG-CE1 3.41Å; P147-Y177 WeakPolarHBondContact CG-OH 3.18Å; P147-Y177 WeakPolarHBondContact O-CD1 3.48Å | ||
| 148 | W | 87.8 | Confident | 73.2 | Confident | 21 Ų | 21 | 63.5 Ų | 63.5 | 8% | 0.08 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 144 | -179.4 | -57.5 | 66.7 | 0 | 0 | 0 | 107.3 | Y44 K124 S146 A174 C175 K176 | Y44-W148 WeakPolarHBondContact CD2-O 3.01Å; Y44-W148 WeakPolarHBondContact CE2-O 3.07Å; K124-W148 WeakPolarHBondContact O-CZ3 3.48Å; S146-W148 PolarHBondContact O-NE1 3.01Å; S146-W148 PolarHBondContact OG-NE1 3.38Å; W148-A174 HydrophobicContact CB-CB 3.97Å; W148-A174 HydrophobicContact CD2-CB 4.47Å; W148-A174 HydrophobicContact CE3-CB 4.27Å; W148-A174 HydrophobicContact CG-CB 4.35Å; W148-C175 CarbonylContact C-O 3.57Å; W148-C175 WeakPolarHBondContact CA-O 3.33Å; W148-C175 WeakPolarHBondContact CB-O 3.47Å; W148-K176 HydrophobicContact CD2-CG 3.94Å; W148-K176 HydrophobicContact CE3-CB 4.4Å; W148-K176 HydrophobicContact CE3-CG 3.67Å; W148-K176 HydrophobicContact CH2-CD 4.02Å; W148-K176 VanDerWaalsContact CH2-CE 3.41Å; W148-K176 HydrophobicContact CH2-CG 3.48Å; W148-K176 VanDerWaalsContact CH2-CG 3.48Å; W148-K176 HydrophobicContact CZ2-CD 4.14Å; W148-K176 HydrophobicContact CZ2-CG 3.71Å; W148-K176 HydrophobicContact CZ3-CB 4.42Å; W148-K176 HydrophobicContact CZ3-CD 4.46Å; W148-K176 HydrophobicContact CZ3-CG 3.47Å; W148-K176 VanDerWaalsContact CZ3-CG 3.47Å |
| 149 | L | 92.6 | Very high | 74.4 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 138.9 | 171.1 | -67.1 | 179.5 | 0 | 0 | 0 | 108.7 | Y44 L63 W92 V118 I120 C175 Y177 | Y44-L149 HydrophobicContact CD1-CD2 4.22Å; Y44-L149 HydrophobicContact CD2-CD2 3.78Å; Y44-L149 HydrophobicContact CG-CD2 3.52Å; L63-L149 HydrophobicContact CD2-CD2 3.81Å; W92-L149 HydrophobicContact CB-CB 3.68Å; W92-L149 HydrophobicContact CB-CD1 3.9Å; W92-L149 HydrophobicContact CB-CD2 4.24Å; W92-L149 HydrophobicContact CB-CG 4.11Å; W92-L149 HydrophobicContact CD2-CD1 3.93Å; W92-L149 HydrophobicContact CE3-CD1 4.1Å; W92-L149 HydrophobicContact CG-CB 4.34Å; W92-L149 HydrophobicContact CG-CD1 3.84Å; W92-L149 HydrophobicContact CG-CD2 4Å; W92-L149 HydrophobicContact CG-CG 4.25Å; V118-L149 HydrophobicContact CG1-CD1 3.74Å; I120-L149 HydrophobicContact CD1-CB 4.41Å; I120-L149 HydrophobicContact CD1-CD1 4.07Å; I120-L149 HydrophobicContact CG1-CD1 4Å; L149-C175 PolarHBondContact N-O 2.98Å; L149-C175 PolarHBondContact O-N 2.8Å; L149-Y177 HydrophobicContact CB-CD1 4.4Å; L149-Y177 HydrophobicContact CD1-CD1 3.87Å; L149-Y177 HydrophobicContact CD1-CD2 4.11Å; L149-Y177 HydrophobicContact CD1-CE1 4.37Å; L149-Y177 HydrophobicContact CD1-CG 3.65Å; L149-Y177 HydrophobicContact CD2-CD1 4.12Å; L149-Y177 HydrophobicContact CD2-CE1 3.93Å; L149-Y177 HydrophobicContact CG-CD1 3.43Å; L149-Y177 VanDerWaalsContact CG-CD1 3.43Å; L149-Y177 HydrophobicContact CG-CE1 3.79Å; L149-Y177 HydrophobicContact CG-CG 3.79Å |
| 150 | Y | 92.4 | Very high | 75.6 | Confident | 3 Ų | 3 | 60.6 Ų | 60.6 | 1% | 0.012 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 137.7 | 175.5 | -58.1 | -77.3 | 0 | 0 | 0 | 110.7 | V45 D46 W92 L93 M130 M172 E173 A174 | V45-Y150 WeakPolarHBondContact O-CD2 3.29Å; V45-Y150 WeakPolarHBondContact O-CE2 3.46Å; D46-Y150 PolarHBondContact O-OH 3.26Å; W92-Y150 CarbonylContact C-O 3.44Å; W92-Y150 WeakPolarHBondContact CA-O 3.34Å; L93-Y150 PolarHBondContact N-O 3.08Å; M130-Y150 HydrophobicContact CG-CD1 4.32Å; M130-Y150 HydrophobicContact CG-CE1 3.78Å; M130-Y150 HydrophobicContact SD-CE1 3.62Å; M130-Y150 HydrophobicContact SD-CE2 4.42Å; M130-Y150 PolarHBondContact SD-OH 2.74Å; Y150-M172 VanDerWaalsContact CB-CE 3.44Å; Y150-M172 HydrophobicContact CD1-CB 3.7Å; Y150-M172 HydrophobicContact CD1-CE 4.39Å; Y150-M172 HydrophobicContact CD1-SD 4.33Å; Y150-M172 HydrophobicContact CE1-CB 4.38Å; Y150-M172 HydrophobicContact CG-CB 4.33Å; Y150-M172 HydrophobicContact CG-CE 3.89Å; Y150-M172 HydrophobicContact CG-SD 4.26Å; Y150-E173 CarbonylContact C-O 3.49Å; Y150-E173 VanDerWaalsContact CA-O 3.23Å; Y150-E173 WeakPolarHBondContact CA-O 3.16Å; Y150-A174 HydrophobicContact CD1-CB 3.78Å; Y150-A174 HydrophobicContact CE1-CB 3.58Å |
| 151 | Q | 91.2 | Very high | 76.7 | Confident | 9 Ų | 9 | 71.9 Ų | 71.9 | 4% | 0.042 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | -78.6 | 178.7 | -53.8 | -164.3 | -86 | 0 | 0 | 111.6 | C87 K90 A91 I120 E173 C175 | C87-Q151 PolarHBondContact N-O 2.75Å; K90-Q151 VanDerWaalsContact N-NE2 3.18Å; A91-Q151 VanDerWaalsContact O-CG 3.32Å; A91-Q151 WeakPolarHBondContact O-CG 3.28Å; A91-Q151 PolarHBondContact O-NE2 2.88Å; I120-Q151 HydrophobicContact CD1-CG 4.19Å; I120-Q151 VanDerWaalsContact CD1-NE2 3.33Å; I120-Q151 HydrophobicContact CG2-CG 4.49Å; Q151-E173 PolarHBondContact N-O 2.7Å; Q151-C175 PolarHBondContact OE1-SG 2.91Å; Q151-C175 VanDerWaalsContact OE1-SG 3.37Å |
| 152 | A | 90.1 | Very high | 78.3 | Confident | 11 Ų | 11 | 65.7 Ų | 65.7 | 9% | 0.091 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 143.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | V84 E85 M172 E173 | V84-A152 HydrophobicContact CG1-CB 3.53Å; E85-A152 CarbonylContact O-C 3.1Å; E85-A152 VanDerWaalsContact O-CA 3.28Å; E85-A152 WeakPolarHBondContact O-CA 3.36Å; A152-M172 CarbonylContact O-C 3.52Å; A152-M172 VanDerWaalsContact O-CA 3.27Å; A152-M172 WeakPolarHBondContact O-CA 3.47Å; A152-E173 HydrophobicContact CB-CB 3.65Å; A152-E173 PolarHBondContact O-N 2.73Å |
| 153 | I | 92.7 | Very high | 79.4 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 120.3 | 178.1 | -52.7 | 176.2 | 0 | 0 | 0 | 107.7 | L78 E85 L93 F96 P110 L170 L171 M172 | L78-I153 HydrophobicContact CD1-CB 4.37Å; L78-I153 HydrophobicContact CD1-CD1 4.42Å; L78-I153 HydrophobicContact CD1-CG2 3.7Å; L78-I153 HydrophobicContact CD2-CB 4.19Å; L78-I153 HydrophobicContact CD2-CG2 4.34Å; E85-I153 CarbonylContact C-O 3.54Å; E85-I153 WeakPolarHBondContact CA-O 2.98Å; E85-I153 PolarHBondContact N-O 3.42Å; E85-I153 PolarHBondContact O-N 3.49Å; L93-I153 HydrophobicContact CD1-CD1 4.1Å; L93-I153 HydrophobicContact CD2-CD1 4.32Å; F96-I153 HydrophobicContact CE1-CD1 3.88Å; F96-I153 HydrophobicContact CZ-CD1 3.99Å; P110-I153 HydrophobicContact CB-CD1 4.37Å; P110-I153 HydrophobicContact CG-CD1 4.06Å; I153-L170 HydrophobicContact CG2-CD2 4.02Å; I153-L171 CarbonylContact C-O 3.51Å; I153-L171 WeakPolarHBondContact CA-O 3.34Å; I153-M172 HydrophobicContact CD1-CE 3.82Å; I153-M172 HydrophobicContact CG1-CE 3.71Å; I153-M172 HydrophobicContact CG1-CG 4.31Å; I153-M172 HydrophobicContact CG2-CG 4.36Å |
| 154 | T | 92 | Very high | 80.7 | Confident | 6 Ų | 6 | 60.9 Ų | 60.9 | 4% | 0.037 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 117.1 | 166.7 | -51.6 | 0 | 0 | 0 | 0 | 108.1 | G82 Y156 L171 | G82-T154 WeakPolarHBondContact O-CG2 3.43Å; T154-Y156 HydrophobicContact CG2-CD2 4.26Å; T154-Y156 HydrophobicContact CG2-CE2 3.35Å; T154-Y156 WeakPolarHBondContact CG2-OH 3.13Å; T154-L171 PolarHBondContact N-O 2.73Å; T154-L171 PolarHBondContact O-N 2.8Å |
| 155 | C | 89.8 | Confident | 81.5 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 142.1 | -179.2 | -179.2 | 0 | 0 | 0 | 0 | 111.2 | L78 C80 G82 V169 L170 | L78-C155 HydrophobicContact CB-CB 4.37Å; L78-C155 HydrophobicContact CD1-CB 4.16Å; C80-C155 CarbonylContact C-O 3.53Å; C80-C155 WeakPolarHBondContact CA-O 3.21Å; C80-C155 HydrophobicContact CB-CB 3.7Å; C80-C155 WeakPolarHBondContact CB-SG 3.42Å; C80-C155 WeakPolarHBondContact SG-CB 3.47Å; C80-C155 CovalentContact SG-SG 2.03Å; C80-C155 PolarHBondContact SG-SG 2.98Å; G82-C155 WeakPolarHBondContact CA-O 3.46Å; G82-C155 PolarHBondContact N-O 3.21Å; C155-V169 WeakPolarHBondContact CA-O 3.2Å; C155-L170 HydrophobicContact CB-CD2 3.72Å |
| 156 | Y | 87.5 | Confident | 82 | Confident | 108 Ų | 108 | 60 Ų | 60 | 42% | 0.424 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 143.3 | 172.8 | -56.9 | -94.3 | 0 | 0 | 0 | 110.8 | G82 T154 T168 V169 | G82-Y156 VanDerWaalsContact CA-CZ 3.48Å; T154-Y156 HydrophobicContact CG2-CD2 4.26Å; T154-Y156 HydrophobicContact CG2-CE2 3.35Å; T154-Y156 WeakPolarHBondContact CG2-OH 3.13Å; Y156-T168 WeakPolarHBondContact O-CA 3.37Å; Y156-V169 PolarHBondContact N-O 3.35Å; Y156-V169 PolarHBondContact O-N 2.73Å |
| 157 | L | 82.5 | Confident | 82.5 | Confident | 59 Ų | 59 | 60.5 Ų | 60.5 | 31% | 0.309 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 115.7 | 170 | -58.3 | 172.7 | 0 | 0 | 0 | 109.2 | C80 I165 K167 T168 | C80-L157 HydrophobicContact CB-CD1 4.09Å; C80-L157 HydrophobicContact CB-CD2 4.14Å; C80-L157 HydrophobicContact CB-CG 3.69Å; L157-I165 HydrophobicContact CB-CG1 4.44Å; L157-I165 HydrophobicContact CD1-CD1 3.76Å; L157-I165 HydrophobicContact CD1-CG1 4.5Å; L157-I165 HydrophobicContact CD2-CD1 4.49Å; L157-I165 HydrophobicContact CD2-CG2 4.16Å; L157-I165 HydrophobicContact CG-CD1 4.48Å; L157-K167 WeakPolarHBondContact CA-O 3.2Å; L157-T168 HydrophobicContact CD2-CG2 4.21Å |
| 158 | M | 78.2 | Confident | 82.5 | Confident | 78 Ų | 78 | 60.3 Ų | 60.3 | 38% | 0.384 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 120.1 | 167.4 | -59.9 | -167.9 | -112.1 | 0 | 0 | 109.1 | R166 K167 V169 | M158-R166 WeakPolarHBondContact O-CA 3.49Å; M158-R166 WeakPolarHBondContact O-CB 3.45Å; M158-R166 PolarHBondContact O-N 3.35Å; M158-K167 HydrophobicContact CB-CB 4Å; M158-K167 HydrophobicContact CB-CD 4.27Å; M158-K167 HydrophobicContact CB-CG 4.4Å; M158-K167 HydrophobicContact CE-CB 3.91Å; M158-K167 HydrophobicContact CE-CD 3.31Å; M158-K167 HydrophobicContact CE-CG 4.21Å; M158-K167 HydrophobicContact CG-CB 4.38Å; M158-K167 HydrophobicContact CG-CD 4.49Å; M158-K167 PolarHBondContact N-O 3.26Å; M158-K167 PolarHBondContact O-N 3.21Å; M158-K167 VanDerWaalsContact O-N 3.08Å; M158-K167 HydrophobicContact SD-CD 3.7Å; M158-V169 HydrophobicContact CE-CG2 3.34Å; M158-V169 HydrophobicContact CG-CG2 4.42Å |
| 159 | K | 78 | Confident | 82.3 | Confident | 133 Ų | 133 | 60.5 Ų | 60.5 | 58% | 0.578 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 152.9 | 176.5 | -64.2 | 176.8 | 177.6 | -174.9 | 0 | 110.9 | G163 K164 I165 | K159-G163 WeakPolarHBondContact CD-O 3.04Å; K159-G163 WeakPolarHBondContact CG-O 2.86Å; K159-K164 CarbonylContact C-O 3.5Å; K159-K164 WeakPolarHBondContact CA-O 3.5Å; K159-I165 HydrophobicContact CG-CG1 3.96Å |
| 160 | T | 76.8 | Confident | 82.1 | Confident | 56 Ų | 56 | 60.5 Ų | 60.5 | 34% | 0.344 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -70.4 | 170.5 | 164.1 | 65.4 | 0 | 0 | 0 | 0 | 110 | A162 G163 K164 R166 | T160-A162 PolarHBondContact O-N 3.41Å; T160-A162 PolarHBondContact OG1-N 2.8Å; T160-G163 PolarHBondContact O-N 3.24Å; T160-K164 PolarHBondContact N-O 2.75Å; T160-K164 PolarHBondContact OG1-N 2.77Å; T160-K164 PolarHBondContact OG1-O 3.47Å; T160-R166 HydrophobicContact CG2-CB 3.86Å; T160-R166 HydrophobicContact CG2-CG 4.18Å |
| 161 | R | 79.8 | Confident | 82 | Confident | 269 Ų | 269 | 62.9 Ų | 62.9 | 100% | 1.015 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -28.3 | 171.8 | -68.4 | -174.5 | -178.7 | 172.9 | 0 | 112.8 | G163 | R161-G163 PolarHBondContact O-N 2.7Š|
| 162 | A | 82.1 | Confident | 81.9 | Confident | 95 Ų | 95 | 62.5 Ų | 62.5 | 79% | 0.785 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | 7.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | T160 K164 | T160-A162 PolarHBondContact O-N 3.41Å; T160-A162 PolarHBondContact OG1-N 2.8Å; A162-K164 PolarHBondContact O-N 2.8Å |
| 163 | G | 74.4 | Confident | 82 | Confident | 41 Ų | 41 | 64.8 Ų | 64.8 | 42% | 0.423 | 31% | 0.314 | S | S | . | . | S | Bend | trans | 83.3 | -17.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | K159 T160 R161 I165 | K159-G163 WeakPolarHBondContact CD-O 3.04Å; K159-G163 WeakPolarHBondContact CG-O 2.86Å; T160-G163 PolarHBondContact O-N 3.24Å; R161-G163 PolarHBondContact O-N 2.7Å; G163-I165 PolarHBondContact O-N 2.68Å |
| 164 | K | 74.6 | Confident | 81.9 | Confident | 110 Ų | 110 | 64.8 Ų | 64.8 | 48% | 0.478 | 31% | 0.314 | S | S | . | . | trans | -59.2 | 131.6 | 176.1 | 178.7 | 168.6 | -173.2 | 175.5 | 0 | 111.7 | E103 K159 T160 A162 R166 | E103-K164 WeakPolarHBondContact OE2-CA 3.5Å; E103-K164 WeakPolarHBondContact OE2-CG 3.43Å; K159-K164 CarbonylContact C-O 3.5Å; K159-K164 WeakPolarHBondContact CA-O 3.5Å; T160-K164 PolarHBondContact N-O 2.75Å; T160-K164 PolarHBondContact OG1-N 2.77Å; T160-K164 PolarHBondContact OG1-O 3.47Å; A162-K164 PolarHBondContact O-N 2.8Å; K164-R166 PolarHBondContact O-N 3.38Å | ||
| 165 | I | 70.4 | Confident | 81.9 | Confident | 40 Ų | 40 | 64.5 Ų | 64.5 | 21% | 0.205 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 119 | 177.3 | -68.3 | 164.4 | 0 | 0 | 0 | 108.9 | V105 L157 K159 G163 | V105-I165 HydrophobicContact CB-CD1 4.24Å; V105-I165 HydrophobicContact CG1-CD1 3.79Å; V105-I165 HydrophobicContact CG1-CG2 4.47Å; V105-I165 HydrophobicContact CG2-CB 3.5Å; V105-I165 HydrophobicContact CG2-CD1 3.57Å; V105-I165 HydrophobicContact CG2-CG1 4.07Å; V105-I165 HydrophobicContact CG2-CG2 3.75Å; L157-I165 HydrophobicContact CB-CG1 4.44Å; L157-I165 HydrophobicContact CD1-CD1 3.76Å; L157-I165 HydrophobicContact CD1-CG1 4.5Å; L157-I165 HydrophobicContact CD2-CD1 4.49Å; L157-I165 HydrophobicContact CD2-CG2 4.16Å; L157-I165 HydrophobicContact CG-CD1 4.48Å; K159-I165 HydrophobicContact CG-CG1 3.96Å; G163-I165 PolarHBondContact O-N 2.68Å |
| 166 | R | 70.1 | Confident | 81.9 | Confident | 175 Ų | 175 | 68.2 Ų | 68.2 | 66% | 0.66 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.5 | -38.3 | 179.2 | -166.8 | -174.1 | 167.6 | -176.6 | -0.8 | 111.1 | M158 T160 K164 | M158-R166 WeakPolarHBondContact O-CA 3.49Å; M158-R166 WeakPolarHBondContact O-CB 3.45Å; M158-R166 PolarHBondContact O-N 3.35Å; T160-R166 HydrophobicContact CG2-CB 3.86Å; T160-R166 HydrophobicContact CG2-CG 4.18Å; K164-R166 PolarHBondContact O-N 3.38Å |
| 167 | K | 72.3 | Confident | 82.2 | Confident | 44 Ų | 44 | 64.3 Ų | 64.3 | 19% | 0.191 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 141.1 | -168 | -47.7 | 166.3 | 168.5 | -164.6 | 0 | 111.3 | A133 L157 M158 | A133-K167 HydrophobicContact CB-CB 4.21Å; A133-K167 HydrophobicContact CB-CD 3.35Å; A133-K167 VanDerWaalsContact CB-CE 3.44Å; A133-K167 HydrophobicContact CB-CG 3.7Å; L157-K167 WeakPolarHBondContact CA-O 3.2Å; M158-K167 HydrophobicContact CB-CB 4Å; M158-K167 HydrophobicContact CB-CD 4.27Å; M158-K167 HydrophobicContact CB-CG 4.4Å; M158-K167 HydrophobicContact CE-CB 3.91Å; M158-K167 HydrophobicContact CE-CD 3.31Å; M158-K167 HydrophobicContact CE-CG 4.21Å; M158-K167 HydrophobicContact CG-CB 4.38Å; M158-K167 HydrophobicContact CG-CD 4.49Å; M158-K167 PolarHBondContact N-O 3.26Å; M158-K167 PolarHBondContact O-N 3.21Å; M158-K167 VanDerWaalsContact O-N 3.08Å; M158-K167 HydrophobicContact SD-CD 3.7Å |
| 168 | T | 77.7 | Confident | 82.5 | Confident | 9 Ų | 9 | 63 Ų | 63 | 6% | 0.055 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 126.7 | 164.1 | -49.4 | 0 | 0 | 0 | 0 | 108 | Y156 L157 L170 | Y156-T168 WeakPolarHBondContact O-CA 3.37Å; L157-T168 HydrophobicContact CD2-CG2 4.21Å; T168-L170 HydrophobicContact CG2-CD2 4.22Å; T168-L170 HydrophobicContact CG2-CG 4.47Å |
| 169 | V | 83.8 | Confident | 83 | Confident | 25 Ų | 25 | 65.6 Ų | 65.6 | 15% | 0.152 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 129.6 | 175.1 | -179.2 | 0 | 0 | 0 | 0 | 108.3 | L129 C155 Y156 M158 | L129-V169 HydrophobicContact CD1-CG1 3.73Å; C155-V169 WeakPolarHBondContact CA-O 3.2Å; Y156-V169 PolarHBondContact N-O 3.35Å; Y156-V169 PolarHBondContact O-N 2.73Å; M158-V169 HydrophobicContact CE-CG2 3.34Å; M158-V169 HydrophobicContact CG-CG2 4.42Å |
| 170 | L | 87.9 | Confident | 83.4 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 112.6 | 174.5 | -58.9 | 176.9 | 0 | 0 | 0 | 109.4 | I48 I56 L78 L108 M130 L131 I153 C155 T168 | I48-L170 HydrophobicContact CD1-CD1 4.27Å; I48-L170 HydrophobicContact CG2-CD1 4.22Å; I56-L170 HydrophobicContact CD1-CD1 4.48Å; L78-L170 HydrophobicContact CD1-CD2 4.19Å; L108-L170 HydrophobicContact CD1-CD1 3.91Å; L108-L170 HydrophobicContact CD1-CD2 4.28Å; M130-L170 PolarHBondContact N-O 3.35Å; L131-L170 HydrophobicContact CB-CB 4.05Å; L131-L170 HydrophobicContact CB-CD1 4.14Å; L131-L170 HydrophobicContact CB-CG 4.19Å; L131-L170 HydrophobicContact CD2-CD1 4.05Å; L131-L170 HydrophobicContact CD2-CG 4.38Å; L131-L170 PolarHBondContact N-O 2.72Å; L131-L170 PolarHBondContact O-N 2.92Å; I153-L170 HydrophobicContact CG2-CD2 4.02Å; C155-L170 HydrophobicContact CB-CD2 3.72Å; T168-L170 HydrophobicContact CG2-CD2 4.22Å; T168-L170 HydrophobicContact CG2-CG 4.47Å |
| 171 | L | 89.5 | Confident | 83.7 | Confident | 53 Ų | 53 | 68.8 Ų | 68.8 | 28% | 0.277 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 127.1 | 167.7 | -171.9 | 75.2 | 0 | 0 | 0 | 107.5 | M127 L129 I153 T154 | M127-L171 HydrophobicContact CB-CD1 4.27Å; M127-L171 HydrophobicContact CB-CD2 4.05Å; M127-L171 HydrophobicContact CB-CG 4.06Å; M127-L171 HydrophobicContact CE-CB 4.23Å; M127-L171 HydrophobicContact CE-CD2 3.63Å; M127-L171 HydrophobicContact CE-CG 3.61Å; M127-L171 HydrophobicContact CG-CD2 4.35Å; L129-L171 HydrophobicContact CB-CD1 4.3Å; I153-L171 CarbonylContact C-O 3.51Å; I153-L171 WeakPolarHBondContact CA-O 3.34Å; T154-L171 PolarHBondContact N-O 2.73Å; T154-L171 PolarHBondContact O-N 2.8Å |
| 172 | M | 90.1 | Very high | 83.9 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 138.4 | -172 | -59.6 | -176.2 | 78.6 | 0 | 0 | 111.7 | I48 L93 M127 R128 M130 Y150 A152 I153 A174 | I48-M172 HydrophobicContact CD1-CE 3.99Å; I48-M172 HydrophobicContact CD1-SD 3.33Å; I48-M172 WeakPolarHBondContact CD1-SD 3.36Å; L93-M172 HydrophobicContact CB-CE 4.44Å; L93-M172 HydrophobicContact CD2-CE 3.3Å; L93-M172 HydrophobicContact CG-CE 4.42Å; M127-M172 CarbonylContact C-O 3.47Å; M127-M172 WeakPolarHBondContact CA-O 3.34Å; R128-M172 PolarHBondContact N-O 2.79Å; R128-M172 PolarHBondContact O-N 2.84Å; M130-M172 HydrophobicContact CB-CG 3.99Å; M130-M172 HydrophobicContact CB-SD 3.62Å; M130-M172 HydrophobicContact CG-CB 3.87Å; M130-M172 HydrophobicContact CG-CG 3.86Å; M130-M172 HydrophobicContact CG-SD 3.54Å; M130-M172 VanDerWaalsContact CG-SD 3.54Å; Y150-M172 VanDerWaalsContact CB-CE 3.44Å; Y150-M172 HydrophobicContact CD1-CB 3.7Å; Y150-M172 HydrophobicContact CD1-CE 4.39Å; Y150-M172 HydrophobicContact CD1-SD 4.33Å; Y150-M172 HydrophobicContact CE1-CB 4.38Å; Y150-M172 HydrophobicContact CG-CB 4.33Å; Y150-M172 HydrophobicContact CG-CE 3.89Å; Y150-M172 HydrophobicContact CG-SD 4.26Å; A152-M172 CarbonylContact O-C 3.52Å; A152-M172 VanDerWaalsContact O-CA 3.27Å; A152-M172 WeakPolarHBondContact O-CA 3.47Å; I153-M172 HydrophobicContact CD1-CE 3.82Å; I153-M172 HydrophobicContact CG1-CE 3.71Å; I153-M172 HydrophobicContact CG1-CG 4.31Å; I153-M172 HydrophobicContact CG2-CG 4.36Å; M172-A174 PolarHBondContact O-N 2.68Å |
| 173 | E | 91.3 | Very high | 84 | Confident | 59 Ų | 59 | 56.2 Ų | 56.2 | 28% | 0.276 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 109.9 | 172.8 | -170.5 | -179.8 | -137.8 | 0 | 0 | 109.7 | C125 M127 Y150 Q151 A152 | C125-E173 HydrophobicContact CB-CG 3.68Å; C125-E173 WeakPolarHBondContact CB-OE1 3.24Å; M127-E173 HydrophobicContact SD-CB 3.62Å; M127-E173 HydrophobicContact SD-CG 4.17Å; Y150-E173 CarbonylContact C-O 3.49Å; Y150-E173 VanDerWaalsContact CA-O 3.23Å; Y150-E173 WeakPolarHBondContact CA-O 3.16Å; Q151-E173 PolarHBondContact N-O 2.7Å; A152-E173 HydrophobicContact CB-CB 3.65Å; A152-E173 PolarHBondContact O-N 2.73Å |
| 174 | A | 90.4 | Very high | 84.6 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 121.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | C125 N126 R128 W148 Y150 M172 | C125-A174 CarbonylContact C-O 3.48Å; C125-A174 VanDerWaalsContact CA-O 3.26Å; C125-A174 WeakPolarHBondContact CA-O 3.41Å; N126-A174 PolarHBondContact N-O 2.7Å; N126-A174 PolarHBondContact O-N 2.7Å; R128-A174 HydrophobicContact CG-CB 4.01Å; W148-A174 HydrophobicContact CB-CB 3.97Å; W148-A174 HydrophobicContact CD2-CB 4.47Å; W148-A174 HydrophobicContact CE3-CB 4.27Å; W148-A174 HydrophobicContact CG-CB 4.35Å; Y150-A174 HydrophobicContact CD1-CB 3.78Å; Y150-A174 HydrophobicContact CE1-CB 3.58Å; M172-A174 PolarHBondContact O-N 2.68Å |
| 175 | C | 91.9 | Very high | 85.2 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 138.9 | -178.5 | -61.4 | 0 | 0 | 0 | 0 | 112.5 | I120 K124 C125 W148 L149 Q151 | I120-C175 HydrophobicContact CG2-CB 3.34Å; K124-C175 CarbonylContact O-C 3.59Å; K124-C175 WeakPolarHBondContact O-CA 3.49Å; C125-C175 HydrophobicContact CB-CB 4.14Å; C125-C175 WeakPolarHBondContact CB-SG 3.36Å; C125-C175 WeakPolarHBondContact SG-CB 3.33Å; C125-C175 CovalentContact SG-SG 2.04Å; C125-C175 PolarHBondContact SG-SG 2.92Å; W148-C175 CarbonylContact C-O 3.57Å; W148-C175 WeakPolarHBondContact CA-O 3.33Å; W148-C175 WeakPolarHBondContact CB-O 3.47Å; L149-C175 PolarHBondContact N-O 2.98Å; L149-C175 PolarHBondContact O-N 2.8Å; Q151-C175 PolarHBondContact OE1-SG 2.91Å; Q151-C175 VanDerWaalsContact OE1-SG 3.37Å |
| 176 | K | 91.3 | Very high | 86.2 | Confident | 79 Ų | 79 | 54.7 Ų | 54.7 | 34% | 0.343 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 142.5 | 171.1 | -68.9 | -165.8 | 179 | 176.3 | 0 | 109.3 | N121 K124 W148 | N121-K176 PolarHBondContact N-O 3.29Å; K124-K176 HydrophobicContact CB-CB 4.03Å; K124-K176 HydrophobicContact CB-CD 4.3Å; K124-K176 HydrophobicContact CB-CG 4.13Å; K124-K176 HydrophobicContact CD-CD 4.12Å; K124-K176 PolarHBondContact O-N 2.74Å; W148-K176 HydrophobicContact CD2-CG 3.94Å; W148-K176 HydrophobicContact CE3-CB 4.4Å; W148-K176 HydrophobicContact CE3-CG 3.67Å; W148-K176 HydrophobicContact CH2-CD 4.02Å; W148-K176 VanDerWaalsContact CH2-CE 3.41Å; W148-K176 HydrophobicContact CH2-CG 3.48Å; W148-K176 VanDerWaalsContact CH2-CG 3.48Å; W148-K176 HydrophobicContact CZ2-CD 4.14Å; W148-K176 HydrophobicContact CZ2-CG 3.71Å; W148-K176 HydrophobicContact CZ3-CB 4.42Å; W148-K176 HydrophobicContact CZ3-CD 4.46Å; W148-K176 HydrophobicContact CZ3-CG 3.47Å; W148-K176 VanDerWaalsContact CZ3-CG 3.47Å |
| 177 | Y | 92.2 | Very high | 87.4 | Confident | 25 Ų | 25 | 46.1 Ų | 46.1 | 10% | 0.098 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 162 | 173.6 | 77.2 | -82.8 | 0 | 0 | 0 | 111.9 | L63 R64 L67 V118 Q119 P147 L149 | L63-Y177 WeakPolarHBondContact CA-OH 3.42Å; L63-Y177 HydrophobicContact CD2-CE2 3.92Å; R64-Y177 HydrophobicContact CB-CE2 4.42Å; R64-Y177 PolarHBondContact N-OH 3.4Å; R64-Y177 VanDerWaalsContact N-OH 3.11Å; L67-Y177 HydrophobicContact CD1-CD2 4.49Å; L67-Y177 HydrophobicContact CD1-CE2 4.26Å; V118-Y177 HydrophobicContact CG1-CD2 4.14Å; Q119-Y177 CarbonylContact O-C 3.54Å; Q119-Y177 WeakPolarHBondContact O-CA 3.45Å; Q119-Y177 WeakPolarHBondContact O-CB 3.28Å; P147-Y177 HydrophobicContact CB-CD1 4.49Å; P147-Y177 HydrophobicContact CB-CE1 3.49Å; P147-Y177 VanDerWaalsContact CB-CE1 3.49Å; P147-Y177 HydrophobicContact CG-CD1 4.25Å; P147-Y177 HydrophobicContact CG-CE1 3.41Å; P147-Y177 VanDerWaalsContact CG-CE1 3.41Å; P147-Y177 WeakPolarHBondContact CG-OH 3.18Å; P147-Y177 WeakPolarHBondContact O-CD1 3.48Å; L149-Y177 HydrophobicContact CB-CD1 4.4Å; L149-Y177 HydrophobicContact CD1-CD1 3.87Å; L149-Y177 HydrophobicContact CD1-CD2 4.11Å; L149-Y177 HydrophobicContact CD1-CE1 4.37Å; L149-Y177 HydrophobicContact CD1-CG 3.65Å; L149-Y177 HydrophobicContact CD2-CD1 4.12Å; L149-Y177 HydrophobicContact CD2-CE1 3.93Å; L149-Y177 HydrophobicContact CG-CD1 3.43Å; L149-Y177 VanDerWaalsContact CG-CD1 3.43Å; L149-Y177 HydrophobicContact CG-CE1 3.79Å; L149-Y177 HydrophobicContact CG-CG 3.79Å |
| 178 | G | 89.4 | Confident | 88.5 | Confident | 32 Ų | 32 | 46.3 Ų | 46.3 | 33% | 0.33 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 178.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q119 | Q119-G178 PolarHBondContact N-O 3.02Å; Q119-G178 PolarHBondContact O-N 3.19Å |
| 179 | K | 89.3 | Confident | 89.4 | Confident | 133 Ų | 133 | 49.4 Ų | 49.4 | 58% | 0.578 | 24% | 0.239 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 133.1 | 163.8 | -176.3 | 175.8 | 175.3 | -170.7 | 0 | 107.5 | L67 K117 | L67-K179 HydrophobicContact CD1-CB 4.29Å; L67-K179 HydrophobicContact CD2-CB 4.35Å; L67-K179 HydrophobicContact CD2-CG 4.15Å; K117-K179 WeakPolarHBondContact O-CA 3.17Å |
| 180 | K | 86.1 | Confident | 89.9 | Confident | 187 Ų | 187 | 51.6 Ų | 51.6 | 81% | 0.813 | 25% | 0.247 | S | C | * | . | trans | -66.6 | 0 | 171.3 | -168.1 | -179.5 | 177.4 | -171.2 | 0 | 110.7 | K116 K117 Q119 | K116-K180 WeakPolarHBondContact O-CD 3.44Å; K117-K180 PolarHBondContact O-N 3.4Å; Q119-K180 HydrophobicContact CB-CB 4.15Å; Q119-K180 HydrophobicContact CB-CG 4.48Å |
Retrieved 180 of 180 residues in 47.3 ms
(Link to these results)