| 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 | 37.6 | Very low | 26.6 | Very low | 225 Ų | 225 | 155.7 Ų | 155.7 | 100% | 1.108 | 79% | 0.79 | S | S | * | * | 0 | 78.9 | 0 | -58.8 | -161.4 | -169.5 | 0 | 0 | 106.7 | |||||
| 2 | D | 26.1 | Very low | 26.2 | Very low | 118 Ų | 118 | 160.9 Ų | 160.9 | 63% | 0.631 | 79% | 0.793 | S | S | * | * | 59.2 | 120.3 | 64.7 | -52.9 | -67.6 | 0 | 0 | 0 | 109.2 | |||||
| 3 | Y | 31.4 | Very low | 25.9 | Very low | 208 Ų | 208 | 154.9 Ų | 154.9 | 82% | 0.816 | 78% | 0.775 | S | S | * | * | cis | -141.1 | 127.3 | 21.5 | -68.4 | -103 | 0 | 0 | 0 | 106.9 | ||||
| 4 | R | 23.6 | Very low | 25.7 | Very low | 211 Ų | 211 | 155.3 Ų | 155.3 | 80% | 0.796 | 78% | 0.781 | S | S | * | * | 59.9 | 125.1 | 70.7 | -79.1 | -166.7 | 179.3 | -176.5 | 2.2 | 114.1 | |||||
| 5 | T | 27.6 | Very low | 25.5 | Very low | 117 Ų | 117 | 154.3 Ų | 154.3 | 72% | 0.718 | 78% | 0.777 | S | S | * | * | trans | 72 | 136 | 134.6 | 46.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 6 | L | 25.5 | Very low | 25.3 | Very low | 164 Ų | 164 | 148.7 Ų | 148.7 | 86% | 0.859 | 76% | 0.761 | S | S | * | * | cis | -156.4 | 137.9 | 8.9 | -90.7 | 135.8 | 0 | 0 | 0 | 104.4 | ||||
| 7 | G | 24.8 | Very low | 25.1 | Very low | 54 Ų | 54 | 150.4 Ų | 150.4 | 56% | 0.557 | 77% | 0.772 | S | S | * | * | 101.2 | 100 | 75.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 8 | T | 26.5 | Very low | 24.9 | Very low | 127 Ų | 127 | 146.8 Ų | 146.8 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | 50.3 | 113 | 96.2 | 59.4 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 9 | N | 24.7 | Very low | 24.7 | Very low | 146 Ų | 146 | 147.2 Ų | 147.2 | 78% | 0.781 | 77% | 0.765 | S | S | * | * | trans | 173.9 | 93.4 | 136.2 | -81.3 | -20.3 | 0 | 0 | 0 | 105 | M11 | N9-M11 PolarHBondContact O-N 3.17Š| ||
| 10 | E | 23.2 | Very low | 24.6 | Very low | 171 Ų | 171 | 144.9 Ų | 144.9 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | 25.3 | 91.4 | 94.4 | -74.6 | -162.3 | 144.4 | 0 | 0 | 112.2 | |||||
| 11 | M | 22 | Very low | 24.5 | Very low | 172 Ų | 172 | 143.9 Ų | 143.9 | 85% | 0.847 | 77% | 0.768 | S | S | * | * | trans | -126.2 | 82.8 | 140.9 | -96.6 | -170.3 | -83.3 | 0 | 0 | 108.1 | N9 C13 | N9-M11 PolarHBondContact O-N 3.17Å; M11-C13 PolarHBondContact O-N 3.42Å | ||
| 12 | R | 21.9 | Very low | 23.8 | Very low | 218 Ų | 218 | 136.3 Ų | 136.3 | 82% | 0.823 | 75% | 0.748 | S | S | * | * | trans | -52.5 | 118.1 | 137.3 | -77.1 | 176.7 | 161.5 | -178 | -4.1 | 107.6 | ||||
| 13 | C | 21.5 | Very low | 23.6 | Very low | 83 Ų | 83 | 136.4 Ų | 136.4 | 56% | 0.561 | 76% | 0.758 | S | S | * | * | trans | -134.1 | 108.5 | 150.6 | -89.1 | 0 | 0 | 0 | 0 | 102.9 | M11 I15 | M11-C13 PolarHBondContact O-N 3.42Å; C13-I15 HydrophobicContact CB-CD1 4.11Å; C13-I15 HydrophobicContact CB-CG1 3.89Å; C13-I15 VanDerWaalsContact SG-CD1 3.59Å | ||
| 14 | N | 23.1 | Very low | 23.2 | Very low | 160 Ų | 160 | 129.7 Ų | 129.7 | 86% | 0.856 | 75% | 0.752 | S | S | * | * | cis | 36.1 | 61.5 | 34.7 | -85.4 | 11.3 | 0 | 0 | 0 | 112.4 | ||||
| 15 | I | 22.7 | Very low | 23.1 | Very low | 141 Ų | 141 | 124.4 Ų | 124.4 | 72% | 0.723 | 75% | 0.747 | S | S | * | * | trans | -130 | 98.3 | 155.3 | -64.6 | 177.7 | 0 | 0 | 0 | 107.8 | C13 | C13-I15 HydrophobicContact CB-CD1 4.11Å; C13-I15 HydrophobicContact CB-CG1 3.89Å; C13-I15 VanDerWaalsContact SG-CD1 3.59Å | ||
| 16 | A | 22.1 | Very low | 22.8 | Very low | 64 Ų | 64 | 126.3 Ų | 126.3 | 53% | 0.529 | 75% | 0.752 | S | S | . | * | trans | 62.5 | 113 | 141.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | S18 | A16-S18 VanDerWaalsContact C-N 3.3Å; A16-S18 WeakPolarHBondContact CB-OG 3.38Å | ||
| 17 | N | 22.9 | Very low | 22.7 | Very low | 177 Ų | 177 | 121.9 Ų | 121.9 | 95% | 0.947 | 74% | 0.739 | S | S | * | * | cis | 23.2 | 61.2 | 29.4 | -78.9 | 0.9 | 0 | 0 | 0 | 113.7 | ||||
| 18 | S | 20.8 | Very low | 22.6 | Very low | 86 Ų | 86 | 126 Ų | 126 | 60% | 0.601 | 75% | 0.748 | S | S | * | * | trans | -142 | 93 | 162.3 | -57.5 | 0 | 0 | 0 | 0 | 109.1 | A16 | A16-S18 VanDerWaalsContact C-N 3.3Å; A16-S18 WeakPolarHBondContact CB-OG 3.38Å | ||
| 19 | L | 21.5 | Very low | 22.6 | Very low | 155 Ų | 155 | 127.5 Ų | 127.5 | 81% | 0.812 | 75% | 0.751 | S | S | * | * | trans | 61.4 | 97.1 | 130.5 | -65.8 | 136.3 | 0 | 0 | 0 | 117.8 | ||||
| 20 | A | 23 | Very low | 22.5 | Very low | 101 Ų | 101 | 124.4 Ų | 124.4 | 84% | 0.835 | 75% | 0.754 | S | S | * | * | -145.2 | 86.2 | 119.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | G22 | A20-G22 PolarHBondContact O-N 3.28Š| |||
| 21 | T | 22.5 | Very low | 22.5 | Very low | 124 Ų | 124 | 121.2 Ų | 121.2 | 76% | 0.761 | 76% | 0.757 | S | S | * | * | trans | -38.6 | 117.1 | 151 | 37.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 22 | G | 22.8 | Very low | 22.5 | Very low | 65 Ų | 65 | 116.5 Ų | 116.5 | 67% | 0.67 | 75% | 0.753 | S | S | * | * | trans | -162 | 67.6 | 163.2 | 0 | 0 | 0 | 0 | 0 | 104.9 | A20 | A20-G22 PolarHBondContact O-N 3.28Š| ||
| 23 | S | 22.4 | Very low | 22.6 | Very low | 121 Ų | 121 | 112.8 Ų | 112.8 | 85% | 0.846 | 75% | 0.749 | S | S | * | * | 45.1 | 99.5 | 88.2 | -56.5 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 24 | G | 22.3 | Very low | 22.7 | Very low | 67 Ų | 67 | 116.6 Ų | 116.6 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | trans | 149.7 | 48.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 25 | S | 21.2 | Very low | 22.7 | Very low | 99 Ų | 99 | 117.3 Ų | 117.3 | 69% | 0.692 | 76% | 0.759 | S | S | * | * | 50.8 | 90.3 | 86.1 | 171.5 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 26 | L | 22.2 | Very low | 22.8 | Very low | 158 Ų | 158 | 116 Ų | 116 | 83% | 0.827 | 76% | 0.757 | S | S | * | * | 93.1 | 139 | 107.1 | -86.8 | 143.2 | 0 | 0 | 0 | 112.4 | |||||
| 27 | A | 22.8 | Very low | 22.9 | Very low | 70 Ų | 70 | 118.7 Ų | 118.7 | 58% | 0.579 | 77% | 0.767 | S | S | * | * | trans | 90.3 | 106.4 | 141.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 28 | N | 24.1 | Very low | 23 | Very low | 141 Ų | 141 | 116.3 Ų | 116.3 | 75% | 0.754 | 76% | 0.755 | S | S | * | * | 85 | 107.4 | 123 | -62.8 | -10.9 | 0 | 0 | 0 | 115.8 | |||||
| 29 | N | 25.3 | Very low | 23.2 | Very low | 158 Ų | 158 | 117.8 Ų | 117.8 | 85% | 0.845 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 77.3 | 81.6 | 141.6 | -56 | -23.2 | 0 | 0 | 0 | 115.9 | ||
| 30 | G | 23.4 | Very low | 23.6 | Very low | 82 Ų | 82 | 117.6 Ų | 117.6 | 85% | 0.845 | 75% | 0.748 | S | S | * | * | S | Bend | 99.5 | 55.5 | 127.8 | 0 | 0 | 0 | 0 | 0 | 118 | |||
| 31 | A | 22.5 | Very low | 23.7 | Very low | 104 Ų | 104 | 118.4 Ų | 118.4 | 86% | 0.86 | 74% | 0.735 | S | S | * | * | trans | -172.3 | 71 | 158 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 32 | G | 22.5 | Very low | 23.9 | Very low | 73 Ų | 73 | 117.3 Ų | 117.3 | 75% | 0.753 | 73% | 0.73 | S | S | * | * | trans | -99.5 | 98.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L34 | G32-L34 PolarHBondContact O-N 3.45Š| ||
| 33 | N | 23.4 | Very low | 24.1 | Very low | 140 Ų | 140 | 116.7 Ų | 116.7 | 75% | 0.749 | 72% | 0.719 | S | S | * | * | trans | -54.7 | 106.2 | 167.4 | -82.8 | -30.9 | 0 | 0 | 0 | 110.1 | F35 | N33-F35 VanDerWaalsContact C-N 3.28Å; N33-F35 HydrophobicContact CB-CD2 4.17Å; N33-F35 HydrophobicContact CB-CE2 3.98Å; N33-F35 WeakPolarHBondContact O-CD2 3.07Å; N33-F35 PolarHBondContact O-N 3.19Å | ||
| 34 | L | 22.9 | Very low | 24.2 | Very low | 163 Ų | 163 | 115.8 Ų | 115.8 | 85% | 0.853 | 71% | 0.71 | S | S | * | * | trans | -67.1 | 90.2 | 165.9 | -98.3 | 138.2 | 0 | 0 | 0 | 108.3 | G32 V36 | G32-L34 PolarHBondContact O-N 3.45Å; L34-V36 VanDerWaalsContact C-N 3.32Å; L34-V36 PolarHBondContact O-N 3.02Å | ||
| 35 | F | 24.4 | Very low | 24.2 | Very low | 175 Ų | 175 | 116.7 Ų | 116.7 | 77% | 0.768 | 71% | 0.711 | S | S | * | * | trans | -65.7 | 96.2 | 162.2 | -78.9 | -87.8 | 0 | 0 | 0 | 107.9 | N33 T37 | N33-F35 VanDerWaalsContact C-N 3.28Å; N33-F35 HydrophobicContact CB-CD2 4.17Å; N33-F35 HydrophobicContact CB-CE2 3.98Å; N33-F35 WeakPolarHBondContact O-CD2 3.07Å; N33-F35 PolarHBondContact O-N 3.19Å; F35-T37 PolarHBondContact O-N 3.31Å | ||
| 36 | V | 24 | Very low | 24.4 | Very low | 114 Ų | 114 | 120.2 Ų | 120.2 | 69% | 0.691 | 72% | 0.72 | S | S | * | * | trans | -63.8 | 105.8 | 165.2 | -179.6 | 0 | 0 | 0 | 0 | 107 | L34 N38 | L34-V36 VanDerWaalsContact C-N 3.32Å; L34-V36 PolarHBondContact O-N 3.02Å; V36-N38 PolarHBondContact O-N 2.76Å | ||
| 37 | T | 23.6 | Very low | 24.4 | Very low | 120 Ų | 120 | 120.1 Ų | 120.1 | 74% | 0.736 | 72% | 0.72 | S | S | * | * | trans | -69.3 | 110.5 | 173.4 | 39.1 | 0 | 0 | 0 | 0 | 108.7 | F35 T39 | F35-T37 PolarHBondContact O-N 3.31Å; T37-T39 PolarHBondContact O-N 3.17Å | ||
| 38 | N | 25.4 | Very low | 24.4 | Very low | 127 Ų | 127 | 124.4 Ų | 124.4 | 68% | 0.679 | 73% | 0.728 | S | S | * | * | trans | -59.6 | 110.6 | 173.9 | -80.4 | -28.4 | 0 | 0 | 0 | 109.9 | V36 W40 | V36-N38 PolarHBondContact O-N 2.76Å; N38-W40 PolarHBondContact O-N 3.38Å | ||
| 39 | T | 25.7 | Very low | 24.4 | Very low | 116 Ų | 116 | 122.1 Ų | 122.1 | 71% | 0.712 | 73% | 0.729 | S | S | * | * | trans | -77.4 | 109.5 | 171.6 | 31.8 | 0 | 0 | 0 | 0 | 108.7 | T37 | T37-T39 PolarHBondContact O-N 3.17Š| ||
| 40 | W | 28.7 | Very low | 24.3 | Very low | 151 Ų | 151 | 119.6 Ų | 119.6 | 57% | 0.572 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 121.9 | 174.5 | -65.7 | 97.3 | 0 | 0 | 0 | 109.4 | N38 Y103 | N38-W40 PolarHBondContact O-N 3.38Å; W40-Y103 HydrophobicContact CB-CD1 3.69Å; W40-Y103 HydrophobicContact CB-CE1 3.76Å; W40-Y103 AromaticContact CD2-CD1 3.95Å; W40-Y103 HydrophobicContact CD2-CD1 3.95Å; W40-Y103 HydrophobicContact CD2-CE1 4.49Å; W40-Y103 HydrophobicContact CD2-CG 4.36Å; W40-Y103 VanDerWaalsContact CE3-CB 3.44Å; W40-Y103 AromaticContact CE3-CD1 3.56Å; W40-Y103 HydrophobicContact CE3-CD1 3.56Å; W40-Y103 HydrophobicContact CE3-CE1 4.5Å; W40-Y103 AromaticContact CE3-CG 3.68Å; W40-Y103 HydrophobicContact CE3-CG 3.68Å; W40-Y103 HydrophobicContact CG-CD1 4.07Å; W40-Y103 HydrophobicContact CG-CE1 4.25Å; W40-Y103 VanDerWaalsContact CZ3-CB 3.48Å; W40-Y103 HydrophobicContact CZ3-CD1 4.39Å; W40-Y103 HydrophobicContact CZ3-CG 4.06Å |
| 41 | Q | 27.1 | Very low | 24.1 | Very low | 119 Ų | 119 | 123.9 Ų | 123.9 | 56% | 0.556 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -102.6 | 135.8 | 169.4 | -78.9 | -171.4 | -33.4 | 0 | 0 | 110.7 | M106 | Q41-M106 HydrophobicContact CB-CE 4.43Å; Q41-M106 HydrophobicContact CG-CE 4.02Å |
| 42 | P | 25.7 | Very low | 24.3 | Very low | 100 Ų | 100 | 125.7 Ų | 125.7 | 65% | 0.649 | 72% | 0.717 | S | S | * | * | B | Isolated β-bridge | trans | -66.2 | 135.7 | 173.2 | 25.4 | -30.3 | 0 | 0 | 0 | 110.7 | ||
| 43 | A | 25.9 | Very low | 24.3 | Very low | 53 Ų | 53 | 132.6 Ų | 132.6 | 44% | 0.438 | 72% | 0.722 | S | S | . | * | P | Polyproline II helix | trans | -69.4 | 134.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | A102 | A43-A102 HydrophobicContact CB-CB 4.24Å; A43-A102 PolarHBondContact N-O 2.89Å |
| 44 | P | 24.6 | Very low | 24.3 | Very low | 101 Ų | 101 | 132.4 Ų | 132.4 | 66% | 0.656 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 142.1 | 179.4 | 24.1 | -31.2 | 0 | 0 | 0 | 111.6 | ||
| 45 | A | 24.1 | Very low | 24.3 | Very low | 86 Ų | 86 | 131.9 Ų | 131.9 | 71% | 0.711 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 148.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | N47 E48 | A45-N47 PolarHBondContact O-N 3.35Å; A45-E48 PolarHBondContact O-N 3.25Å |
| 46 | I | 24.1 | Very low | 24.2 | Very low | 173 Ų | 173 | 129.9 Ų | 129.9 | 89% | 0.887 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.3 | 7.1 | -160.6 | -66.3 | 164.5 | 0 | 0 | 0 | 116 | ||
| 47 | N | 23 | Very low | 24.1 | Very low | 156 Ų | 156 | 128.2 Ų | 128.2 | 83% | 0.834 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.5 | 4.6 | -179 | -72.2 | -14 | 0 | 0 | 0 | 115.8 | A45 | A45-N47 PolarHBondContact O-N 3.35Š|
| 48 | E | 22.6 | Very low | 24.1 | Very low | 160 Ų | 160 | 130.1 Ų | 130.1 | 75% | 0.748 | 73% | 0.726 | S | S | * | * | trans | -140 | 74.2 | 178.6 | -65.5 | -179 | -177.4 | 0 | 0 | 111.1 | A45 P50 | A45-E48 PolarHBondContact O-N 3.25Å; E48-P50 WeakPolarHBondContact O-CD 3.43Å | ||
| 49 | A | 23.2 | Very low | 24.1 | Very low | 94 Ų | 94 | 130.3 Ų | 130.3 | 78% | 0.777 | 73% | 0.727 | S | S | * | * | trans | -81.5 | 118.7 | 164.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | M51 | A49-M51 PolarHBondContact O-N 3.33Š| ||
| 50 | P | 22.7 | Very low | 24 | Very low | 105 Ų | 105 | 131.2 Ų | 131.2 | 68% | 0.682 | 73% | 0.732 | S | S | * | * | trans | -67.4 | 122.7 | 177.1 | 25.4 | -29.9 | 0 | 0 | 0 | 109.6 | E48 N52 | E48-P50 WeakPolarHBondContact O-CD 3.43Å; P50-N52 PolarHBondContact O-N 3.05Å | ||
| 51 | M | 21.2 | Very low | 23.9 | Very low | 172 Ų | 172 | 132 Ų | 132 | 85% | 0.847 | 74% | 0.742 | S | S | * | * | trans | -63.4 | 98.5 | 168.3 | -76 | -172.5 | 179.7 | 0 | 0 | 109.1 | A49 Y53 | A49-M51 PolarHBondContact O-N 3.33Å; M51-Y53 PolarHBondContact O-N 2.91Å | ||
| 52 | N | 25.8 | Very low | 24 | Very low | 141 Ų | 141 | 134.2 Ų | 134.2 | 75% | 0.754 | 75% | 0.752 | S | S | * | * | trans | -82.4 | 102.7 | 166.6 | -81.5 | -18.3 | 0 | 0 | 0 | 109 | P50 V54 | P50-N52 PolarHBondContact O-N 3.05Å; N52-V54 PolarHBondContact O-N 3.18Å | ||
| 53 | Y | 21.4 | Very low | 24 | Very low | 218 Ų | 218 | 138.2 Ų | 138.2 | 86% | 0.855 | 76% | 0.762 | S | S | * | * | trans | -54.7 | 114.6 | 162.9 | -89.9 | -101.3 | 0 | 0 | 0 | 109.4 | M51 H55 | M51-Y53 PolarHBondContact O-N 2.91Å; Y53-H55 PolarHBondContact O-N 3.47Å | ||
| 54 | V | 24 | Very low | 24 | Very low | 136 Ų | 136 | 142.5 Ų | 142.5 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | trans | -84.1 | 111.4 | 170.2 | -177.9 | 0 | 0 | 0 | 0 | 107.8 | N52 | N52-V54 PolarHBondContact O-N 3.18Š| ||
| 55 | H | 22.2 | Very low | 23.8 | Very low | 153 Ų | 153 | 146.8 Ų | 146.8 | 71% | 0.708 | 78% | 0.782 | S | S | * | * | trans | -66.1 | 133.9 | 176.3 | -133.5 | -67.9 | 0 | 0 | 0 | 109.9 | Y53 A57 | Y53-H55 PolarHBondContact O-N 3.47Å; H55-A57 PolarHBondContact O-N 2.81Å | ||
| 56 | P | 22.6 | Very low | 23.8 | Very low | 132 Ų | 132 | 150.9 Ų | 150.9 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | 16.2 | -169.8 | -13.4 | 28.9 | 0 | 0 | 0 | 116 | ||
| 57 | A | 22.9 | Very low | 23.7 | Very low | 80 Ų | 80 | 149.8 Ų | 149.8 | 66% | 0.661 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.8 | 13.4 | -157.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | H55 | H55-A57 PolarHBondContact O-N 2.81Š|
| 58 | L | 23 | Very low | 23.8 | Very low | 159 Ų | 159 | 148 Ų | 148 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -114.5 | 120.5 | -175.7 | -76.1 | 162.2 | 0 | 0 | 0 | 112.9 | ||
| 59 | N | 25 | Very low | 23.8 | Very low | 131 Ų | 131 | 146.6 Ų | 146.6 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | trans | -53.7 | 133.9 | -167.6 | -124.2 | -19.8 | 0 | 0 | 0 | 114 | Q61 | N59-Q61 PolarHBondContact O-N 2.84Š| ||
| 60 | V | 24.6 | Very low | 23.8 | Very low | 136 Ų | 136 | 147.2 Ų | 147.2 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | 21.7 | -175.1 | -167.7 | 0 | 0 | 0 | 0 | 112.7 | ||
| 61 | Q | 25.9 | Very low | 23.7 | Very low | 166 Ų | 166 | 152.6 Ų | 152.6 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.2 | -8.5 | -176.1 | -96.6 | -179.7 | -15.9 | 0 | 0 | 115.5 | N59 | N59-Q61 PolarHBondContact O-N 2.84Š|
| 62 | E | 28.8 | Very low | 23.8 | Very low | 167 Ų | 167 | 155.4 Ų | 155.4 | 78% | 0.78 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -104.6 | -1 | -177.2 | -71.9 | -173.5 | 155.2 | 0 | 0 | 115.3 | N64 | E62-N64 PolarHBondContact O-N 3.45Š|
| 63 | Q | 27 | Very low | 23.6 | Very low | 183 Ų | 183 | 155.6 Ų | 155.6 | 86% | 0.855 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | -3.5 | -179.1 | -78.2 | -174.5 | -16.4 | 0 | 0 | 115.2 | ||
| 64 | N | 24.9 | Very low | 23.8 | Very low | 143 Ų | 143 | 155.7 Ų | 155.7 | 77% | 0.765 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | 8.2 | -172.8 | -80.6 | -23.9 | 0 | 0 | 0 | 115.8 | E62 | E62-N64 PolarHBondContact O-N 3.45Š|
| 65 | Y | 21.8 | Very low | 23.7 | Very low | 192 Ų | 192 | 157.1 Ų | 157.1 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | trans | -138.6 | 97.3 | -179.4 | -75.6 | -91 | 0 | 0 | 0 | 110.2 | ||||
| 66 | Q | 22.6 | Very low | 23.7 | Very low | 172 Ų | 172 | 155.8 Ų | 155.8 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | 167 | 89 | 149.2 | -91.8 | 158 | 39.9 | 0 | 0 | 111.9 | ||||
| 67 | V | 23.2 | Very low | 23.7 | Very low | 150 Ų | 150 | 156 Ų | 156 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | trans | -140.7 | 88.6 | 153.2 | -171.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 68 | P | 23.9 | Very low | 23.7 | Very low | 117 Ų | 117 | 157.3 Ų | 157.3 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | trans | -98.3 | 126.7 | 159.2 | 8.6 | 11.7 | 0 | 0 | 0 | 110.6 | ||||
| 69 | T | 23.4 | Very low | 23.8 | Very low | 131 Ų | 131 | 156.7 Ų | 156.7 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -41.7 | 132.2 | 170.9 | 31.6 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 70 | A | 22.6 | Very low | 23.7 | Very low | 108 Ų | 108 | 155.2 Ų | 155.2 | 89% | 0.893 | 80% | 0.798 | S | S | * | * | trans | -102.8 | 112.5 | 160.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 71 | Y | 21.8 | Very low | 23.6 | Very low | 218 Ų | 218 | 158.2 Ų | 158.2 | 86% | 0.855 | 80% | 0.803 | S | S | * | * | trans | -114.6 | 150.7 | 167 | -110 | -88.8 | 0 | 0 | 0 | 109.1 | ||||
| 72 | R | 22.4 | Very low | 23.5 | Very low | 231 Ų | 231 | 153.2 Ų | 153.2 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | trans | 92.2 | 101.1 | 174.5 | -65.8 | -172.5 | 174.5 | -168.8 | -0.1 | 117 | ||||
| 73 | N | 22.7 | Very low | 23.3 | Very low | 144 Ų | 144 | 156.5 Ų | 156.5 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | -173.6 | 111.8 | 113.9 | -95.5 | -22.1 | 0 | 0 | 0 | 107.2 | |||||
| 74 | Y | 23.9 | Very low | 23.1 | Very low | 221 Ų | 221 | 156.4 Ų | 156.4 | 87% | 0.867 | 81% | 0.809 | S | S | * | * | trans | -164.6 | 89.5 | 143.5 | -93.2 | -66 | 0 | 0 | 0 | 108 | ||||
| 75 | Q | 23.3 | Very low | 23.1 | Very low | 166 Ų | 166 | 152.4 Ų | 152.4 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | -60.9 | 131 | 154.9 | -87.2 | 168.9 | -37.7 | 0 | 0 | 108.7 | ||||
| 76 | I | 22.3 | Very low | 23.2 | Very low | 125 Ų | 125 | 148.3 Ų | 148.3 | 64% | 0.641 | 81% | 0.807 | S | S | * | * | trans | 50 | 92.5 | 130 | -47.7 | 170.6 | 0 | 0 | 0 | 115.2 | T78 | I76-T78 HydrophobicContact CG2-CG2 4.04Å; I76-T78 WeakPolarHBondContact CG2-OG1 3.38Å | ||
| 77 | C | 22.4 | Very low | 23.3 | Very low | 135 Ų | 135 | 145.6 Ų | 145.6 | 91% | 0.912 | 80% | 0.802 | S | S | * | * | trans | -113.8 | 70.2 | 142.4 | -72.9 | 0 | 0 | 0 | 0 | 108.1 | N79 | C77-N79 VanDerWaalsContact C-N 3.34Å; C77-N79 PolarHBondContact O-N 3.41Å | ||
| 78 | T | 22.6 | Very low | 23.4 | Very low | 108 Ų | 108 | 142.5 Ų | 142.5 | 66% | 0.663 | 79% | 0.785 | S | S | * | * | trans | -68.2 | 95.5 | 154.5 | 44.6 | 0 | 0 | 0 | 0 | 107.2 | I76 | I76-T78 HydrophobicContact CG2-CG2 4.04Å; I76-T78 WeakPolarHBondContact CG2-OG1 3.38Å | ||
| 79 | N | 23.8 | Very low | 23.5 | Very low | 147 Ų | 147 | 145.1 Ų | 145.1 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | trans | -166.9 | 120.9 | 148.9 | -95.7 | -20.9 | 0 | 0 | 0 | 109.5 | C77 | C77-N79 VanDerWaalsContact C-N 3.34Å; C77-N79 PolarHBondContact O-N 3.41Å | ||
| 80 | S | 23.3 | Very low | 23.5 | Very low | 99 Ų | 99 | 141 Ų | 141 | 69% | 0.692 | 76% | 0.759 | S | S | * | * | S | Bend | trans | 28.4 | 113.3 | 146.5 | 55.7 | 0 | 0 | 0 | 0 | 117.9 | ||
| 81 | Q | 23.7 | Very low | 23.6 | Very low | 199 Ų | 199 | 141 Ų | 141 | 93% | 0.93 | 75% | 0.75 | S | S | * | * | S | Bend | trans | 64.1 | 77.8 | 152.2 | -56.8 | -178.3 | -16 | 0 | 0 | 115.9 | ||
| 82 | G | 23.8 | Very low | 23.9 | Very low | 62 Ų | 62 | 137.8 Ų | 137.8 | 64% | 0.639 | 75% | 0.748 | S | S | * | * | trans | 160.8 | 137.5 | 162.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 83 | Y | 23.3 | Very low | 24 | Very low | 236 Ų | 236 | 130 Ų | 130 | 93% | 0.925 | 73% | 0.729 | S | S | * | * | trans | 77 | 77.5 | 163.3 | -62.9 | -85.7 | 0 | 0 | 0 | 118.1 | G85 | Y83-G85 PolarHBondContact O-N 3.22Š| ||
| 84 | N | 23.5 | Very low | 24.3 | Very low | 181 Ų | 181 | 125 Ų | 125 | 97% | 0.968 | 71% | 0.705 | S | S | * | * | trans | -71.6 | 100.8 | 149.1 | -77.3 | -32.7 | 0 | 0 | 0 | 109 | ||||
| 85 | G | 24 | Very low | 24.4 | Very low | 59 Ų | 59 | 118.9 Ų | 118.9 | 61% | 0.608 | 69% | 0.69 | S | S | * | * | trans | -178.7 | 56.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y83 V87 | Y83-G85 PolarHBondContact O-N 3.22Å; G85-V87 PolarHBondContact O-N 3.1Å; G85-V87 VanDerWaalsContact O-N 3.09Å | ||
| 86 | A | 24.6 | Very low | 24.6 | Very low | 106 Ų | 106 | 112.7 Ų | 112.7 | 88% | 0.876 | 67% | 0.671 | S | S | * | * | trans | -72.1 | 98.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 87 | V | 24.9 | Very low | 24.8 | Very low | 114 Ų | 114 | 112.7 Ų | 112.7 | 69% | 0.691 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 125.4 | 173.2 | -177.5 | 0 | 0 | 0 | 0 | 108.3 | G85 F89 | G85-V87 PolarHBondContact O-N 3.1Å; G85-V87 VanDerWaalsContact O-N 3.09Å; V87-F89 PolarHBondContact O-N 3.08Å |
| 88 | P | 25.8 | Very low | 25.1 | Very low | 86 Ų | 86 | 114.8 Ų | 114.8 | 56% | 0.558 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 128.5 | 175.5 | 24.8 | -30 | 0 | 0 | 0 | 110.2 | V90 | P88-V90 PolarHBondContact O-N 2.97Š|
| 89 | F | 24.7 | Very low | 25.3 | Very low | 172 Ų | 172 | 116.5 Ų | 116.5 | 75% | 0.754 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 124.1 | 174.7 | -91.1 | -104.6 | 0 | 0 | 0 | 110.4 | V87 | V87-F89 PolarHBondContact O-N 3.08Š|
| 90 | V | 24.2 | Very low | 25.4 | Very low | 45 Ų | 45 | 115 Ų | 115 | 27% | 0.273 | 67% | 0.667 | S | S | . | * | trans | -105.1 | 125.2 | 167.7 | 178.4 | 0 | 0 | 0 | 0 | 107.2 | P88 N92 S93 | P88-V90 PolarHBondContact O-N 2.97Å; V90-N92 PolarHBondContact O-N 3.43Å; V90-S93 VanDerWaalsContact CB-OG 3.23Å; V90-S93 WeakPolarHBondContact CB-OG 3.31Å; V90-S93 PolarHBondContact O-N 3.07Å; V90-S93 VanDerWaalsContact O-N 3.1Å | ||
| 91 | P | 24.1 | Very low | 25.5 | Very low | 108 Ų | 108 | 113 Ų | 113 | 70% | 0.701 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | 131 | 174.8 | -14.7 | 27.8 | 0 | 0 | 0 | 109.2 | S93 | P91-S93 PolarHBondContact O-N 3.39Š|
| 92 | N | 27.8 | Very low | 25.7 | Very low | 150 Ų | 150 | 105.3 Ų | 105.3 | 80% | 0.802 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 71.9 | 1 | -172.5 | -67.6 | -19.1 | 0 | 0 | 0 | 118.4 | V90 | V90-N92 PolarHBondContact O-N 3.43Š|
| 93 | S | 25.6 | Very low | 26 | Very low | 68 Ų | 68 | 105.4 Ų | 105.4 | 48% | 0.476 | 60% | 0.603 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -122.9 | 8.6 | -175.6 | 117.6 | 0 | 0 | 0 | 0 | 115.6 | V90 P91 V95 | V90-S93 VanDerWaalsContact CB-OG 3.23Å; V90-S93 WeakPolarHBondContact CB-OG 3.31Å; V90-S93 PolarHBondContact O-N 3.07Å; V90-S93 VanDerWaalsContact O-N 3.1Å; P91-S93 PolarHBondContact O-N 3.39Å; S93-V95 VanDerWaalsContact C-N 3.29Å; S93-V95 PolarHBondContact O-N 2.94Å |
| 94 | S | 29.2 | Very low | 26.2 | Very low | 38 Ų | 38 | 101.6 Ų | 101.6 | 27% | 0.266 | 59% | 0.587 | S | S | . | * | trans | -75.9 | 80.4 | 179.6 | 34.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 95 | V | 26.2 | Very low | 26.4 | Very low | 92 Ų | 92 | 95.8 Ų | 95.8 | 56% | 0.558 | 56% | 0.564 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -83.8 | 99.7 | 157.9 | -177.2 | 0 | 0 | 0 | 0 | 107.4 | S93 A102 Y103 | S93-V95 VanDerWaalsContact C-N 3.29Å; S93-V95 PolarHBondContact O-N 2.94Å; V95-A102 HydrophobicContact CG1-CB 3.31Å; V95-Y103 CarbonylContact C-O 3.54Å; V95-Y103 VanDerWaalsContact CA-O 3.27Å; V95-Y103 WeakPolarHBondContact CA-O 3.42Å |
| 96 | G | 27.4 | Very low | 26.5 | Very low | 36 Ų | 36 | 97.7 Ų | 97.7 | 37% | 0.371 | 56% | 0.558 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -76.2 | 125.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | Y103 | G96-Y103 PolarHBondContact N-O 3.28Å; G96-Y103 PolarHBondContact O-N 3.14Å |
| 97 | N | 26.8 | Very low | 26.7 | Very low | 126 Ų | 126 | 98.2 Ų | 98.2 | 67% | 0.674 | 55% | 0.552 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -93.6 | 113.9 | 171.4 | -168.1 | -17.8 | 0 | 0 | 0 | 108.8 | S100 V101 | N97-S100 VanDerWaalsContact OD1-CA 3.23Å; N97-S100 WeakPolarHBondContact OD1-CA 3.23Å; N97-S100 PolarHBondContact OD1-N 2.95Å; N97-S100 VanDerWaalsContact OD1-N 3.16Å; N97-V101 WeakPolarHBondContact CA-O 3.43Å |
| 98 | R | 27.7 | Very low | 26.8 | Very low | 179 Ų | 179 | 98 Ų | 98 | 68% | 0.675 | 55% | 0.554 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -127.8 | 125.3 | 170.4 | -165.8 | -176.6 | -172.4 | -165.2 | 2.1 | 107.3 | S100 V101 Y103 | R98-S100 VanDerWaalsContact C-N 3.28Å; R98-S100 PolarHBondContact O-N 3.25Å; R98-V101 PolarHBondContact N-O 2.69Å; R98-V101 VanDerWaalsContact N-O 3.08Å; R98-V101 PolarHBondContact O-N 2.8Å; R98-Y103 HydrophobicContact CB-CD2 4.17Å; R98-Y103 HydrophobicContact CB-CE2 3.9Å |
| 99 | N | 25.9 | Very low | 26.7 | Very low | 144 Ų | 144 | 105.4 Ų | 105.4 | 77% | 0.77 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 52.5 | 40.9 | -179.6 | -58 | -14.5 | 0 | 0 | 0 | 113.9 | V101 | N99-V101 PolarHBondContact O-N 2.57Š|
| 100 | S | 26.1 | Very low | 26.8 | Very low | 115 Ų | 115 | 105.9 Ų | 105.9 | 80% | 0.804 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 66.4 | 14.3 | -177.3 | -48.5 | 0 | 0 | 0 | 0 | 114.8 | N97 R98 | N97-S100 VanDerWaalsContact OD1-CA 3.23Å; N97-S100 WeakPolarHBondContact OD1-CA 3.23Å; N97-S100 PolarHBondContact OD1-N 2.95Å; N97-S100 VanDerWaalsContact OD1-N 3.16Å; R98-S100 VanDerWaalsContact C-N 3.28Å; R98-S100 PolarHBondContact O-N 3.25Å |
| 101 | V | 25.3 | Very low | 26.8 | Very low | 57 Ų | 57 | 111 Ų | 111 | 35% | 0.345 | 60% | 0.596 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.7 | 127.5 | 175.3 | -177.2 | 0 | 0 | 0 | 0 | 109.6 | N97 R98 N99 Y103 | N97-V101 WeakPolarHBondContact CA-O 3.43Å; R98-V101 PolarHBondContact N-O 2.69Å; R98-V101 VanDerWaalsContact N-O 3.08Å; R98-V101 PolarHBondContact O-N 2.8Å; N99-V101 PolarHBondContact O-N 2.57Å; V101-Y103 HydrophobicContact CB-CD2 4.43Å; V101-Y103 HydrophobicContact CB-CE2 3.74Å; V101-Y103 HydrophobicContact CG1-CD2 4.3Å; V101-Y103 HydrophobicContact CG1-CE1 4.22Å; V101-Y103 HydrophobicContact CG1-CE2 3.77Å; V101-Y103 VanDerWaalsContact O-CD2 3.27Å; V101-Y103 WeakPolarHBondContact O-CD2 3.29Å |
| 102 | A | 29.2 | Very low | 26.8 | Very low | 38 Ų | 38 | 113.7 Ų | 113.7 | 31% | 0.314 | 60% | 0.604 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.1 | 120.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | A43 V95 | A43-A102 HydrophobicContact CB-CB 4.24Å; A43-A102 PolarHBondContact N-O 2.89Å; V95-A102 HydrophobicContact CG1-CB 3.31Å |
| 103 | Y | 29.1 | Very low | 26.6 | Very low | 63 Ų | 63 | 115.2 Ų | 115.2 | 25% | 0.247 | 60% | 0.604 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.7 | 126.9 | 179.8 | -72 | -77.7 | 0 | 0 | 0 | 111.4 | W40 V95 G96 R98 V101 | W40-Y103 HydrophobicContact CB-CD1 3.69Å; W40-Y103 HydrophobicContact CB-CE1 3.76Å; W40-Y103 AromaticContact CD2-CD1 3.95Å; W40-Y103 HydrophobicContact CD2-CD1 3.95Å; W40-Y103 HydrophobicContact CD2-CE1 4.49Å; W40-Y103 HydrophobicContact CD2-CG 4.36Å; W40-Y103 VanDerWaalsContact CE3-CB 3.44Å; W40-Y103 AromaticContact CE3-CD1 3.56Å; W40-Y103 HydrophobicContact CE3-CD1 3.56Å; W40-Y103 HydrophobicContact CE3-CE1 4.5Å; W40-Y103 AromaticContact CE3-CG 3.68Å; W40-Y103 HydrophobicContact CE3-CG 3.68Å; W40-Y103 HydrophobicContact CG-CD1 4.07Å; W40-Y103 HydrophobicContact CG-CE1 4.25Å; W40-Y103 VanDerWaalsContact CZ3-CB 3.48Å; W40-Y103 HydrophobicContact CZ3-CD1 4.39Å; W40-Y103 HydrophobicContact CZ3-CG 4.06Å; V95-Y103 CarbonylContact C-O 3.54Å; V95-Y103 VanDerWaalsContact CA-O 3.27Å; V95-Y103 WeakPolarHBondContact CA-O 3.42Å; G96-Y103 PolarHBondContact N-O 3.28Å; G96-Y103 PolarHBondContact O-N 3.14Å; R98-Y103 HydrophobicContact CB-CD2 4.17Å; R98-Y103 HydrophobicContact CB-CE2 3.9Å; V101-Y103 HydrophobicContact CB-CD2 4.43Å; V101-Y103 HydrophobicContact CB-CE2 3.74Å; V101-Y103 HydrophobicContact CG1-CD2 4.3Å; V101-Y103 HydrophobicContact CG1-CE1 4.22Å; V101-Y103 HydrophobicContact CG1-CE2 3.77Å; V101-Y103 VanDerWaalsContact O-CD2 3.27Å; V101-Y103 WeakPolarHBondContact O-CD2 3.29Å |
| 104 | R | 27.7 | Very low | 26.5 | Very low | 157 Ų | 157 | 117.6 Ų | 117.6 | 59% | 0.592 | 62% | 0.621 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -94.2 | 133 | 175.9 | -165.9 | -179.1 | -166 | -159.7 | 3.5 | 110.5 | M106 | R104-M106 PolarHBondContact O-N 3.09Å |
| 105 | A | 27.8 | Very low | 26.1 | Very low | 58 Ų | 58 | 119.4 Ų | 119.4 | 48% | 0.479 | 65% | 0.646 | S | S | . | * | P | Polyproline II helix | trans | -71.2 | 123.8 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 106 | M | 27.3 | Very low | 26 | Very low | 100 Ų | 100 | 119.8 Ų | 119.8 | 49% | 0.493 | 65% | 0.652 | S | S | . | * | P | Polyproline II helix | trans | -99.5 | 139.9 | 168.5 | -71.3 | -151.1 | -82.2 | 0 | 0 | 109.8 | Q41 R104 | Q41-M106 HydrophobicContact CB-CE 4.43Å; Q41-M106 HydrophobicContact CG-CE 4.02Å; R104-M106 PolarHBondContact O-N 3.09Å |
| 107 | P | 27 | Very low | 25.7 | Very low | 116 Ų | 116 | 129.9 Ų | 129.9 | 75% | 0.753 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 142.7 | 170.5 | 26.2 | -31.5 | 0 | 0 | 0 | 109.6 | ||
| 108 | P | 27.6 | Very low | 25.4 | Very low | 111 Ų | 111 | 135.1 Ų | 135.1 | 72% | 0.721 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 146.4 | 173.7 | 25.2 | -32.2 | 0 | 0 | 0 | 110.2 | Q110 | P108-Q110 PolarHBondContact O-N 3.29Š|
| 109 | R | 25 | Very low | 25.1 | Very low | 241 Ų | 241 | 130.9 Ų | 130.9 | 91% | 0.909 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 128.2 | 172.4 | -77 | -173.4 | 173.9 | -169.7 | -1.7 | 108.7 | E111 | R109-E111 PolarHBondContact O-N 3.46Š|
| 110 | Q | 26.3 | Very low | 24.9 | Very low | 182 Ų | 182 | 132.3 Ų | 132.3 | 85% | 0.85 | 69% | 0.689 | S | S | * | * | trans | -63.5 | 102.6 | 171.9 | -86.3 | 179.6 | -13.3 | 0 | 0 | 108.9 | P108 | P108-Q110 PolarHBondContact O-N 3.29Š| ||
| 111 | E | 24.3 | Very low | 24.7 | Very low | 151 Ų | 151 | 130.7 Ų | 130.7 | 71% | 0.706 | 68% | 0.683 | S | S | * | * | trans | -87.3 | 136.4 | 156.9 | -73.7 | -179.1 | 172.6 | 0 | 0 | 108.2 | R109 F113 | R109-E111 PolarHBondContact O-N 3.46Å; E111-F113 HydrophobicContact CB-CD2 4.4Å; E111-F113 HydrophobicContact CB-CE2 3.95Å; E111-F113 VanDerWaalsContact O-CD2 3.27Å; E111-F113 WeakPolarHBondContact O-CD2 3.38Å; E111-F113 PolarHBondContact O-N 2.91Å | ||
| 112 | N | 23 | Very low | 24.6 | Very low | 166 Ų | 166 | 134.8 Ų | 134.8 | 89% | 0.888 | 71% | 0.708 | S | S | * | * | trans | -58.5 | 102.7 | -174.8 | -67.1 | -42.9 | 0 | 0 | 0 | 111.6 | ||||
| 113 | F | 24.7 | Very low | 24.3 | Very low | 182 Ų | 182 | 143.5 Ų | 143.5 | 80% | 0.798 | 73% | 0.733 | S | S | * | * | trans | -116.3 | 110.3 | 169.8 | -74.9 | -77.3 | 0 | 0 | 0 | 111.1 | E111 | E111-F113 HydrophobicContact CB-CD2 4.4Å; E111-F113 HydrophobicContact CB-CE2 3.95Å; E111-F113 VanDerWaalsContact O-CD2 3.27Å; E111-F113 WeakPolarHBondContact O-CD2 3.38Å; E111-F113 PolarHBondContact O-N 2.91Å | ||
| 114 | S | 22.6 | Very low | 24 | Very low | 117 Ų | 117 | 149.6 Ų | 149.6 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | trans | -64.6 | 157.8 | 173.2 | 50 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 115 | G | 21.7 | Very low | 23.8 | Very low | 77 Ų | 77 | 147.6 Ų | 147.6 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | trans | -56 | 147.9 | -157.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 116 | S | 22.5 | Very low | 23.5 | Very low | 99 Ų | 99 | 150.4 Ų | 150.4 | 69% | 0.692 | 78% | 0.782 | S | S | * | * | trans | 173.1 | 53.4 | 155.5 | 46.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 117 | W | 22.5 | Very low | 23.4 | Very low | 248 Ų | 248 | 157.9 Ų | 157.9 | 94% | 0.939 | 80% | 0.804 | S | S | * | * | trans | -136.9 | 73.8 | 169.8 | -73.7 | 89.4 | 0 | 0 | 0 | 112.1 | ||||
| 118 | R | 19.7 | Very low | 23 | Very low | 237 Ų | 237 | 155.7 Ų | 155.7 | 89% | 0.894 | 80% | 0.796 | S | S | * | * | trans | -100.3 | 141.2 | 155.6 | -76.1 | -174.5 | 174 | -144.1 | -0.6 | 108 | ||||
| 119 | S | 21.2 | Very low | 22.8 | Very low | 90 Ų | 90 | 158.1 Ų | 158.1 | 63% | 0.629 | 80% | 0.803 | S | S | * | * | trans | 75.1 | 120.8 | 167.9 | 75.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 120 | H | 22.9 | Very low | 22.7 | Very low | 173 Ų | 173 | 153.1 Ų | 153.1 | 80% | 0.801 | 80% | 0.799 | S | S | * | * | 175.4 | 113.1 | 121.9 | -81.4 | -58.8 | 0 | 0 | 0 | 109.5 | T122 | H120-T122 PolarHBondContact O-N 2.5Š| |||
| 121 | A | 21.1 | Very low | 22.4 | Very low | 82 Ų | 82 | 155.9 Ų | 155.9 | 68% | 0.678 | 80% | 0.802 | S | S | * | * | trans | -63.2 | 128.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | W123 | A121-W123 PolarHBondContact O-N 3.02Š| ||
| 122 | T | 24.3 | Very low | 22.4 | Very low | 142 Ų | 142 | 155.9 Ų | 155.9 | 87% | 0.871 | 81% | 0.806 | S | S | * | * | trans | -86.2 | 100.4 | 172.9 | -41.7 | 0 | 0 | 0 | 0 | 108.5 | H120 | H120-T122 PolarHBondContact O-N 2.5Š| ||
| 123 | W | 21.7 | Very low | 22.3 | Very low | 222 Ų | 222 | 152.6 Ų | 152.6 | 84% | 0.841 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 136.3 | 175.7 | -76.4 | 56.7 | 0 | 0 | 0 | 110.7 | A121 | A121-W123 PolarHBondContact O-N 3.02Š|
| 124 | F | 23 | Very low | 22.2 | Very low | 191 Ų | 191 | 149.2 Ų | 149.2 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 139 | 162.6 | -73.6 | -90.1 | 0 | 0 | 0 | 109 | P126 | F124-P126 WeakPolarHBondContact O-CD 3.46Å; F124-P126 VanDerWaalsContact O-N 3.15Å |
| 125 | P | 22.8 | Very low | 22.3 | Very low | 115 Ų | 115 | 152.8 Ų | 152.8 | 75% | 0.747 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -60 | 124.1 | 173.2 | 23.9 | -30.4 | 0 | 0 | 0 | 108.3 | R127 | P125-R127 PolarHBondContact O-N 3.46Š|
| 126 | P | 22.4 | Very low | 22.3 | Very low | 116 Ų | 116 | 158.1 Ų | 158.1 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 137.7 | 177.9 | 23.2 | -30.4 | 0 | 0 | 0 | 108.9 | F124 A128 | F124-P126 WeakPolarHBondContact O-CD 3.46Å; F124-P126 VanDerWaalsContact O-N 3.15Å; P126-A128 PolarHBondContact O-N 3.15Å |
| 127 | R | 24.2 | Very low | 22.3 | Very low | 257 Ų | 257 | 157 Ų | 157 | 97% | 0.97 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -57.8 | 93.8 | 177 | -73.9 | 179.6 | 172.1 | 172.4 | -0.2 | 110 | P125 | P125-R127 PolarHBondContact O-N 3.46Š|
| 128 | A | 20.4 | Very low | 22.3 | Very low | 70 Ų | 70 | 156.9 Ų | 156.9 | 58% | 0.579 | 79% | 0.794 | S | S | * | * | trans | -143.5 | 114.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | P126 | P126-A128 PolarHBondContact O-N 3.15Š| ||
| 129 | N | 22.4 | Very low | 22.6 | Very low | 162 Ų | 162 | 155.4 Ų | 155.4 | 87% | 0.866 | 80% | 0.797 | S | S | * | * | trans | 67.7 | 35.3 | 153.9 | -59.2 | -24.6 | 0 | 0 | 0 | 120.8 | R131 | N129-R131 PolarHBondContact O-N 3.09Š| ||
| 130 | V | 22.7 | Very low | 22.7 | Very low | 137 Ų | 137 | 155.6 Ų | 155.6 | 83% | 0.83 | 80% | 0.804 | S | S | * | * | trans | -87.9 | 93.2 | 160.7 | -172.6 | 0 | 0 | 0 | 0 | 109.7 | L132 | V130-L132 PolarHBondContact O-N 2.92Š| ||
| 131 | R | 21 | Very low | 23 | Very low | 239 Ų | 239 | 152.6 Ų | 152.6 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | trans | -64.2 | 111.2 | 165.7 | -72 | -179.6 | 174.4 | -177.6 | -1.7 | 108.2 | N129 | N129-R131 PolarHBondContact O-N 3.09Š| ||
| 132 | L | 22.8 | Very low | 23.1 | Very low | 151 Ų | 151 | 153.8 Ų | 153.8 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | trans | -65.6 | 127.1 | 167.5 | -81 | 156.6 | 0 | 0 | 0 | 108.5 | V130 V134 | V130-L132 PolarHBondContact O-N 2.92Å; L132-V134 PolarHBondContact O-N 2.94Å | ||
| 133 | P | 22.7 | Very low | 23 | Very low | 98 Ų | 98 | 154.6 Ų | 154.6 | 64% | 0.636 | 80% | 0.801 | S | S | * | * | trans | -65.1 | 120.9 | 176.9 | 25.4 | -30.3 | 0 | 0 | 0 | 109.2 | F135 | P133-F135 HydrophobicContact CB-CD2 4.19Å; P133-F135 HydrophobicContact CB-CE2 3.96Å; P133-F135 HydrophobicContact CG-CD2 4.45Å; P133-F135 HydrophobicContact CG-CE2 4.19Å; P133-F135 PolarHBondContact O-N 2.89Å | ||
| 134 | V | 21.1 | Very low | 23.2 | Very low | 111 Ų | 111 | 151.7 Ų | 151.7 | 67% | 0.673 | 80% | 0.802 | S | S | * | * | trans | -67.1 | 102.5 | 167.8 | -178.6 | 0 | 0 | 0 | 0 | 107.5 | L132 F136 | L132-V134 PolarHBondContact O-N 2.94Å; V134-F136 HydrophobicContact CB-CD2 4.5Å; V134-F136 HydrophobicContact CG1-CD2 3.23Å; V134-F136 HydrophobicContact CG1-CE2 3.23Å; V134-F136 HydrophobicContact CG1-CG 4.17Å; V134-F136 HydrophobicContact CG1-CZ 4.15Å | ||
| 135 | F | 24.6 | Very low | 23.1 | Very low | 191 Ų | 191 | 152 Ų | 152 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | trans | -94.6 | 91.4 | 162.8 | -81.6 | -82.2 | 0 | 0 | 0 | 109 | P133 | P133-F135 HydrophobicContact CB-CD2 4.19Å; P133-F135 HydrophobicContact CB-CE2 3.96Å; P133-F135 HydrophobicContact CG-CD2 4.45Å; P133-F135 HydrophobicContact CG-CE2 4.19Å; P133-F135 PolarHBondContact O-N 2.89Å | ||
| 136 | F | 21.7 | Very low | 23 | Very low | 190 Ų | 190 | 150.4 Ų | 150.4 | 83% | 0.833 | 80% | 0.796 | S | S | * | * | trans | -67.7 | 135.9 | 151.2 | -74.4 | -80.7 | 0 | 0 | 0 | 108.3 | V134 | V134-F136 HydrophobicContact CB-CD2 4.5Å; V134-F136 HydrophobicContact CG1-CD2 3.23Å; V134-F136 HydrophobicContact CG1-CE2 3.23Å; V134-F136 HydrophobicContact CG1-CG 4.17Å; V134-F136 HydrophobicContact CG1-CZ 4.15Å | ||
| 137 | G | 22.3 | Very low | 22.9 | Very low | 75 Ų | 75 | 154 Ų | 154 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | 161.9 | 76.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 138 | R | 23.2 | Very low | 22.8 | Very low | 246 Ų | 246 | 147.9 Ų | 147.9 | 93% | 0.928 | 78% | 0.782 | S | S | * | * | trans | 9.5 | 117.1 | 150.7 | -65.2 | 175.1 | 175.2 | -179.2 | -2.1 | 118.6 | ||||
| 139 | E | 25.3 | Very low | 22.9 | Very low | 205 Ų | 205 | 154.8 Ų | 154.8 | 96% | 0.958 | 80% | 0.795 | S | S | * | * | trans | -149.2 | 132.4 | 131 | -108.3 | 177.7 | -166.6 | 0 | 0 | 109.2 | ||||
| 140 | A | 23.8 | Very low | 22.9 | Very low | 94 Ų | 94 | 150.4 Ų | 150.4 | 78% | 0.777 | 79% | 0.788 | S | S | * | * | trans | -145.1 | 167.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 141 | P | 30.3 | Very low | 23 | Very low | 111 Ų | 111 | 150.8 Ų | 150.8 | 72% | 0.721 | 79% | 0.791 | S | S | * | * | cis | -133.5 | 161.8 | -25.5 | 32.4 | -14.4 | 0 | 0 | 0 | 112.6 | ||||
| 142 | A | 22.6 | Very low | 23 | Very low | 106 Ų | 106 | 144.3 Ų | 144.3 | 88% | 0.876 | 79% | 0.789 | S | S | * | * | trans | -114.5 | 108.9 | 150.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 143 | K | 22.7 | Very low | 23 | Very low | 159 Ų | 159 | 143.8 Ų | 143.8 | 69% | 0.691 | 79% | 0.791 | S | S | * | * | trans | -54.3 | 133 | -175.8 | -64.4 | 166.1 | 176.2 | 174.7 | 0 | 111.7 | ||||
| 144 | N | 24.7 | Very low | 23 | Very low | 161 Ų | 161 | 147.9 Ų | 147.9 | 86% | 0.861 | 80% | 0.799 | S | S | * | * | -173.7 | 126.6 | 113.8 | -83.8 | -27.3 | 0 | 0 | 0 | 110.5 | |||||
| 145 | Y | 21.9 | Very low | 23.1 | Very low | 197 Ų | 197 | 150.7 Ų | 150.7 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | trans | -76.2 | 153 | -167.4 | -69.3 | -105.8 | 0 | 0 | 0 | 113.5 | ||||
| 146 | A | 21.2 | Very low | 22.9 | Very low | 83 Ų | 83 | 148.8 Ų | 148.8 | 69% | 0.686 | 80% | 0.803 | S | S | * | * | 177 | 128.2 | 116.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 147 | Y | 20.4 | Very low | 22.9 | Very low | 190 Ų | 190 | 145.7 Ų | 145.7 | 75% | 0.745 | 80% | 0.802 | S | S | * | * | trans | -83.3 | 171.7 | 174.3 | -67 | -117.4 | 0 | 0 | 0 | 110.6 | ||||
| 148 | N | 21.9 | Very low | 22.9 | Very low | 129 Ų | 129 | 148.1 Ų | 148.1 | 69% | 0.69 | 80% | 0.802 | S | S | * | * | 175.3 | 140.8 | 58.6 | -103.5 | -22.2 | 0 | 0 | 0 | 110.7 | |||||
| 149 | Y | 21.3 | Very low | 22.7 | Very low | 215 Ų | 215 | 144.2 Ų | 144.2 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | trans | 39.9 | 144.7 | 138.4 | -62.4 | -93.7 | 0 | 0 | 0 | 127.9 | ||||
| 150 | G | 22.4 | Very low | 22.6 | Very low | 71 Ų | 71 | 140.7 Ų | 140.7 | 73% | 0.732 | 79% | 0.792 | S | S | * | * | trans | 93.2 | 133.5 | 149.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 151 | T | 24.9 | Very low | 22.4 | Very low | 144 Ų | 144 | 140.1 Ų | 140.1 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | cis | -165.4 | 154.4 | 20.1 | 32.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 152 | A | 20.5 | Very low | 22 | Very low | 104 Ų | 104 | 142.3 Ų | 142.3 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | trans | -76.6 | 143.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 153 | V | 23.2 | Very low | 21.9 | Very low | 139 Ų | 139 | 143 Ų | 143 | 84% | 0.842 | 79% | 0.79 | S | S | * | * | trans | -131.1 | 134.4 | 165.4 | -176.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 154 | K | 23.3 | Very low | 21.8 | Very low | 185 Ų | 185 | 140 Ų | 140 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 134 | -175.7 | -168.7 | 179.3 | -179.7 | -171 | 0 | 112.3 | ||
| 155 | L | 22.5 | Very low | 21.8 | Very low | 169 Ų | 169 | 138.5 Ų | 138.5 | 89% | 0.885 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 118.7 | 169.3 | -96.7 | 147.2 | 0 | 0 | 0 | 108.7 | ||
| 156 | E | 21.2 | Very low | 21.8 | Very low | 151 Ų | 151 | 134.2 Ų | 134.2 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 143.3 | 160.1 | -76 | -154.5 | 149.2 | 0 | 0 | 110.1 | ||
| 157 | P | 22.2 | Very low | 21.9 | Very low | 126 Ų | 126 | 137.4 Ų | 137.4 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 129.8 | 172.1 | 33 | -27.3 | 0 | 0 | 0 | 109.3 | ||
| 158 | T | 22.2 | Very low | 22 | Very low | 126 Ų | 126 | 135 Ų | 135 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | -122.5 | 107.9 | 170.3 | -32.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 159 | D | 19.3 | Very low | 21.9 | Very low | 163 Ų | 163 | 135.3 Ų | 135.3 | 87% | 0.872 | 80% | 0.798 | S | S | * | * | trans | -65.6 | 125.4 | 164.8 | -80.5 | -43.9 | 0 | 0 | 0 | 109.9 | ||||
| 160 | V | 22 | Very low | 22 | Very low | 131 Ų | 131 | 132 Ų | 132 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | trans | -150.7 | 107.4 | 154 | -173.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 161 | A | 20 | Very low | 21.9 | Very low | 83 Ų | 83 | 139.5 Ų | 139.5 | 69% | 0.686 | 80% | 0.801 | S | S | * | * | trans | 26.2 | 122.4 | 139.2 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 162 | I | 20.8 | Very low | 21.9 | Very low | 156 Ų | 156 | 139.3 Ų | 139.3 | 80% | 0.8 | 80% | 0.8 | S | S | * | * | 26.9 | 117.4 | 122.4 | -47.9 | 168.6 | 0 | 0 | 0 | 117.7 | |||||
| 163 | S | 20.6 | Very low | 22 | Very low | 120 Ų | 120 | 141.3 Ų | 141.3 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | trans | -141.4 | 112.1 | 140.1 | 60.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 164 | S | 21.1 | Very low | 22 | Very low | 98 Ų | 98 | 143.4 Ų | 143.4 | 69% | 0.685 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 136 | 168.5 | -26.1 | 0 | 0 | 0 | 0 | 108.1 | ||
| 165 | P | 24.3 | Very low | 22 | Very low | 129 Ų | 129 | 138.5 Ų | 138.5 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 116.2 | 156.2 | 24 | -11.4 | 0 | 0 | 0 | 109.9 | ||
| 166 | S | 21.9 | Very low | 22 | Very low | 106 Ų | 106 | 138 Ų | 138 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -68 | 131 | 168 | -42.2 | 0 | 0 | 0 | 0 | 110.8 | ||
| 167 | V | 24.4 | Very low | 22.1 | Very low | 150 Ų | 150 | 136.5 Ų | 136.5 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | trans | -149.1 | 130.1 | 143.2 | -174.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 168 | L | 21.4 | Very low | 22.1 | Very low | 139 Ų | 139 | 137.2 Ų | 137.2 | 73% | 0.728 | 80% | 0.797 | S | S | * | * | trans | -82.2 | 150.9 | -172 | -80.1 | 150.6 | 0 | 0 | 0 | 113.9 | ||||
| 169 | L | 21.4 | Very low | 22.1 | Very low | 136 Ų | 136 | 142.2 Ų | 142.2 | 71% | 0.712 | 80% | 0.802 | S | S | * | * | trans | 63.5 | 132.9 | 134.6 | -62.1 | 170.7 | 0 | 0 | 0 | 118.3 | ||||
| 170 | N | 23.1 | Very low | 22.2 | Very low | 145 Ų | 145 | 140.6 Ų | 140.6 | 78% | 0.775 | 80% | 0.798 | S | S | * | * | -165.6 | 150 | 50.9 | -100.6 | -36.5 | 0 | 0 | 0 | 111.8 | |||||
| 171 | R | 20.5 | Very low | 22.2 | Very low | 229 Ų | 229 | 138.8 Ų | 138.8 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | trans | -59 | 146.7 | 157.1 | -73.1 | 174.2 | 164 | 168.8 | -6 | 110.6 | ||||
| 172 | T | 24.8 | Very low | 22.2 | Very low | 141 Ų | 141 | 143.4 Ų | 143.4 | 87% | 0.865 | 81% | 0.809 | S | S | * | * | -168.1 | 133.6 | 129.4 | 17.2 | 0 | 0 | 0 | 0 | 111 | |||||
| 173 | D | 22.3 | Very low | 22.3 | Very low | 146 Ų | 146 | 138.6 Ų | 138.6 | 78% | 0.781 | 80% | 0.798 | S | S | * | * | trans | -63.1 | 174.7 | 170.3 | -63.5 | -68 | 0 | 0 | 0 | 113.3 | ||||
| 174 | E | 23.7 | Very low | 22.4 | Very low | 182 Ų | 182 | 138.8 Ų | 138.8 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | trans | 86 | 107.2 | 157.3 | -67.3 | -174.6 | 157 | 0 | 0 | 119.3 | ||||
| 175 | A | 22.2 | Very low | 22.5 | Very low | 82 Ų | 82 | 139.7 Ų | 139.7 | 68% | 0.678 | 81% | 0.806 | S | S | * | * | 53.3 | 128.9 | 117.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 176 | N | 22.7 | Very low | 22.5 | Very low | 160 Ų | 160 | 142.2 Ų | 142.2 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | trans | 67.2 | 89.2 | 154.1 | -61.7 | -20.7 | 0 | 0 | 0 | 117.1 | ||||
| 177 | S | 23.5 | Very low | 22.6 | Very low | 119 Ų | 119 | 142.8 Ų | 142.8 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | -171.3 | 116.7 | 128.7 | -160.6 | 0 | 0 | 0 | 0 | 112.2 | R179 | S177-R179 PolarHBondContact O-N 2.78Š| |||
| 178 | T | 22.1 | Very low | 22.6 | Very low | 140 Ų | 140 | 138.3 Ų | 138.3 | 86% | 0.859 | 79% | 0.79 | S | S | * | * | trans | -72 | 109.6 | 163.4 | 14.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 179 | R | 22.2 | Very low | 22.7 | Very low | 231 Ų | 231 | 136.4 Ų | 136.4 | 87% | 0.872 | 78% | 0.78 | S | S | * | * | trans | -175.7 | 118.7 | 146.8 | -114.2 | 172.1 | 162.5 | -174.3 | -5.2 | 112.4 | S177 | S177-R179 PolarHBondContact O-N 2.78Š| ||
| 180 | T | 21.2 | Very low | 22.9 | Very low | 129 Ų | 129 | 138.2 Ų | 138.2 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | trans | 41.2 | 98.2 | 142.2 | -31 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 181 | A | 21.7 | Very low | 23.1 | Very low | 94 Ų | 94 | 136.1 Ų | 136.1 | 78% | 0.777 | 79% | 0.786 | S | S | * | * | trans | -134.5 | 109 | 152 | 0 | 0 | 0 | 0 | 0 | 109.2 | G183 | A181-G183 PolarHBondContact O-N 2.78Š| ||
| 182 | L | 20.8 | Very low | 23.3 | Very low | 179 Ų | 179 | 131.6 Ų | 131.6 | 94% | 0.937 | 78% | 0.779 | S | S | * | * | trans | -58.7 | 89.8 | 147.5 | -91.6 | 94.6 | 0 | 0 | 0 | 106.2 | ||||
| 183 | G | 21.9 | Very low | 23.4 | Very low | 55 Ų | 55 | 135.4 Ų | 135.4 | 57% | 0.567 | 78% | 0.778 | S | S | * | * | trans | -111 | 93.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | A181 S185 | A181-G183 PolarHBondContact O-N 2.78Å; G183-S185 PolarHBondContact O-N 3.14Å | ||
| 184 | S | 22.6 | Very low | 23.6 | Very low | 124 Ų | 124 | 132.2 Ų | 132.2 | 87% | 0.867 | 77% | 0.767 | S | S | * | * | trans | -40.2 | 101 | 157.3 | 50.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 185 | S | 23.9 | Very low | 23.7 | Very low | 117 Ų | 117 | 132.2 Ų | 132.2 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -112.8 | 110.8 | 166 | -155.3 | 0 | 0 | 0 | 0 | 107.9 | G183 V187 | G183-S185 PolarHBondContact O-N 3.14Å; S185-V187 PolarHBondContact O-N 2.99Å | ||
| 186 | Q | 23.6 | Very low | 24 | Very low | 182 Ų | 182 | 136 Ų | 136 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | trans | -45.8 | 114.1 | -167.6 | -70.7 | 158.8 | -24.8 | 0 | 0 | 111.8 | G188 | Q186-G188 VanDerWaalsContact C-N 3.31Å; Q186-G188 PolarHBondContact O-N 2.79Å | ||
| 187 | V | 24.3 | Very low | 24.2 | Very low | 118 Ų | 118 | 131.3 Ų | 131.3 | 72% | 0.715 | 76% | 0.761 | S | S | * | * | trans | -54.3 | 107.1 | 147.3 | -170.3 | 0 | 0 | 0 | 0 | 104.6 | S185 N189 | S185-V187 PolarHBondContact O-N 2.99Å; V187-N189 PolarHBondContact O-N 3.29Å | ||
| 188 | G | 24.8 | Very low | 24.3 | Very low | 57 Ų | 57 | 135.3 Ų | 135.3 | 59% | 0.588 | 76% | 0.763 | S | S | * | * | trans | -46 | 111.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 108 | Q186 L190 | Q186-G188 VanDerWaalsContact C-N 3.31Å; Q186-G188 PolarHBondContact O-N 2.79Å; G188-L190 PolarHBondContact O-N 2.81Å | ||
| 189 | N | 23.9 | Very low | 24.6 | Very low | 99 Ų | 99 | 134.1 Ų | 134.1 | 53% | 0.529 | 76% | 0.758 | S | S | . | * | trans | -63.5 | 82.7 | -173.4 | -169.4 | -6.5 | 0 | 0 | 0 | 108.5 | V187 S191 | V187-N189 PolarHBondContact O-N 3.29Å; N189-S191 PolarHBondContact O-N 3.48Å; N189-S191 VanDerWaalsContact O-N 3.09Å; N189-S191 WeakPolarHBondContact OD1-CA 3.38Å; N189-S191 VanDerWaalsContact OD1-CB 3.31Å; N189-S191 WeakPolarHBondContact OD1-CB 2.9Å; N189-S191 PolarHBondContact OD1-N 2.8Å; N189-S191 PolarHBondContact OD1-OG 2.8Å | ||
| 190 | L | 25.8 | Very low | 24.9 | Very low | 173 Ų | 173 | 132.2 Ų | 132.2 | 91% | 0.906 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | 2.4 | 169.2 | -72.6 | 173.6 | 0 | 0 | 0 | 111.5 | G188 | G188-L190 PolarHBondContact O-N 2.81Š|
| 191 | S | 25.7 | Very low | 25.1 | Very low | 101 Ų | 101 | 133.5 Ų | 133.5 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | 19.8 | 178.7 | 27.1 | 0 | 0 | 0 | 0 | 114.8 | N189 | N189-S191 PolarHBondContact O-N 3.48Å; N189-S191 VanDerWaalsContact O-N 3.09Å; N189-S191 WeakPolarHBondContact OD1-CA 3.38Å; N189-S191 VanDerWaalsContact OD1-CB 3.31Å; N189-S191 WeakPolarHBondContact OD1-CB 2.9Å; N189-S191 PolarHBondContact OD1-N 2.8Å; N189-S191 PolarHBondContact OD1-OG 2.8Å |
| 192 | N | 25.6 | Very low | 25.3 | Very low | 135 Ų | 135 | 138.7 Ų | 138.7 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | trans | -130.2 | 33.8 | 175.1 | -124.5 | 1.6 | 0 | 0 | 0 | 115.6 | S194 | N192-S194 PolarHBondContact O-N 3.36Š| ||
| 193 | R | 27.8 | Very low | 25.8 | Very low | 220 Ų | 220 | 132.3 Ų | 132.3 | 83% | 0.83 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -80.8 | 107.2 | 163.2 | -147.7 | 176.9 | -161.5 | -172.6 | 4.6 | 108.1 | L195 | R193-L195 PolarHBondContact O-N 3.32Š|
| 194 | S | 24.9 | Very low | 26.7 | Very low | 79 Ų | 79 | 132.3 Ų | 132.3 | 55% | 0.552 | 73% | 0.731 | S | S | * | * | trans | -28.5 | 122.5 | -178.1 | 66.9 | 0 | 0 | 0 | 0 | 113.5 | N192 N196 S197 | N192-S194 PolarHBondContact O-N 3.36Å; S194-N196 PolarHBondContact O-N 3.17Å; S194-S197 PolarHBondContact O-N 2.89Å | ||
| 195 | L | 26.8 | Very low | 27.9 | Very low | 182 Ų | 182 | 134.7 Ų | 134.7 | 95% | 0.953 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.9 | 10.6 | 178.4 | -78.8 | 155.3 | 0 | 0 | 0 | 115.6 | R193 | R193-L195 PolarHBondContact O-N 3.32Š|
| 196 | N | 28 | Very low | 29.2 | Very low | 161 Ų | 161 | 133.9 Ų | 133.9 | 86% | 0.861 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.9 | 2.9 | 178.5 | -79.2 | -18.3 | 0 | 0 | 0 | 114.8 | S194 | S194-N196 PolarHBondContact O-N 3.17Š|
| 197 | S | 26.6 | Very low | 30.8 | Very low | 63 Ų | 63 | 125.3 Ų | 125.3 | 44% | 0.441 | 67% | 0.666 | S | S | . | * | S | Bend | trans | -97.9 | 114.9 | 171.6 | 65.9 | 0 | 0 | 0 | 0 | 110.8 | S194 P199 | S194-S197 PolarHBondContact O-N 2.89Å; S197-P199 WeakPolarHBondContact O-CD 3.45Å |
| 198 | K | 26.8 | Very low | 32.4 | Very low | 202 Ų | 202 | 121.7 Ų | 121.7 | 88% | 0.878 | 65% | 0.646 | S | S | * | * | trans | -49.4 | 115.9 | 170.8 | -73 | -178.5 | 178.8 | 177.9 | 0 | 109 | K200 | K198-K200 PolarHBondContact O-N 3.5Š| ||
| 199 | P | 27.9 | Very low | 33.8 | Very low | 116 Ų | 116 | 123.6 Ų | 123.6 | 75% | 0.753 | 64% | 0.642 | S | S | * | * | trans | -67.5 | 112.2 | -174.6 | 24.9 | -31 | 0 | 0 | 0 | 109.1 | S197 N201 | S197-P199 WeakPolarHBondContact O-CD 3.45Å; P199-N201 VanDerWaalsContact C-N 3.27Å; P199-N201 PolarHBondContact O-N 3.46Å | ||
| 200 | K | 27.8 | Very low | 35.4 | Very low | 190 Ų | 190 | 119.6 Ų | 119.6 | 83% | 0.826 | 62% | 0.622 | S | S | * | * | trans | -66.7 | 93.2 | 162.4 | -80.8 | -176.1 | 177.4 | 177.9 | 0 | 107.6 | K198 Y202 | K198-K200 PolarHBondContact O-N 3.5Å; K200-Y202 VanDerWaalsContact C-N 3.34Å; K200-Y202 WeakPolarHBondContact O-CD2 3.45Å; K200-Y202 PolarHBondContact O-N 3.17Å | ||
| 201 | N | 26.3 | Very low | 36.6 | Very low | 156 Ų | 156 | 117.9 Ų | 117.9 | 83% | 0.834 | 62% | 0.621 | S | S | * | * | S | Bend | trans | 11 | 57.5 | 154.6 | -67.9 | -27.2 | 0 | 0 | 0 | 119.4 | P199 | P199-N201 VanDerWaalsContact C-N 3.27Å; P199-N201 PolarHBondContact O-N 3.46Å |
| 202 | Y | 25.6 | Very low | 38.2 | Very low | 203 Ų | 203 | 116.5 Ų | 116.5 | 80% | 0.796 | 61% | 0.605 | S | S | * | * | trans | -125.6 | 24 | 167.4 | -76.9 | -82.1 | 0 | 0 | 0 | 113.1 | K200 A204 | K200-Y202 VanDerWaalsContact C-N 3.34Å; K200-Y202 WeakPolarHBondContact O-CD2 3.45Å; K200-Y202 PolarHBondContact O-N 3.17Å; Y202-A204 PolarHBondContact O-N 2.84Å | ||
| 203 | G | 31.8 | Very low | 39.5 | Very low | 45 Ų | 45 | 111.2 Ų | 111.2 | 46% | 0.464 | 58% | 0.583 | S | S | . | * | S | Bend | trans | -67.3 | 119.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | K205 | G203-K205 PolarHBondContact O-N 3Š|
| 204 | A | 41.4 | Very low | 40.7 | Very low | 56 Ų | 56 | 109 Ų | 109 | 46% | 0.463 | 58% | 0.575 | S | S | . | * | trans | -34.3 | 106 | 177 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y202 Y206 G207 | Y202-A204 PolarHBondContact O-N 2.84Å; A204-Y206 PolarHBondContact O-N 2.88Å; A204-G207 WeakPolarHBondContact CB-O 3.41Å; A204-G207 PolarHBondContact O-N 3.01Å; A204-G207 VanDerWaalsContact O-N 3.14Å; A204-G207 VanDerWaalsContact O-O 3.05Å | ||
| 205 | K | 47 | Very low | 42.3 | Very low | 173 Ų | 173 | 108 Ų | 108 | 75% | 0.752 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.6 | -16.8 | -166.2 | -79.4 | -176 | 176.4 | 178.9 | 0 | 114 | G203 | G203-K205 PolarHBondContact O-N 3Š|
| 206 | Y | 50.6 | Low | 44 | Very low | 100 Ų | 100 | 99.8 Ų | 99.8 | 39% | 0.392 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | -12.8 | -170.3 | -58.8 | -66 | 0 | 0 | 0 | 114.1 | A204 C218 R219 F235 L239 F244 | A204-Y206 PolarHBondContact O-N 2.88Å; Y206-C218 CarbonylContact O-C 3.46Å; Y206-C218 WeakPolarHBondContact O-CA 3.19Å; Y206-C218 PolarHBondContact O-SG 2.95Å; Y206-C218 VanDerWaalsContact O-SG 3.36Å; Y206-R219 PolarHBondContact O-N 3.4Å; Y206-F235 WeakPolarHBondContact O-CZ 3.12Å; Y206-L239 VanDerWaalsContact CB-CD1 3.47Å; Y206-L239 HydrophobicContact CD2-CD1 4.11Å; Y206-L239 HydrophobicContact CG-CD1 3.81Å; Y206-L239 HydrophobicContact CG-CD2 4.29Å; Y206-F244 HydrophobicContact CD1-CE1 4.13Å; Y206-F244 AromaticContact CD1-CZ 3.81Å; Y206-F244 HydrophobicContact CD1-CZ 3.81Å; Y206-F244 HydrophobicContact CD2-CZ 4.46Å; Y206-F244 AromaticContact CE1-CE1 3.48Å; Y206-F244 HydrophobicContact CE1-CE1 3.48Å; Y206-F244 VanDerWaalsContact CE1-CE1 3.48Å; Y206-F244 AromaticContact CE1-CZ 3.41Å; Y206-F244 HydrophobicContact CE1-CZ 3.41Å; Y206-F244 VanDerWaalsContact CE1-CZ 3.41Å; Y206-F244 HydrophobicContact CE2-CZ 4.1Å; Y206-F244 HydrophobicContact CG-CZ 4.32Å; Y206-F244 AromaticContact CZ-CE1 3.87Å; Y206-F244 AromaticContact CZ-CZ 3.56Å |
| 207 | G | 57.7 | Low | 45.5 | Very low | 2 Ų | 2 | 94.6 Ų | 94.6 | 2% | 0.021 | 49% | 0.49 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.1 | 174.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | A204 I217 | A204-G207 WeakPolarHBondContact CB-O 3.41Å; A204-G207 PolarHBondContact O-N 3.01Å; A204-G207 VanDerWaalsContact O-N 3.14Å; A204-G207 VanDerWaalsContact O-O 3.05Å; G207-I217 CarbonylContact C-O 3.57Å; G207-I217 VanDerWaalsContact C-O 3.3Å; G207-I217 WeakPolarHBondContact CA-O 3.36Å |
| 208 | S | 57.2 | Low | 47.2 | Very low | 43 Ų | 43 | 91.6 Ų | 91.6 | 30% | 0.301 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 127 | 174.5 | 47.2 | 0 | 0 | 0 | 0 | 110.3 | I217 | S208-I217 PolarHBondContact N-O 3.15Å; S208-I217 PolarHBondContact O-N 2.86Å |
| 209 | L | 53.8 | Low | 48.7 | Very low | 96 Ų | 96 | 88.8 Ų | 88.8 | 50% | 0.503 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 137.3 | 172.8 | -167.7 | 75.1 | 0 | 0 | 0 | 109.6 | H215 M216 L227 | L209-H215 WeakPolarHBondContact CA-O 3.42Å; L209-H215 WeakPolarHBondContact CD1-O 3.27Å; L209-M216 HydrophobicContact CB-CE 4.19Å; L209-M216 HydrophobicContact CD1-CE 3.69Å; L209-L227 HydrophobicContact CD1-CD1 3.48Å; L209-L227 VanDerWaalsContact CD1-CD1 3.48Å |
| 210 | T | 58.1 | Low | 50 | Low | 16 Ų | 16 | 86.7 Ų | 86.7 | 10% | 0.098 | 44% | 0.44 | C | S | . | . | trans | -71.6 | 157.4 | 173.6 | 44.7 | 0 | 0 | 0 | 0 | 111.4 | D212 G213 H215 I217 | T210-D212 VanDerWaalsContact CB-OD1 3.23Å; T210-D212 WeakPolarHBondContact CB-OD1 3.3Å; T210-D212 PolarHBondContact O-N 3.17Å; T210-D212 VanDerWaalsContact O-N 3.15Å; T210-D212 PolarHBondContact OG1-OD1 3.4Å; T210-G213 PolarHBondContact O-N 2.73Å; T210-H215 HydrophobicContact CG2-CB 3.83Å; T210-H215 PolarHBondContact N-O 3.48Å; T210-H215 WeakPolarHBondContact OG1-CA 3.39Å; T210-H215 VanDerWaalsContact OG1-CB 3.29Å; T210-H215 WeakPolarHBondContact OG1-CB 3.44Å; T210-H215 PolarHBondContact OG1-N 3.32Å; T210-H215 VanDerWaalsContact OG1-N 3.09Å; T210-H215 PolarHBondContact OG1-O 3.09Å; T210-I217 HydrophobicContact CG2-CD1 4.01Å; T210-I217 HydrophobicContact CG2-CG1 3.92Å | ||
| 211 | P | 52.1 | Low | 51.5 | Low | 137 Ų | 137 | 79.8 Ų | 79.8 | 89% | 0.89 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -25.9 | -179.9 | -25.4 | 34.8 | 0 | 0 | 0 | 114.4 | G213 | P211-G213 VanDerWaalsContact C-N 3.26Å; P211-G213 PolarHBondContact O-N 2.77Å |
| 212 | D | 57.9 | Low | 52.8 | Low | 72 Ų | 72 | 78.3 Ų | 78.3 | 39% | 0.385 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -7.4 | 176.5 | 67.8 | -3.4 | 0 | 0 | 0 | 113.5 | T210 R214 H215 | T210-D212 VanDerWaalsContact CB-OD1 3.23Å; T210-D212 WeakPolarHBondContact CB-OD1 3.3Å; T210-D212 PolarHBondContact O-N 3.17Å; T210-D212 VanDerWaalsContact O-N 3.15Å; T210-D212 PolarHBondContact OG1-OD1 3.4Å; D212-R214 PolarHBondContact O-N 3.26Å; D212-R214 VanDerWaalsContact O-N 3.09Å; D212-R214 PolarHBondContact OD1-N 2.93Å; D212-H215 IonicContact OD1-ND1 2.99Å; D212-H215 PolarHBondContact OD1-ND1 3.25Å; D212-H215 IonicContact OD2-CE1 3.29Å; D212-H215 PolarHBondContact OD2-CE1 2.85Å; D212-H215 VanDerWaalsContact OD2-CE1 3.29Å; D212-H215 IonicContact OD2-ND1 3.46Å; D212-H215 PolarHBondContact OD2-ND1 2.88Å |
| 213 | G | 52.7 | Low | 54.2 | Low | 24 Ų | 24 | 70.8 Ų | 70.8 | 25% | 0.247 | 38% | 0.384 | C | S | . | . | S | Bend | trans | 67.8 | 0.1 | -177 | 0 | 0 | 0 | 0 | 0 | 115 | T210 P211 | T210-G213 PolarHBondContact O-N 2.73Å; P211-G213 VanDerWaalsContact C-N 3.26Å; P211-G213 PolarHBondContact O-N 2.77Å |
| 214 | R | 54.6 | Low | 55.6 | Low | 174 Ų | 174 | 72.5 Ų | 72.5 | 66% | 0.657 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -95.9 | -8.7 | -172.9 | -67.3 | 175.9 | -177 | -161.7 | -1.4 | 113.2 | D212 L227 | D212-R214 PolarHBondContact O-N 3.26Å; D212-R214 VanDerWaalsContact O-N 3.09Å; D212-R214 PolarHBondContact OD1-N 2.93Å; R214-L227 PolarHBondContact O-N 3.13Å |
| 215 | H | 58.6 | Low | 56.5 | Low | 57 Ų | 57 | 70.7 Ų | 70.7 | 26% | 0.264 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 156 | -177.9 | -46.2 | 82.4 | 0 | 0 | 0 | 112.2 | L209 T210 D212 C224 V225 | L209-H215 WeakPolarHBondContact CA-O 3.42Å; L209-H215 WeakPolarHBondContact CD1-O 3.27Å; T210-H215 HydrophobicContact CG2-CB 3.83Å; T210-H215 PolarHBondContact N-O 3.48Å; T210-H215 WeakPolarHBondContact OG1-CA 3.39Å; T210-H215 VanDerWaalsContact OG1-CB 3.29Å; T210-H215 WeakPolarHBondContact OG1-CB 3.44Å; T210-H215 PolarHBondContact OG1-N 3.32Å; T210-H215 VanDerWaalsContact OG1-N 3.09Å; T210-H215 PolarHBondContact OG1-O 3.09Å; D212-H215 IonicContact OD1-ND1 2.99Å; D212-H215 PolarHBondContact OD1-ND1 3.25Å; D212-H215 IonicContact OD2-CE1 3.29Å; D212-H215 PolarHBondContact OD2-CE1 2.85Å; D212-H215 VanDerWaalsContact OD2-CE1 3.29Å; D212-H215 IonicContact OD2-ND1 3.46Å; D212-H215 PolarHBondContact OD2-ND1 2.88Å; H215-C224 WeakPolarHBondContact CB-SG 3.39Å; H215-V225 CarbonylContact C-O 3.52Å; H215-V225 WeakPolarHBondContact CA-O 3.26Å |
| 216 | M | 60.9 | Low | 57.1 | Low | 10 Ų | 10 | 65 Ų | 65 | 5% | 0.049 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 122.3 | 170 | -164.9 | 156.1 | -65.6 | 0 | 0 | 110.5 | L209 C218 V225 L227 F232 F235 | L209-M216 HydrophobicContact CB-CE 4.19Å; L209-M216 HydrophobicContact CD1-CE 3.69Å; M216-C218 PolarHBondContact O-N 3.34Å; M216-V225 PolarHBondContact N-O 3.48Å; M216-V225 PolarHBondContact O-N 2.86Å; M216-L227 HydrophobicContact CB-CD1 4.25Å; M216-L227 HydrophobicContact CB-CD2 4.36Å; M216-L227 HydrophobicContact CB-CG 4.46Å; M216-L227 HydrophobicContact CE-CD1 4.1Å; M216-F232 HydrophobicContact CE-CD2 3.6Å; M216-F232 HydrophobicContact CE-CE2 3.1Å; M216-F232 HydrophobicContact CE-CZ 4.03Å; M216-F232 HydrophobicContact SD-CD2 4.05Å; M216-F232 HydrophobicContact SD-CE2 3.27Å; M216-F232 WeakPolarHBondContact SD-CE2 3.32Å; M216-F232 HydrophobicContact SD-CZ 3.57Å; M216-F232 VanDerWaalsContact SD-CZ 3.57Å; M216-F235 HydrophobicContact CB-CB 4.34Å; M216-F235 HydrophobicContact CB-CD2 3.6Å; M216-F235 HydrophobicContact CB-CE2 4.04Å; M216-F235 HydrophobicContact CB-CG 4Å; M216-F235 HydrophobicContact CG-CD1 4.2Å; M216-F235 HydrophobicContact CG-CD2 3.5Å; M216-F235 VanDerWaalsContact CG-CD2 3.5Å; M216-F235 HydrophobicContact CG-CE1 4.15Å; M216-F235 HydrophobicContact CG-CE2 3.48Å; M216-F235 VanDerWaalsContact CG-CE2 3.48Å; M216-F235 HydrophobicContact CG-CG 3.86Å; M216-F235 HydrophobicContact CG-CZ 3.81Å; M216-F235 HydrophobicContact SD-CB 4.14Å; M216-F235 HydrophobicContact SD-CD1 3.24Å; M216-F235 WeakPolarHBondContact SD-CD1 3.39Å; M216-F235 HydrophobicContact SD-CD2 3.68Å; M216-F235 HydrophobicContact SD-CE1 3.32Å; M216-F235 WeakPolarHBondContact SD-CE1 3.32Å; M216-F235 HydrophobicContact SD-CE2 3.79Å; M216-F235 HydrophobicContact SD-CG 3.39Å; M216-F235 WeakPolarHBondContact SD-CG 3.24Å; M216-F235 HydrophobicContact SD-CZ 3.6Å |
| 217 | I | 60.3 | Low | 57.7 | Low | 52 Ų | 52 | 60.5 Ų | 60.5 | 27% | 0.267 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 114.6 | 173.7 | -56.7 | 172.2 | 0 | 0 | 0 | 107.5 | G207 S208 T210 R219 C223 | G207-I217 CarbonylContact C-O 3.57Å; G207-I217 VanDerWaalsContact C-O 3.3Å; G207-I217 WeakPolarHBondContact CA-O 3.36Å; S208-I217 PolarHBondContact N-O 3.15Å; S208-I217 PolarHBondContact O-N 2.86Å; T210-I217 HydrophobicContact CG2-CD1 4.01Å; T210-I217 HydrophobicContact CG2-CG1 3.92Å; I217-R219 PolarHBondContact O-N 3.37Å; I217-C223 CarbonylContact C-O 3.53Å; I217-C223 WeakPolarHBondContact CA-O 3.31Å |
| 218 | C | 61.4 | Low | 57.1 | Low | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 124.8 | 173.8 | -176.5 | 0 | 0 | 0 | 0 | 110.7 | Y206 M216 S220 C221 N222 C223 F235 H238 C243 | Y206-C218 CarbonylContact O-C 3.46Å; Y206-C218 WeakPolarHBondContact O-CA 3.19Å; Y206-C218 PolarHBondContact O-SG 2.95Å; Y206-C218 VanDerWaalsContact O-SG 3.36Å; M216-C218 PolarHBondContact O-N 3.34Å; C218-S220 VanDerWaalsContact C-N 3.29Å; C218-S220 PolarHBondContact O-N 2.92Å; C218-S220 PolarHBondContact SG-N 3.07Å; C218-S220 VanDerWaalsContact SG-N 3.41Å; C218-C221 VanDerWaalsContact CB-SG 3.59Å; C218-N222 WeakPolarHBondContact O-CA 3.42Å; C218-N222 PolarHBondContact O-N 2.57Å; C218-C223 PolarHBondContact N-O 3.25Å; C218-F235 HydrophobicContact CB-CE2 3.86Å; C218-H238 WeakPolarHBondContact CB-NE2 3.34Å; C218-C243 PolarHBondContact SG-SG 3.41Å |
| 219 | R | 58.3 | Low | 56.7 | Low | 143 Ų | 143 | 68.6 Ų | 68.6 | 54% | 0.54 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -21.3 | 176.6 | -74.5 | 179.6 | 177.9 | -170 | -1.8 | 113.4 | Y206 I217 | Y206-R219 PolarHBondContact O-N 3.4Å; I217-R219 PolarHBondContact O-N 3.37Å |
| 220 | S | 56.1 | Low | 56.2 | Low | 71 Ų | 71 | 66.9 Ų | 66.9 | 50% | 0.497 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -35 | -177.1 | -59.9 | 0 | 0 | 0 | 0 | 112.8 | C218 C243 | C218-S220 VanDerWaalsContact C-N 3.29Å; C218-S220 PolarHBondContact O-N 2.92Å; C218-S220 PolarHBondContact SG-N 3.07Å; C218-S220 VanDerWaalsContact SG-N 3.41Å; S220-C243 VanDerWaalsContact CB-SG 3.58Å |
| 221 | C | 58.3 | Low | 55.9 | Low | 46 Ų | 46 | 69 Ų | 69 | 31% | 0.311 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.6 | 3.2 | -177.7 | 62.7 | 0 | 0 | 0 | 0 | 114 | C218 C223 H238 | C218-C221 VanDerWaalsContact CB-SG 3.59Å; C221-C223 PolarHBondContact O-N 2.95Å; C221-C223 VanDerWaalsContact O-N 3.08Å; C221-H238 PolarHBondContact SG-CE1 3.47Å; C221-H238 PolarHBondContact SG-NE2 3.17Å |
| 222 | N | 54.9 | Low | 56.2 | Low | 124 Ų | 124 | 66.2 Ų | 66.2 | 66% | 0.663 | 38% | 0.382 | S | S | * | . | trans | 56.8 | 15.3 | -176.1 | -74.1 | -10.1 | 0 | 0 | 0 | 115.3 | C218 | C218-N222 WeakPolarHBondContact O-CA 3.42Å; C218-N222 PolarHBondContact O-N 2.57Å | ||
| 223 | C | 55.1 | Low | 55.9 | Low | 46 Ų | 46 | 65.3 Ų | 65.3 | 31% | 0.311 | 38% | 0.381 | S | S | . | . | trans | -76.6 | 142.3 | 176.3 | -63.4 | 0 | 0 | 0 | 0 | 111.6 | I217 C218 C221 H238 | I217-C223 CarbonylContact C-O 3.53Å; I217-C223 WeakPolarHBondContact CA-O 3.31Å; C218-C223 PolarHBondContact N-O 3.25Å; C221-C223 PolarHBondContact O-N 2.95Å; C221-C223 VanDerWaalsContact O-N 3.08Å; C223-H238 VanDerWaalsContact CB-CE1 3.43Å; C223-H238 WeakPolarHBondContact CB-CE1 3.23Å | ||
| 224 | C | 60.6 | Low | 56.1 | Low | 81 Ų | 81 | 67 Ų | 67 | 55% | 0.547 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 120.8 | 170 | -168.6 | 0 | 0 | 0 | 0 | 109.1 | H215 | H215-C224 WeakPolarHBondContact CB-SG 3.39Å |
| 225 | V | 60 | Low | 56.4 | Low | 17 Ų | 17 | 58.9 Ų | 58.9 | 10% | 0.103 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 120.7 | -179.6 | -175.9 | 0 | 0 | 0 | 0 | 109 | H215 M216 N234 F235 H238 | H215-V225 CarbonylContact C-O 3.52Å; H215-V225 WeakPolarHBondContact CA-O 3.26Å; M216-V225 PolarHBondContact N-O 3.48Å; M216-V225 PolarHBondContact O-N 2.86Å; V225-N234 HydrophobicContact CG1-CB 3.93Å; V225-F235 HydrophobicContact CB-CD2 4.25Å; V225-F235 HydrophobicContact CG1-CB 4.46Å; V225-F235 HydrophobicContact CG2-CD2 4.06Å; V225-H238 HydrophobicContact CG1-CB 4.35Å; V225-H238 HydrophobicContact CG2-CB 3.75Å |
| 226 | A | 60.1 | Low | 56.4 | Low | 53 Ų | 53 | 58.7 Ų | 58.7 | 44% | 0.438 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 133.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | N234 | A226-N234 PolarHBondContact O-ND2 2.87Å; A226-N234 VanDerWaalsContact O-ND2 3.13Å |
| 227 | L | 62.3 | Low | 56.4 | Low | 7 Ų | 7 | 63.5 Ų | 63.5 | 4% | 0.037 | 38% | 0.379 | C | S | . | . | trans | -106.6 | 81.4 | 174.1 | -52.9 | 177.8 | 0 | 0 | 0 | 107.1 | L209 R214 M216 D229 G230 T231 F235 | L209-L227 HydrophobicContact CD1-CD1 3.48Å; L209-L227 VanDerWaalsContact CD1-CD1 3.48Å; R214-L227 PolarHBondContact O-N 3.13Å; M216-L227 HydrophobicContact CB-CD1 4.25Å; M216-L227 HydrophobicContact CB-CD2 4.36Å; M216-L227 HydrophobicContact CB-CG 4.46Å; M216-L227 HydrophobicContact CE-CD1 4.1Å; L227-D229 PolarHBondContact O-N 2.97Å; L227-G230 PolarHBondContact O-N 2.88Å; L227-T231 VanDerWaalsContact CD2-O 3.31Å; L227-T231 WeakPolarHBondContact CD2-O 3.42Å; L227-F235 HydrophobicContact CD2-CB 4.04Å | ||
| 228 | A | 45.2 | Very low | 56.5 | Low | 77 Ų | 77 | 62.1 Ų | 62.1 | 64% | 0.636 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -20 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 229 | D | 50.2 | Low | 56.3 | Low | 137 Ų | 137 | 62.6 Ų | 62.6 | 73% | 0.733 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.8 | 25.1 | -180 | -55.9 | -58.8 | 0 | 0 | 0 | 112.3 | L227 T231 | L227-D229 PolarHBondContact O-N 2.97Å; D229-T231 HydrophobicContact CB-CG2 4.07Å; D229-T231 PolarHBondContact O-N 3.2Å; D229-T231 VanDerWaalsContact O-N 3.08Å |
| 230 | G | 43.6 | Very low | 56.3 | Low | 61 Ų | 61 | 60.5 Ų | 60.5 | 63% | 0.629 | 37% | 0.369 | S | S | * | . | S | Bend | trans | 66.2 | 5.3 | -168 | 0 | 0 | 0 | 0 | 0 | 113.6 | L227 | L227-G230 PolarHBondContact O-N 2.88Š|
| 231 | T | 50.2 | Low | 56.3 | Low | 59 Ų | 59 | 62.2 Ų | 62.2 | 36% | 0.362 | 37% | 0.372 | S | S | . | . | trans | -79 | 126.7 | -178.4 | 47.6 | 0 | 0 | 0 | 0 | 111.2 | L227 D229 S233 | L227-T231 VanDerWaalsContact CD2-O 3.31Å; L227-T231 WeakPolarHBondContact CD2-O 3.42Å; D229-T231 HydrophobicContact CB-CG2 4.07Å; D229-T231 PolarHBondContact O-N 3.2Å; D229-T231 VanDerWaalsContact O-N 3.08Å; T231-S233 PolarHBondContact O-N 3.35Å | ||
| 232 | F | 59.4 | Low | 56.2 | Low | 79 Ų | 79 | 65.1 Ų | 65.1 | 35% | 0.346 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -4 | -179.2 | -151.6 | -102.7 | 0 | 0 | 0 | 112.9 | M216 N234 F235 V236 | M216-F232 HydrophobicContact CE-CD2 3.6Å; M216-F232 HydrophobicContact CE-CE2 3.1Å; M216-F232 HydrophobicContact CE-CZ 4.03Å; M216-F232 HydrophobicContact SD-CD2 4.05Å; M216-F232 HydrophobicContact SD-CE2 3.27Å; M216-F232 WeakPolarHBondContact SD-CE2 3.32Å; M216-F232 HydrophobicContact SD-CZ 3.57Å; M216-F232 VanDerWaalsContact SD-CZ 3.57Å; F232-N234 PolarHBondContact O-N 2.71Å; F232-F235 HydrophobicContact CD1-CD1 4.13Å; F232-F235 AromaticContact CE1-CD1 3.47Å; F232-F235 HydrophobicContact CE1-CD1 3.47Å; F232-F235 VanDerWaalsContact CE1-CD1 3.47Å; F232-F235 HydrophobicContact CE1-CE1 4.03Å; F232-F235 HydrophobicContact CE2-CD1 4.08Å; F232-F235 AromaticContact CZ-CD1 3.43Å; F232-F235 HydrophobicContact CZ-CD1 3.43Å; F232-F235 VanDerWaalsContact CZ-CD1 3.43Å; F232-F235 AromaticContact CZ-CE1 3.74Å; F232-F235 HydrophobicContact CZ-CE1 3.74Å; F232-F235 HydrophobicContact CZ-CG 4.48Å; F232-F235 PolarHBondContact O-N 3.18Å; F232-F235 VanDerWaalsContact O-N 3.17Å; F232-V236 HydrophobicContact CD1-CG2 3.53Å; F232-V236 HydrophobicContact CE1-CG2 3.99Å; F232-V236 WeakPolarHBondContact O-CG2 3.39Å; F232-V236 PolarHBondContact O-N 3.22Å |
| 233 | S | 51.8 | Low | 56.1 | Low | 53 Ų | 53 | 60.4 Ų | 60.4 | 37% | 0.371 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -59.3 | -45.4 | -175.5 | 53.6 | 0 | 0 | 0 | 0 | 112.4 | T231 F235 V236 Q237 | T231-S233 PolarHBondContact O-N 3.35Å; S233-F235 VanDerWaalsContact C-N 3.3Å; S233-F235 PolarHBondContact O-N 3.17Å; S233-V236 PolarHBondContact O-N 3.24Å; S233-Q237 WeakPolarHBondContact O-CB 3.48Å; S233-Q237 WeakPolarHBondContact O-CG 3.37Å; S233-Q237 PolarHBondContact O-N 2.89Å |
| 234 | N | 55.3 | Low | 55.9 | Low | 61 Ų | 61 | 63.7 Ų | 63.7 | 33% | 0.326 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.5 | -39.4 | 176.4 | -72.9 | -10.9 | 0 | 0 | 0 | 111.8 | V225 A226 F232 Q237 H238 | V225-N234 HydrophobicContact CG1-CB 3.93Å; A226-N234 PolarHBondContact O-ND2 2.87Å; A226-N234 VanDerWaalsContact O-ND2 3.13Å; F232-N234 PolarHBondContact O-N 2.71Å; N234-Q237 PolarHBondContact O-N 3.06Å; N234-H238 VanDerWaalsContact O-CB 3.26Å; N234-H238 WeakPolarHBondContact O-CB 3.41Å; N234-H238 PolarHBondContact O-N 3.27Å |
| 235 | F | 61.5 | Low | 55 | Low | 3 Ų | 3 | 63.7 Ų | 63.7 | 1% | 0.013 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -69.7 | -39.9 | 177.1 | -177.3 | -106.2 | 0 | 0 | 0 | 112.1 | Y206 M216 C218 V225 L227 F232 S233 H238 L239 | Y206-F235 WeakPolarHBondContact O-CZ 3.12Å; M216-F235 HydrophobicContact CB-CB 4.34Å; M216-F235 HydrophobicContact CB-CD2 3.6Å; M216-F235 HydrophobicContact CB-CE2 4.04Å; M216-F235 HydrophobicContact CB-CG 4Å; M216-F235 HydrophobicContact CG-CD1 4.2Å; M216-F235 HydrophobicContact CG-CD2 3.5Å; M216-F235 VanDerWaalsContact CG-CD2 3.5Å; M216-F235 HydrophobicContact CG-CE1 4.15Å; M216-F235 HydrophobicContact CG-CE2 3.48Å; M216-F235 VanDerWaalsContact CG-CE2 3.48Å; M216-F235 HydrophobicContact CG-CG 3.86Å; M216-F235 HydrophobicContact CG-CZ 3.81Å; M216-F235 HydrophobicContact SD-CB 4.14Å; M216-F235 HydrophobicContact SD-CD1 3.24Å; M216-F235 WeakPolarHBondContact SD-CD1 3.39Å; M216-F235 HydrophobicContact SD-CD2 3.68Å; M216-F235 HydrophobicContact SD-CE1 3.32Å; M216-F235 WeakPolarHBondContact SD-CE1 3.32Å; M216-F235 HydrophobicContact SD-CE2 3.79Å; M216-F235 HydrophobicContact SD-CG 3.39Å; M216-F235 WeakPolarHBondContact SD-CG 3.24Å; M216-F235 HydrophobicContact SD-CZ 3.6Å; C218-F235 HydrophobicContact CB-CE2 3.86Å; V225-F235 HydrophobicContact CB-CD2 4.25Å; V225-F235 HydrophobicContact CG1-CB 4.46Å; V225-F235 HydrophobicContact CG2-CD2 4.06Å; L227-F235 HydrophobicContact CD2-CB 4.04Å; F232-F235 HydrophobicContact CD1-CD1 4.13Å; F232-F235 AromaticContact CE1-CD1 3.47Å; F232-F235 HydrophobicContact CE1-CD1 3.47Å; F232-F235 VanDerWaalsContact CE1-CD1 3.47Å; F232-F235 HydrophobicContact CE1-CE1 4.03Å; F232-F235 HydrophobicContact CE2-CD1 4.08Å; F232-F235 AromaticContact CZ-CD1 3.43Å; F232-F235 HydrophobicContact CZ-CD1 3.43Å; F232-F235 VanDerWaalsContact CZ-CD1 3.43Å; F232-F235 AromaticContact CZ-CE1 3.74Å; F232-F235 HydrophobicContact CZ-CE1 3.74Å; F232-F235 HydrophobicContact CZ-CG 4.48Å; F232-F235 PolarHBondContact O-N 3.18Å; F232-F235 VanDerWaalsContact O-N 3.17Å; S233-F235 VanDerWaalsContact C-N 3.3Å; S233-F235 PolarHBondContact O-N 3.17Å; F235-H238 WeakPolarHBondContact O-CB 3.32Å; F235-H238 PolarHBondContact O-N 2.99Å; F235-L239 HydrophobicContact CD1-CD1 3.98Å; F235-L239 HydrophobicContact CD1-CG 4.2Å; F235-L239 HydrophobicContact CE1-CD1 3.5Å; F235-L239 HydrophobicContact CE1-CD2 4.2Å; F235-L239 HydrophobicContact CE1-CG 3.85Å; F235-L239 HydrophobicContact CE2-CD2 4.24Å; F235-L239 HydrophobicContact CE2-CG 4.41Å; F235-L239 HydrophobicContact CZ-CD1 4.01Å; F235-L239 HydrophobicContact CZ-CD2 3.82Å; F235-L239 HydrophobicContact CZ-CG 3.96Å; F235-L239 WeakPolarHBondContact O-CG 3.49Å; F235-L239 PolarHBondContact O-N 3.01Å |
| 236 | V | 59.8 | Low | 53.8 | Low | 53 Ų | 53 | 68.7 Ų | 68.7 | 32% | 0.321 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.2 | -42.2 | 174.2 | 174.3 | 0 | 0 | 0 | 0 | 111.2 | F232 S233 H238 L239 K240 | F232-V236 HydrophobicContact CD1-CG2 3.53Å; F232-V236 HydrophobicContact CE1-CG2 3.99Å; F232-V236 WeakPolarHBondContact O-CG2 3.39Å; F232-V236 PolarHBondContact O-N 3.22Å; S233-V236 PolarHBondContact O-N 3.24Å; V236-H238 VanDerWaalsContact C-N 3.32Å; V236-L239 PolarHBondContact O-N 3.44Å; V236-K240 HydrophobicContact CG1-CD 4.19Å; V236-K240 WeakPolarHBondContact O-CB 3.46Å; V236-K240 VanDerWaalsContact O-CG 3.32Å; V236-K240 WeakPolarHBondContact O-CG 3.17Å; V236-K240 PolarHBondContact O-N 3.08Å |
| 237 | Q | 61.1 | Low | 52.5 | Low | 110 Ų | 110 | 72.3 Ų | 72.3 | 51% | 0.514 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60.4 | -44.4 | 173.5 | -75.5 | -178.1 | 1.2 | 0 | 0 | 111.1 | S233 N234 L239 K240 L241 | S233-Q237 WeakPolarHBondContact O-CB 3.48Å; S233-Q237 WeakPolarHBondContact O-CG 3.37Å; S233-Q237 PolarHBondContact O-N 2.89Å; N234-Q237 PolarHBondContact O-N 3.06Å; Q237-L239 PolarHBondContact O-N 2.79Å; Q237-K240 PolarHBondContact O-N 3.46Å; Q237-L241 WeakPolarHBondContact O-CB 3.22Å; Q237-L241 WeakPolarHBondContact O-CG 3.41Å; Q237-L241 PolarHBondContact O-N 2.86Å |
| 238 | H | 60.7 | Low | 51 | Low | 23 Ų | 23 | 81 Ų | 81 | 11% | 0.106 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -60.2 | -44.6 | 175.7 | 174.2 | 82.7 | 0 | 0 | 0 | 112.4 | C218 C221 C223 V225 N234 F235 V236 K240 L241 H242 | C218-H238 WeakPolarHBondContact CB-NE2 3.34Å; C221-H238 PolarHBondContact SG-CE1 3.47Å; C221-H238 PolarHBondContact SG-NE2 3.17Å; C223-H238 VanDerWaalsContact CB-CE1 3.43Å; C223-H238 WeakPolarHBondContact CB-CE1 3.23Å; V225-H238 HydrophobicContact CG1-CB 4.35Å; V225-H238 HydrophobicContact CG2-CB 3.75Å; N234-H238 VanDerWaalsContact O-CB 3.26Å; N234-H238 WeakPolarHBondContact O-CB 3.41Å; N234-H238 PolarHBondContact O-N 3.27Å; F235-H238 WeakPolarHBondContact O-CB 3.32Å; F235-H238 PolarHBondContact O-N 2.99Å; V236-H238 VanDerWaalsContact C-N 3.32Å; H238-K240 PolarHBondContact O-N 3.32Å; H238-L241 PolarHBondContact O-N 3.27Å; H238-H242 AromaticContact ND1-CD2 3.64Å; H238-H242 WeakPolarHBondContact O-CB 3.38Å; H238-H242 PolarHBondContact O-N 3.28Å |
| 239 | L | 58.9 | Low | 50.3 | Low | 10 Ų | 10 | 81.2 Ų | 81.2 | 5% | 0.052 | 44% | 0.441 | C | S | . | . | I | π-helix | trans | -61.6 | -45 | 174.8 | -68.7 | -178.1 | 0 | 0 | 0 | 111.9 | Y206 F235 V236 Q237 C243 F244 | Y206-L239 VanDerWaalsContact CB-CD1 3.47Å; Y206-L239 HydrophobicContact CD2-CD1 4.11Å; Y206-L239 HydrophobicContact CG-CD1 3.81Å; Y206-L239 HydrophobicContact CG-CD2 4.29Å; F235-L239 HydrophobicContact CD1-CD1 3.98Å; F235-L239 HydrophobicContact CD1-CG 4.2Å; F235-L239 HydrophobicContact CE1-CD1 3.5Å; F235-L239 HydrophobicContact CE1-CD2 4.2Å; F235-L239 HydrophobicContact CE1-CG 3.85Å; F235-L239 HydrophobicContact CE2-CD2 4.24Å; F235-L239 HydrophobicContact CE2-CG 4.41Å; F235-L239 HydrophobicContact CZ-CD1 4.01Å; F235-L239 HydrophobicContact CZ-CD2 3.82Å; F235-L239 HydrophobicContact CZ-CG 3.96Å; F235-L239 WeakPolarHBondContact O-CG 3.49Å; F235-L239 PolarHBondContact O-N 3.01Å; V236-L239 PolarHBondContact O-N 3.44Å; Q237-L239 PolarHBondContact O-N 2.79Å; L239-C243 HydrophobicContact CD2-CB 4Å; L239-C243 CarbonylContact O-C 3.51Å; L239-C243 WeakPolarHBondContact O-CA 3.44Å; L239-C243 VanDerWaalsContact O-CB 3.3Å; L239-C243 WeakPolarHBondContact O-CB 3.19Å; L239-C243 PolarHBondContact O-N 3.22Å; L239-F244 HydrophobicContact CB-CD2 3.96Å; L239-F244 HydrophobicContact CB-CE2 3.59Å; L239-F244 HydrophobicContact CB-CZ 4.41Å; L239-F244 HydrophobicContact CD1-CE2 4.26Å; L239-F244 HydrophobicContact CG-CE2 4.48Å; L239-F244 VanDerWaalsContact O-CD2 3.23Å; L239-F244 WeakPolarHBondContact O-CD2 3.35Å; L239-F244 PolarHBondContact O-N 3.06Å |
| 240 | K | 58 | Low | 49.3 | Very low | 100 Ų | 100 | 84.2 Ų | 84.2 | 44% | 0.435 | 45% | 0.448 | S | S | . | . | I | π-helix | trans | -58.1 | -55.1 | 176.5 | -74.6 | 174.2 | 179 | 178.6 | 0 | 110.5 | V236 Q237 H238 S245 | V236-K240 HydrophobicContact CG1-CD 4.19Å; V236-K240 WeakPolarHBondContact O-CB 3.46Å; V236-K240 VanDerWaalsContact O-CG 3.32Å; V236-K240 WeakPolarHBondContact O-CG 3.17Å; V236-K240 PolarHBondContact O-N 3.08Å; Q237-K240 PolarHBondContact O-N 3.46Å; H238-K240 PolarHBondContact O-N 3.32Å; K240-S245 WeakPolarHBondContact O-CB 3.37Å; K240-S245 PolarHBondContact O-N 2.97Å; K240-S245 VanDerWaalsContact O-N 3.17Å; K240-S245 PolarHBondContact O-OG 2.95Å |
| 241 | L | 55.6 | Low | 48.7 | Very low | 106 Ų | 106 | 88.3 Ų | 88.3 | 56% | 0.555 | 46% | 0.455 | S | S | * | . | I | π-helix | trans | -68.6 | -42.8 | -173.8 | -75 | 162.5 | 0 | 0 | 0 | 113.5 | Q237 H238 S245 | Q237-L241 WeakPolarHBondContact O-CB 3.22Å; Q237-L241 WeakPolarHBondContact O-CG 3.41Å; Q237-L241 PolarHBondContact O-N 2.86Å; H238-L241 PolarHBondContact O-N 3.27Å; L241-S245 WeakPolarHBondContact O-CB 3.43Å |
| 242 | H | 55.2 | Low | 47.7 | Very low | 107 Ų | 107 | 94.8 Ų | 94.8 | 50% | 0.495 | 48% | 0.475 | S | S | . | . | I | π-helix | trans | -114.5 | -19.3 | -165.2 | -61.1 | -72.4 | 0 | 0 | 0 | 114.3 | H238 | H238-H242 AromaticContact ND1-CD2 3.64Å; H238-H242 WeakPolarHBondContact O-CB 3.38Å; H238-H242 PolarHBondContact O-N 3.28Å |
| 243 | C | 53.9 | Low | 46.1 | Very low | 26 Ų | 26 | 98.9 Ų | 98.9 | 18% | 0.176 | 50% | 0.495 | C | S | . | . | I | π-helix | trans | -110.3 | -32.6 | -175.5 | -55.2 | 0 | 0 | 0 | 0 | 113 | C218 S220 L239 | C218-C243 PolarHBondContact SG-SG 3.41Å; S220-C243 VanDerWaalsContact CB-SG 3.58Å; L239-C243 HydrophobicContact CD2-CB 4Å; L239-C243 CarbonylContact O-C 3.51Å; L239-C243 WeakPolarHBondContact O-CA 3.44Å; L239-C243 VanDerWaalsContact O-CB 3.3Å; L239-C243 WeakPolarHBondContact O-CB 3.19Å; L239-C243 PolarHBondContact O-N 3.22Å |
| 244 | F | 50.5 | Low | 44.9 | Very low | 114 Ų | 114 | 100.1 Ų | 100.1 | 50% | 0.5 | 51% | 0.508 | S | S | . | . | I | π-helix | trans | -102.2 | -26.1 | 179.9 | -60.4 | -50 | 0 | 0 | 0 | 113.3 | Y206 L239 | Y206-F244 HydrophobicContact CD1-CE1 4.13Å; Y206-F244 AromaticContact CD1-CZ 3.81Å; Y206-F244 HydrophobicContact CD1-CZ 3.81Å; Y206-F244 HydrophobicContact CD2-CZ 4.46Å; Y206-F244 AromaticContact CE1-CE1 3.48Å; Y206-F244 HydrophobicContact CE1-CE1 3.48Å; Y206-F244 VanDerWaalsContact CE1-CE1 3.48Å; Y206-F244 AromaticContact CE1-CZ 3.41Å; Y206-F244 HydrophobicContact CE1-CZ 3.41Å; Y206-F244 VanDerWaalsContact CE1-CZ 3.41Å; Y206-F244 HydrophobicContact CE2-CZ 4.1Å; Y206-F244 HydrophobicContact CG-CZ 4.32Å; Y206-F244 AromaticContact CZ-CE1 3.87Å; Y206-F244 AromaticContact CZ-CZ 3.56Å; L239-F244 HydrophobicContact CB-CD2 3.96Å; L239-F244 HydrophobicContact CB-CE2 3.59Å; L239-F244 HydrophobicContact CB-CZ 4.41Å; L239-F244 HydrophobicContact CD1-CE2 4.26Å; L239-F244 HydrophobicContact CG-CE2 4.48Å; L239-F244 VanDerWaalsContact O-CD2 3.23Å; L239-F244 WeakPolarHBondContact O-CD2 3.35Å; L239-F244 PolarHBondContact O-N 3.06Å |
| 245 | S | 42 | Very low | 43.6 | Very low | 82 Ų | 82 | 102.8 Ų | 102.8 | 57% | 0.573 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -88.8 | -13.4 | -178.8 | -54.9 | 0 | 0 | 0 | 0 | 114.6 | K240 L241 | K240-S245 WeakPolarHBondContact O-CB 3.37Å; K240-S245 PolarHBondContact O-N 2.97Å; K240-S245 VanDerWaalsContact O-N 3.17Å; K240-S245 PolarHBondContact O-OG 2.95Å; L241-S245 WeakPolarHBondContact O-CB 3.43Å |
| 246 | Q | 34.9 | Very low | 41.9 | Very low | 121 Ų | 121 | 109.5 Ų | 109.5 | 57% | 0.565 | 56% | 0.564 | S | S | * | * | trans | -139.9 | 115.2 | 178.5 | -68 | -163 | 7 | 0 | 0 | 112.8 | K248 | Q246-K248 PolarHBondContact O-N 3.46Å; Q246-K248 VanDerWaalsContact O-N 3.07Å | ||
| 247 | P | 33.1 | Very low | 40.3 | Very low | 129 Ų | 129 | 113.9 Ų | 113.9 | 84% | 0.838 | 58% | 0.579 | S | S | * | * | trans | -72.5 | 99.6 | 167 | 29.1 | -28.6 | 0 | 0 | 0 | 109 | ||||
| 248 | K | 29.7 | Very low | 38.6 | Very low | 189 Ų | 189 | 115.2 Ų | 115.2 | 82% | 0.822 | 59% | 0.594 | S | S | * | * | trans | 49.6 | 109.6 | 162.7 | -60.5 | 177.2 | 179.5 | 175.9 | 0 | 117.2 | Q246 | Q246-K248 PolarHBondContact O-N 3.46Å; Q246-K248 VanDerWaalsContact O-N 3.07Å | ||
| 249 | P | 30.2 | Very low | 37 | Very low | 82 Ų | 82 | 119.4 Ų | 119.4 | 53% | 0.532 | 62% | 0.621 | S | S | . | * | trans | -104.1 | 122.4 | 134.7 | 22.7 | -10.7 | 0 | 0 | 0 | 109.1 | N251 | P249-N251 PolarHBondContact O-N 2.9Š| ||
| 250 | K | 31.1 | Very low | 35.4 | Very low | 200 Ų | 200 | 125.1 Ų | 125.1 | 87% | 0.87 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -60.3 | 7.4 | 176.3 | -83.2 | 178.9 | 171.3 | -180 | 0 | 115 | ||
| 251 | N | 29.3 | Very low | 33.8 | Very low | 148 Ų | 148 | 125.6 Ų | 125.6 | 79% | 0.791 | 67% | 0.673 | S | S | * | * | trans | -143 | 65.9 | -165.7 | -62.1 | -24.2 | 0 | 0 | 0 | 111.9 | P249 | P249-N251 PolarHBondContact O-N 2.9Š| ||
| 252 | Y | 30 | Very low | 32.4 | Very low | 195 Ų | 195 | 127.5 Ų | 127.5 | 77% | 0.765 | 68% | 0.684 | S | S | * | * | trans | -109.6 | 105.9 | 164.7 | -151.5 | -96.2 | 0 | 0 | 0 | 108.8 | A254 | Y252-A254 PolarHBondContact O-N 3.06Š| ||
| 253 | E | 26.5 | Very low | 30.9 | Very low | 164 Ų | 164 | 128.2 Ų | 128.2 | 77% | 0.766 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 125.4 | 166.1 | -76 | -179.4 | 142.8 | 0 | 0 | 108.1 | ||
| 254 | A | 25.5 | Very low | 29.6 | Very low | 79 Ų | 79 | 134.5 Ų | 134.5 | 65% | 0.653 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 140.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | Y252 L256 | Y252-A254 PolarHBondContact O-N 3.06Å; A254-L256 PolarHBondContact O-N 2.83Å |
| 255 | P | 27.9 | Very low | 28.4 | Very low | 118 Ų | 118 | 135 Ų | 135 | 77% | 0.766 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 116.4 | -178.5 | 18.1 | -28.9 | 0 | 0 | 0 | 109.6 | K257 | P255-K257 PolarHBondContact O-N 3.01Å; P255-K257 VanDerWaalsContact O-N 3.14Å |
| 256 | L | 26.9 | Very low | 27.8 | Very low | 143 Ų | 143 | 136.6 Ų | 136.6 | 75% | 0.749 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 120.4 | 174.4 | -110.9 | 114.2 | 0 | 0 | 0 | 107.6 | A254 V258 | A254-L256 PolarHBondContact O-N 2.83Å; L256-V258 PolarHBondContact O-N 3.15Å |
| 257 | K | 26.1 | Very low | 27.3 | Very low | 146 Ų | 146 | 135.8 Ų | 135.8 | 64% | 0.635 | 75% | 0.751 | S | S | * | * | trans | -53 | 105.2 | 168.7 | -81.2 | 176.7 | 171 | 178.5 | 0 | 109 | P255 T259 | P255-K257 PolarHBondContact O-N 3.01Å; P255-K257 VanDerWaalsContact O-N 3.14Å; K257-T259 PolarHBondContact O-N 2.75Å | ||
| 258 | V | 25.6 | Very low | 26.9 | Very low | 138 Ų | 138 | 134.8 Ų | 134.8 | 84% | 0.836 | 75% | 0.746 | S | S | * | * | trans | -87.6 | 99 | 155.9 | -175.4 | 0 | 0 | 0 | 0 | 106.4 | L256 | L256-V258 PolarHBondContact O-N 3.15Š| ||
| 259 | T | 25.3 | Very low | 26.6 | Very low | 110 Ų | 110 | 129.3 Ų | 129.3 | 68% | 0.675 | 74% | 0.736 | S | S | * | * | trans | -55.5 | 133.2 | 166 | 43.2 | 0 | 0 | 0 | 0 | 111.2 | K257 | K257-T259 PolarHBondContact O-N 2.75Š| ||
| 260 | T | 25.8 | Very low | 26.4 | Very low | 131 Ų | 131 | 131.3 Ų | 131.3 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | -164.1 | 134 | 126.4 | 29.1 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 261 | S | 24.7 | Very low | 26.1 | Very low | 109 Ų | 109 | 127.6 Ų | 127.6 | 76% | 0.762 | 74% | 0.743 | S | S | * | * | S | Bend | trans | 66.5 | 86.6 | 164 | 59.6 | 0 | 0 | 0 | 0 | 120 | ||
| 262 | N | 25.6 | Very low | 25.7 | Very low | 146 Ų | 146 | 127 Ų | 127 | 78% | 0.781 | 75% | 0.745 | S | S | * | * | 169.4 | 129.2 | 105.7 | -105.7 | -28.7 | 0 | 0 | 0 | 110.9 | I264 | N262-I264 PolarHBondContact O-N 2.92Å; N262-I264 VanDerWaalsContact O-N 3.17Å | |||
| 263 | P | 24.4 | Very low | 25.5 | Very low | 122 Ų | 122 | 124.4 Ų | 124.4 | 79% | 0.792 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.5 | 71.7 | -165.6 | 37.5 | -34 | 0 | 0 | 0 | 112.2 | ||
| 264 | I | 27.2 | Very low | 25.4 | Very low | 159 Ų | 159 | 120.3 Ų | 120.3 | 82% | 0.815 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.5 | -5 | 171.5 | -51.7 | 178.7 | 0 | 0 | 0 | 113.6 | N262 | N262-I264 PolarHBondContact O-N 2.92Å; N262-I264 VanDerWaalsContact O-N 3.17Å |
| 265 | V | 25.2 | Very low | 25.2 | Very low | 123 Ų | 123 | 122.3 Ų | 122.3 | 75% | 0.745 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -101 | 122.1 | -175.1 | -169.8 | 0 | 0 | 0 | 0 | 111.3 | V267 | V265-V267 PolarHBondContact O-N 3.24Å; V265-V267 VanDerWaalsContact O-N 3.1Å |
| 266 | P | 28.2 | Very low | 25 | Very low | 116 Ų | 116 | 123.1 Ų | 123.1 | 75% | 0.753 | 75% | 0.749 | S | S | * | * | trans | -62.4 | 116.6 | 179.1 | 24 | -30.7 | 0 | 0 | 0 | 109.9 | C268 | P266-C268 PolarHBondContact O-N 3.26Š| ||
| 267 | V | 24.1 | Very low | 24.9 | Very low | 104 Ų | 104 | 120 Ų | 120 | 63% | 0.63 | 74% | 0.744 | S | S | * | * | trans | -70.1 | 108.5 | 173.4 | 164.5 | 0 | 0 | 0 | 0 | 108.4 | V265 A269 | V265-V267 PolarHBondContact O-N 3.24Å; V265-V267 VanDerWaalsContact O-N 3.1Å; V267-A269 PolarHBondContact O-N 3.28Å | ||
| 268 | C | 25.1 | Very low | 24.8 | Very low | 108 Ų | 108 | 120 Ų | 120 | 73% | 0.73 | 76% | 0.756 | S | S | * | * | trans | -63.4 | 114.4 | 168.3 | -83.9 | 0 | 0 | 0 | 0 | 110 | P266 | P266-C268 PolarHBondContact O-N 3.26Š| ||
| 269 | A | 23.5 | Very low | 24.9 | Very low | 74 Ų | 74 | 118.9 Ų | 118.9 | 61% | 0.612 | 76% | 0.755 | S | S | * | * | trans | -67.2 | 149.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | V267 V271 | V267-A269 PolarHBondContact O-N 3.28Å; A269-V271 PolarHBondContact O-N 3.45Å | ||
| 270 | P | 26.1 | Very low | 24.9 | Very low | 125 Ų | 125 | 119.3 Ų | 119.3 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | trans | -61.8 | 119.1 | 176 | 23.9 | -31.4 | 0 | 0 | 0 | 110.3 | T272 | P270-T272 PolarHBondContact O-N 3.38Š| ||
| 271 | V | 24.7 | Very low | 25 | Very low | 121 Ų | 121 | 117.6 Ų | 117.6 | 73% | 0.733 | 76% | 0.756 | S | S | * | * | trans | -73.8 | 114.6 | 174.8 | 178.7 | 0 | 0 | 0 | 0 | 108.7 | A269 I273 | A269-V271 PolarHBondContact O-N 3.45Å; V271-I273 PolarHBondContact O-N 3.09Å | ||
| 272 | T | 21.9 | Very low | 25.1 | Very low | 137 Ų | 137 | 123.7 Ų | 123.7 | 84% | 0.84 | 76% | 0.762 | S | S | * | * | trans | -68.8 | 105.8 | 171.1 | -24.7 | 0 | 0 | 0 | 0 | 108.4 | P270 A274 | P270-T272 PolarHBondContact O-N 3.38Å; T272-A274 PolarHBondContact O-N 3.19Å | ||
| 273 | I | 25.5 | Very low | 25.2 | Very low | 139 Ų | 139 | 124.2 Ų | 124.2 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | trans | -83.2 | 114.5 | 171.4 | -57.2 | 177.7 | 0 | 0 | 0 | 107.3 | V271 S275 | V271-I273 PolarHBondContact O-N 3.09Å; I273-S275 PolarHBondContact O-N 3.16Å | ||
| 274 | A | 23.8 | Very low | 25.3 | Very low | 79 Ų | 79 | 125.1 Ų | 125.1 | 65% | 0.653 | 76% | 0.758 | S | S | * | * | trans | -51.7 | 125.8 | 174 | 0 | 0 | 0 | 0 | 0 | 110.5 | T272 V276 | T272-A274 PolarHBondContact O-N 3.19Å; A274-V276 PolarHBondContact O-N 2.85Å | ||
| 275 | S | 21.4 | Very low | 25.3 | Very low | 120 Ų | 120 | 122.1 Ų | 122.1 | 84% | 0.839 | 76% | 0.757 | S | S | * | * | trans | -55.4 | 105 | 171.7 | 172.3 | 0 | 0 | 0 | 0 | 109.6 | I273 A277 | I273-S275 PolarHBondContact O-N 3.16Å; S275-A277 PolarHBondContact O-N 3.08Å | ||
| 276 | V | 24.7 | Very low | 25.3 | Very low | 136 Ų | 136 | 120.8 Ų | 120.8 | 82% | 0.824 | 76% | 0.759 | S | S | * | * | trans | -87.6 | 107.2 | 168.9 | -177.4 | 0 | 0 | 0 | 0 | 107.4 | A274 | A274-V276 PolarHBondContact O-N 2.85Š| ||
| 277 | A | 24.1 | Very low | 25.3 | Very low | 77 Ų | 77 | 121 Ų | 121 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | trans | -51.2 | 135.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S275 S279 | S275-A277 PolarHBondContact O-N 3.08Å; A277-S279 PolarHBondContact O-N 2.75Å; A277-S279 VanDerWaalsContact O-N 3.17Å | ||
| 278 | T | 23.8 | Very low | 25.3 | Very low | 146 Ų | 146 | 122.4 Ų | 122.4 | 90% | 0.896 | 77% | 0.769 | S | S | * | * | trans | -53.9 | 107.7 | 165.5 | 40.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 279 | S | 27.1 | Very low | 25.4 | Very low | 115 Ų | 115 | 127 Ų | 127 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | -116.5 | 102.3 | 158.3 | 61.9 | 0 | 0 | 0 | 0 | 108.9 | A277 | A277-S279 PolarHBondContact O-N 2.75Å; A277-S279 VanDerWaalsContact O-N 3.17Å | ||
| 280 | S | 26.4 | Very low | 25.5 | Very low | 118 Ų | 118 | 132.7 Ų | 132.7 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | trans | -61.3 | 133.9 | 168.4 | 44.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 281 | S | 26.6 | Very low | 25.5 | Very low | 96 Ų | 96 | 138.1 Ų | 138.1 | 67% | 0.671 | 79% | 0.792 | S | S | * | * | trans | 173 | 109.2 | 148.9 | 162.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 282 | R | 27.9 | Very low | 25.5 | Very low | 236 Ų | 236 | 138.4 Ų | 138.4 | 89% | 0.891 | 79% | 0.793 | S | S | * | * | trans | 84.4 | 86.7 | 139.6 | -60.6 | 175.7 | -170.8 | -139.4 | 1 | 120.9 | ||||
| 283 | Q | 28.3 | Very low | 25.7 | Very low | 157 Ų | 157 | 141 Ų | 141 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | 10.8 | 140.5 | 125.8 | -79 | -175.8 | 2.9 | 0 | 0 | 123.1 | |||||
| 284 | N | 26 | Very low | 25.8 | Very low | 141 Ų | 141 | 140.7 Ų | 140.7 | 75% | 0.754 | 80% | 0.798 | S | S | * | * | trans | 86 | 106.7 | 137.2 | -62.8 | -16.5 | 0 | 0 | 0 | 121.7 | ||||
| 285 | A | 26.1 | Very low | 26.1 | Very low | 97 Ų | 97 | 141 Ų | 141 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | -166 | 111.4 | 119.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 286 | A | 25 | Very low | 26.5 | Very low | 94 Ų | 94 | 143.7 Ų | 143.7 | 78% | 0.777 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 129.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | T288 | A286-T288 PolarHBondContact O-N 3.24Š|
| 287 | P | 28.1 | Very low | 26.9 | Very low | 122 Ų | 122 | 141.1 Ų | 141.1 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 128.4 | -179.8 | 24.6 | -30.1 | 0 | 0 | 0 | 108.7 | K289 | P287-K289 PolarHBondContact O-N 3.36Å; P287-K289 VanDerWaalsContact O-N 3.15Å |
| 288 | T | 25.7 | Very low | 27.4 | Very low | 132 Ų | 132 | 142 Ų | 142 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -48.3 | 123.4 | 171.1 | -40.5 | 0 | 0 | 0 | 0 | 108 | A286 K290 | A286-T288 PolarHBondContact O-N 3.24Å; T288-K290 PolarHBondContact O-N 2.97Å |
| 289 | K | 26.4 | Very low | 27.7 | Very low | 206 Ų | 206 | 140.4 Ų | 140.4 | 90% | 0.896 | 78% | 0.78 | S | S | * | * | trans | -59.2 | 81.9 | 169.7 | -74.3 | -179.2 | 176.8 | 179.6 | 0 | 108.6 | P287 R291 | P287-K289 PolarHBondContact O-N 3.36Å; P287-K289 VanDerWaalsContact O-N 3.15Å; K289-R291 VanDerWaalsContact C-N 3.32Å; K289-R291 PolarHBondContact O-N 2.96Å | ||
| 290 | K | 26.7 | Very low | 28.1 | Very low | 193 Ų | 193 | 139 Ų | 139 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | trans | -64.7 | 104.4 | 156.3 | -85.5 | -172.5 | 176.6 | -179.2 | 0 | 104.4 | T288 V292 | T288-K290 PolarHBondContact O-N 2.97Å; K290-V292 VanDerWaalsContact C-N 3.31Å; K290-V292 PolarHBondContact O-N 2.88Å | ||
| 291 | R | 24.8 | Very low | 28.8 | Very low | 239 Ų | 239 | 138.7 Ų | 138.7 | 90% | 0.902 | 77% | 0.769 | S | S | * | * | trans | -49.1 | 106.3 | 159.2 | -90.4 | -178.5 | 167.6 | -174.2 | -3 | 105.5 | K289 K293 | K289-R291 VanDerWaalsContact C-N 3.32Å; K289-R291 PolarHBondContact O-N 2.96Å; R291-K293 VanDerWaalsContact C-N 3.35Å; R291-K293 PolarHBondContact O-N 2.74Å | ||
| 292 | V | 25.3 | Very low | 30 | Very low | 126 Ų | 126 | 136.8 Ų | 136.8 | 76% | 0.764 | 75% | 0.751 | S | S | * | * | trans | -54.9 | 110.5 | 160.8 | 175.3 | 0 | 0 | 0 | 0 | 103.9 | K290 T294 | K290-V292 VanDerWaalsContact C-N 3.31Å; K290-V292 PolarHBondContact O-N 2.88Å; V292-T294 VanDerWaalsContact C-N 3.32Å; V292-T294 PolarHBondContact O-N 2.92Å | ||
| 293 | K | 25.5 | Very low | 31.6 | Very low | 191 Ų | 191 | 130.2 Ų | 130.2 | 83% | 0.83 | 73% | 0.73 | S | S | * | * | trans | -55.8 | 109.6 | 162.5 | -87.5 | -178.6 | 173.4 | -178.1 | 0 | 103.8 | R291 S295 | R291-K293 VanDerWaalsContact C-N 3.35Å; R291-K293 PolarHBondContact O-N 2.74Å; K293-S295 PolarHBondContact O-N 2.93Å | ||
| 294 | T | 28.1 | Very low | 33.2 | Very low | 134 Ų | 134 | 126.2 Ų | 126.2 | 82% | 0.822 | 71% | 0.709 | S | S | * | * | trans | -60.9 | 86.6 | 162.9 | 37.4 | 0 | 0 | 0 | 0 | 105.9 | V292 | V292-T294 VanDerWaalsContact C-N 3.32Å; V292-T294 PolarHBondContact O-N 2.92Å | ||
| 295 | S | 29.9 | Very low | 34.9 | Very low | 86 Ų | 86 | 121.7 Ų | 121.7 | 60% | 0.601 | 69% | 0.691 | S | S | * | * | trans | -57 | 136.2 | 160.9 | 44.8 | 0 | 0 | 0 | 0 | 107 | K293 | K293-S295 PolarHBondContact O-N 2.93Š| ||
| 296 | E | 29.9 | Very low | 36.8 | Very low | 175 Ų | 175 | 121.3 Ų | 121.3 | 82% | 0.818 | 67% | 0.673 | S | S | * | * | trans | -49.9 | 134.2 | 171 | -70.7 | 177.5 | 146.6 | 0 | 0 | 109 | T298 | E296-T298 PolarHBondContact O-N 3.49Š| ||
| 297 | P | 34 | Very low | 39 | Very low | 82 Ų | 82 | 117.4 Ų | 117.4 | 53% | 0.532 | 64% | 0.638 | S | S | . | * | trans | -59.7 | 112.3 | -179.5 | 23.6 | -31 | 0 | 0 | 0 | 108.1 | ||||
| 298 | T | 33.3 | Very low | 40.8 | Very low | 97 Ų | 97 | 112.5 Ų | 112.5 | 60% | 0.595 | 61% | 0.608 | S | S | * | * | trans | -62.3 | 136.6 | 174 | -34.1 | 0 | 0 | 0 | 0 | 107.4 | E296 G300 Q301 | E296-T298 PolarHBondContact O-N 3.49Å; T298-G300 PolarHBondContact O-N 3.46Å; T298-Q301 PolarHBondContact O-N 2.92Å | ||
| 299 | A | 30.7 | Very low | 42.5 | Very low | 111 Ų | 111 | 109.7 Ų | 109.7 | 92% | 0.917 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.7 | 108 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 300 | G | 35.9 | Very low | 44.1 | Very low | 86 Ų | 86 | 106.6 Ų | 106.6 | 89% | 0.887 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 123.3 | -15.7 | -170.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | T298 L302 | T298-G300 PolarHBondContact O-N 3.46Å; G300-L302 PolarHBondContact O-N 2.93Å |
| 301 | Q | 41.2 | Very low | 45.4 | Very low | 111 Ų | 111 | 99 Ų | 99 | 52% | 0.519 | 54% | 0.544 | S | S | . | . | trans | -79.9 | 109.4 | 169.3 | -78.6 | -173.6 | -16 | 0 | 0 | 110.1 | T298 H303 | T298-Q301 PolarHBondContact O-N 2.92Å; Q301-H303 PolarHBondContact O-N 2.92Å | ||
| 302 | L | 51.4 | Low | 46.3 | Very low | 57 Ų | 57 | 90 Ų | 90 | 30% | 0.298 | 53% | 0.526 | S | S | . | . | trans | -49.7 | 108.8 | 171.4 | -160.6 | 126.6 | 0 | 0 | 0 | 108.9 | G300 W304 Y307 L339 I347 | G300-L302 PolarHBondContact O-N 2.93Å; L302-W304 HydrophobicContact CD2-CB 4.47Å; L302-W304 PolarHBondContact O-N 3.11Å; L302-Y307 HydrophobicContact CD2-CE2 4.44Å; L302-L339 HydrophobicContact CD2-CB 4.11Å; L302-L339 HydrophobicContact CD2-CD1 3.58Å; L302-L339 HydrophobicContact CD2-CG 4.5Å; L302-I347 HydrophobicContact CD1-CB 4.28Å; L302-I347 HydrophobicContact CD1-CD1 3.91Å; L302-I347 HydrophobicContact CD1-CG2 3.39Å; L302-I347 HydrophobicContact CD2-CD1 4.19Å; L302-I347 HydrophobicContact CG-CD1 4.43Å; L302-I347 HydrophobicContact CG-CG2 3.98Å | ||
| 303 | H | 60.4 | Low | 47.1 | Very low | 97 Ų | 97 | 90.7 Ų | 90.7 | 45% | 0.449 | 52% | 0.519 | S | S | . | . | trans | -74.9 | 69.8 | -177.5 | -168.6 | -88.8 | 0 | 0 | 0 | 109.4 | Q301 A305 Q306 | Q301-H303 PolarHBondContact O-N 2.92Å; H303-A305 PolarHBondContact O-N 3.31Å; H303-Q306 WeakPolarHBondContact O-CB 3.48Å; H303-Q306 WeakPolarHBondContact O-CG 3.47Å; H303-Q306 PolarHBondContact O-N 3.2Å | ||
| 304 | W | 63 | Low | 48 | Very low | 74 Ų | 74 | 84.8 Ų | 84.8 | 28% | 0.28 | 51% | 0.512 | S | S | . | . | G | 310 helix | trans | -47.8 | -31.4 | -174.9 | 59.9 | -93.8 | 0 | 0 | 0 | 112.7 | L302 Q306 Y307 A308 F317 L332 F335 Q336 L339 | L302-W304 HydrophobicContact CD2-CB 4.47Å; L302-W304 PolarHBondContact O-N 3.11Å; W304-Q306 PolarHBondContact O-N 3.14Å; W304-Q306 VanDerWaalsContact O-N 3.11Å; W304-Y307 CarbonylContact O-C 3.52Å; W304-Y307 PolarHBondContact O-N 3.42Å; W304-A308 HydrophobicContact CE3-CB 4.1Å; W304-A308 HydrophobicContact CZ3-CB 4.27Å; W304-A308 PolarHBondContact O-N 3.16Å; W304-A308 VanDerWaalsContact O-N 3.14Å; W304-F317 HydrophobicContact CZ3-CD1 4.38Å; W304-F317 HydrophobicContact CZ3-CE1 4.18Å; W304-L332 HydrophobicContact CD2-CD2 4.04Å; W304-L332 HydrophobicContact CE3-CD2 3.73Å; W304-L332 HydrophobicContact CH2-CD1 4.32Å; W304-L332 HydrophobicContact CH2-CD2 3.47Å; W304-L332 VanDerWaalsContact CH2-CD2 3.47Å; W304-L332 HydrophobicContact CZ2-CD1 4.04Å; W304-L332 HydrophobicContact CZ2-CD2 3.77Å; W304-L332 HydrophobicContact CZ3-CD2 3.45Å; W304-L332 VanDerWaalsContact CZ3-CD2 3.45Å; W304-F335 HydrophobicContact CB-CD1 4.18Å; W304-F335 HydrophobicContact CB-CE1 4.01Å; W304-F335 HydrophobicContact CE3-CD1 4.28Å; W304-F335 HydrophobicContact CE3-CE1 4.3Å; W304-F335 WeakPolarHBondContact O-CE1 3.43Å; W304-Q336 HydrophobicContact CB-CG 4.41Å; W304-L339 HydrophobicContact CB-CD1 4.07Å |
| 305 | A | 61.6 | Low | 49 | Very low | 46 Ų | 46 | 85.2 Ų | 85.2 | 38% | 0.38 | 51% | 0.505 | S | S | . | . | G | 310 helix | trans | -59.4 | -21.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | H303 Y307 | H303-A305 PolarHBondContact O-N 3.31Å; A305-Y307 VanDerWaalsContact C-N 3.31Å |
| 306 | Q | 66.3 | Low | 49.8 | Very low | 89 Ų | 89 | 81.3 Ų | 81.3 | 42% | 0.416 | 48% | 0.477 | S | S | . | . | G | 310 helix | trans | -75 | -22.8 | 174.3 | 79.5 | -163 | -15.5 | 0 | 0 | 113.4 | H303 W304 K320 | H303-Q306 WeakPolarHBondContact O-CB 3.48Å; H303-Q306 WeakPolarHBondContact O-CG 3.47Å; H303-Q306 PolarHBondContact O-N 3.2Å; W304-Q306 PolarHBondContact O-N 3.14Å; W304-Q306 VanDerWaalsContact O-N 3.11Å; Q306-K320 WeakPolarHBondContact O-CD 3.4Å |
| 307 | Y | 71.4 | Confident | 51.3 | Low | 11 Ų | 11 | 74.8 Ų | 74.8 | 4% | 0.043 | 45% | 0.446 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | -3.1 | 179 | -51.2 | -68.4 | 0 | 0 | 0 | 112.6 | L302 W304 A305 K320 L321 F335 L339 I347 L350 | L302-Y307 HydrophobicContact CD2-CE2 4.44Å; W304-Y307 CarbonylContact O-C 3.52Å; W304-Y307 PolarHBondContact O-N 3.42Å; A305-Y307 VanDerWaalsContact C-N 3.31Å; Y307-K320 WeakPolarHBondContact O-CB 3.46Å; Y307-K320 PolarHBondContact O-N 3.27Å; Y307-L321 HydrophobicContact CD1-CD1 3.59Å; Y307-L321 HydrophobicContact CD1-CD2 4.05Å; Y307-L321 HydrophobicContact CD1-CG 3.79Å; Y307-L321 HydrophobicContact CE1-CD1 3.98Å; Y307-L321 HydrophobicContact CE1-CD2 4.36Å; Y307-L321 HydrophobicContact CE1-CG 4.43Å; Y307-L321 HydrophobicContact CG-CD1 4.23Å; Y307-F335 WeakPolarHBondContact O-CZ 3.11Å; Y307-L339 HydrophobicContact CD2-CD1 3.78Å; Y307-L339 HydrophobicContact CD2-CD2 4.21Å; Y307-L339 HydrophobicContact CG-CD1 4.27Å; Y307-L339 HydrophobicContact CG-CD2 4.03Å; Y307-I347 HydrophobicContact CE1-CG1 4.28Å; Y307-I347 HydrophobicContact CE2-CD1 4.15Å; Y307-I347 HydrophobicContact CE2-CG1 3.9Å; Y307-I347 HydrophobicContact CE2-CG2 4.23Å; Y307-L350 HydrophobicContact CE1-CD1 4.15Å; Y307-L350 WeakPolarHBondContact OH-CD1 3.37Å |
| 308 | A | 65.3 | Low | 52.7 | Low | 20 Ų | 20 | 71.4 Ų | 71.4 | 17% | 0.165 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 131.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | W304 F317 F335 | W304-A308 HydrophobicContact CE3-CB 4.1Å; W304-A308 HydrophobicContact CZ3-CB 4.27Å; W304-A308 PolarHBondContact O-N 3.16Å; W304-A308 VanDerWaalsContact O-N 3.14Å; A308-F317 HydrophobicContact CB-CB 4.14Å; A308-F317 HydrophobicContact CB-CD1 4.16Å; A308-F317 HydrophobicContact CB-CG 4.46Å; A308-F335 HydrophobicContact CB-CD1 4.47Å; A308-F335 HydrophobicContact CB-CE1 3.69Å; A308-F335 HydrophobicContact CB-CZ 3.88Å |
| 309 | I | 60.9 | Low | 54.3 | Low | 73 Ų | 73 | 66.8 Ų | 66.8 | 37% | 0.374 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 122.9 | 165.9 | -57.1 | 174.7 | 0 | 0 | 0 | 107.6 | A311 F317 V318 K320 | I309-A311 PolarHBondContact O-N 3.5Å; I309-F317 CarbonylContact O-C 3.59Å; I309-F317 WeakPolarHBondContact O-CA 3.45Å; I309-V318 HydrophobicContact CB-CB 4.33Å; I309-V318 PolarHBondContact N-O 3.34Å; I309-V318 PolarHBondContact O-N 3.29Å; I309-K320 HydrophobicContact CD1-CB 4.15Å; I309-K320 HydrophobicContact CD1-CG 4.18Å; I309-K320 HydrophobicContact CG1-CB 3.98Å; I309-K320 HydrophobicContact CG1-CG 4.27Å |
| 310 | Y | 61.1 | Low | 56.4 | Low | 140 Ų | 140 | 67.6 Ų | 67.6 | 55% | 0.549 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 118 | 176.9 | -172.4 | -104.4 | 0 | 0 | 0 | 110.4 | G312 F317 | Y310-G312 VanDerWaalsContact C-N 3.32Å; Y310-G312 VanDerWaalsContact CE1-CA 3.49Å; Y310-G312 PolarHBondContact O-N 2.73Å; Y310-F317 HydrophobicContact CD2-CD1 4.33Å; Y310-F317 HydrophobicContact CD2-CE1 4.09Å |
| 311 | A | 53.7 | Low | 58.2 | Low | 35 Ų | 35 | 66.6 Ų | 66.6 | 29% | 0.289 | 35% | 0.353 | S | S | . | . | trans | -85 | 0.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | I309 F313 S316 V318 | I309-A311 PolarHBondContact O-N 3.5Å; A311-F313 WeakPolarHBondContact O-CD2 3.25Å; A311-F313 PolarHBondContact O-N 2.81Å; A311-S316 WeakPolarHBondContact CB-OG 3.23Å; A311-S316 PolarHBondContact N-O 2.96Å; A311-V318 HydrophobicContact CB-CG2 3.54Å | ||
| 312 | G | 42.7 | Very low | 59.4 | Low | 50 Ų | 50 | 64.3 Ų | 64.3 | 52% | 0.515 | 35% | 0.348 | S | S | . | . | S | Bend | trans | 76.6 | -21 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y310 | Y310-G312 VanDerWaalsContact C-N 3.32Å; Y310-G312 VanDerWaalsContact CE1-CA 3.49Å; Y310-G312 PolarHBondContact O-N 2.73Å |
| 313 | F | 42.8 | Very low | 60.1 | Low | 140 Ų | 140 | 62.5 Ų | 62.5 | 61% | 0.614 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -99.1 | 113 | -179.5 | -72.7 | -84.3 | 0 | 0 | 0 | 111.9 | A311 E315 S316 | A311-F313 WeakPolarHBondContact O-CD2 3.25Å; A311-F313 PolarHBondContact O-N 2.81Å; F313-E315 PolarHBondContact O-N 3.25Å; F313-S316 VanDerWaalsContact O-CB 3.22Å; F313-S316 WeakPolarHBondContact O-CB 3.4Å; F313-S316 PolarHBondContact O-N 2.78Å; F313-S316 PolarHBondContact O-OG 3.46Å |
| 314 | G | 45.1 | Very low | 59.7 | Low | 66 Ų | 66 | 62.2 Ų | 62.2 | 68% | 0.68 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | 37.3 | 166.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | S316 | G314-S316 PolarHBondContact O-N 3.37Š|
| 315 | E | 48.9 | Very low | 59 | Low | 144 Ų | 144 | 65.7 Ų | 65.7 | 67% | 0.673 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61 | 25.9 | -175.8 | -55.5 | -178.3 | 163.9 | 0 | 0 | 114 | F313 F317 | F313-E315 PolarHBondContact O-N 3.25Å; E315-F317 WeakPolarHBondContact O-CE2 3.24Å |
| 316 | S | 47.3 | Very low | 58.7 | Low | 4 Ų | 4 | 64.5 Ų | 64.5 | 3% | 0.028 | 36% | 0.358 | C | S | . | . | trans | -79.3 | 146.4 | 178.4 | 69.6 | 0 | 0 | 0 | 0 | 113.6 | A311 F313 G314 F329 | A311-S316 WeakPolarHBondContact CB-OG 3.23Å; A311-S316 PolarHBondContact N-O 2.96Å; F313-S316 VanDerWaalsContact O-CB 3.22Å; F313-S316 WeakPolarHBondContact O-CB 3.4Å; F313-S316 PolarHBondContact O-N 2.78Å; F313-S316 PolarHBondContact O-OG 3.46Å; G314-S316 PolarHBondContact O-N 3.37Å; S316-F329 CarbonylContact C-O 3.3Å; S316-F329 VanDerWaalsContact CA-O 3.32Å; S316-F329 WeakPolarHBondContact CA-O 3.41Å | ||
| 317 | F | 60.4 | Low | 58.4 | Low | 37 Ų | 37 | 66.6 Ų | 66.6 | 16% | 0.162 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 142.3 | 175 | -48.3 | -84.5 | 0 | 0 | 0 | 110.2 | W304 A308 I309 Y310 E315 P328 F329 L332 | W304-F317 HydrophobicContact CZ3-CD1 4.38Å; W304-F317 HydrophobicContact CZ3-CE1 4.18Å; A308-F317 HydrophobicContact CB-CB 4.14Å; A308-F317 HydrophobicContact CB-CD1 4.16Å; A308-F317 HydrophobicContact CB-CG 4.46Å; I309-F317 CarbonylContact O-C 3.59Å; I309-F317 WeakPolarHBondContact O-CA 3.45Å; Y310-F317 HydrophobicContact CD2-CD1 4.33Å; Y310-F317 HydrophobicContact CD2-CE1 4.09Å; E315-F317 WeakPolarHBondContact O-CE2 3.24Å; F317-P328 CarbonylContact O-C 3.15Å; F317-P328 WeakPolarHBondContact O-CA 3.27Å; F317-F329 PolarHBondContact N-O 3.32Å; F317-F329 PolarHBondContact O-N 3.46Å; F317-L332 HydrophobicContact CD2-CD2 4.07Å; F317-L332 HydrophobicContact CE2-CD2 3.63Å; F317-L332 HydrophobicContact CE2-CG 4.24Å; F317-L332 HydrophobicContact CZ-CD2 3.93Å |
| 318 | V | 62.4 | Low | 58 | Low | 12 Ų | 12 | 68.7 Ų | 68.7 | 7% | 0.073 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 141.5 | 175.1 | 177 | 0 | 0 | 0 | 0 | 107.8 | I309 A311 K320 G323 S326 P328 | I309-V318 HydrophobicContact CB-CB 4.33Å; I309-V318 PolarHBondContact N-O 3.34Å; I309-V318 PolarHBondContact O-N 3.29Å; A311-V318 HydrophobicContact CB-CG2 3.54Å; V318-K320 PolarHBondContact O-N 3.22Å; V318-G323 VanDerWaalsContact CG1-O 3.28Å; V318-G323 WeakPolarHBondContact CG1-O 3.27Å; V318-S326 WeakPolarHBondContact CG1-OG 3.45Å; V318-P328 HydrophobicContact CG2-CB 4.34Å |
| 319 | C | 67.2 | Low | 57.9 | Low | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 118.5 | 179.3 | -176.1 | 0 | 0 | 0 | 0 | 110.2 | L321 C322 G323 S326 F329 F335 H338 | C319-L321 PolarHBondContact O-N 3.31Å; C319-L321 PolarHBondContact SG-N 3.14Å; C319-C322 HydrophobicContact CB-CB 3.91Å; C319-C322 PolarHBondContact O-N 2.8Å; C319-G323 PolarHBondContact O-N 3.46Å; C319-S326 PolarHBondContact N-OG 2.84Å; C319-S326 PolarHBondContact O-OG 2.9Å; C319-F329 HydrophobicContact CB-CE2 4.25Å; C319-F335 HydrophobicContact CB-CE2 3.83Å; C319-H338 WeakPolarHBondContact CB-NE2 3.04Å; C319-H338 PolarHBondContact SG-NE2 3.3Å |
| 320 | K | 75.4 | Confident | 57.6 | Low | 128 Ų | 128 | 71.1 Ų | 71.1 | 56% | 0.557 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -33.7 | 175.7 | -171.9 | 179.9 | 178.2 | -174.7 | 0 | 111.9 | Q306 Y307 I309 V318 G323 | Q306-K320 WeakPolarHBondContact O-CD 3.4Å; Y307-K320 WeakPolarHBondContact O-CB 3.46Å; Y307-K320 PolarHBondContact O-N 3.27Å; I309-K320 HydrophobicContact CD1-CB 4.15Å; I309-K320 HydrophobicContact CD1-CG 4.18Å; I309-K320 HydrophobicContact CG1-CB 3.98Å; I309-K320 HydrophobicContact CG1-CG 4.27Å; V318-K320 PolarHBondContact O-N 3.22Å; K320-G323 PolarHBondContact O-N 3.1Å |
| 321 | L | 73.9 | Confident | 57.5 | Low | 65 Ų | 65 | 67.4 Ų | 67.4 | 34% | 0.34 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -37 | 179.6 | -59.4 | 172.7 | 0 | 0 | 0 | 111.9 | Y307 C319 G323 L339 H343 | Y307-L321 HydrophobicContact CD1-CD1 3.59Å; Y307-L321 HydrophobicContact CD1-CD2 4.05Å; Y307-L321 HydrophobicContact CD1-CG 3.79Å; Y307-L321 HydrophobicContact CE1-CD1 3.98Å; Y307-L321 HydrophobicContact CE1-CD2 4.36Å; Y307-L321 HydrophobicContact CE1-CG 4.43Å; Y307-L321 HydrophobicContact CG-CD1 4.23Å; C319-L321 PolarHBondContact O-N 3.31Å; C319-L321 PolarHBondContact SG-N 3.14Å; L321-G323 VanDerWaalsContact C-N 3.29Å; L321-L339 HydrophobicContact CD1-CD2 4.17Å; L321-H343 WeakPolarHBondContact CB-CE1 3.42Å; L321-H343 WeakPolarHBondContact CB-ND1 3.42Å; L321-H343 HydrophobicContact CD1-CB 3.51Å |
| 322 | C | 67.2 | Low | 57.7 | Low | 62 Ų | 62 | 68.8 Ų | 68.8 | 42% | 0.419 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -14.6 | 172.3 | -68.1 | 0 | 0 | 0 | 0 | 113.7 | C319 H338 H343 | C319-C322 HydrophobicContact CB-CB 3.91Å; C319-C322 PolarHBondContact O-N 2.8Å; C322-H338 PolarHBondContact SG-CE1 3.21Å; C322-H338 PolarHBondContact SG-NE2 3.42Å; C322-H343 PolarHBondContact SG-NE2 3.44Å |
| 323 | G | 64.8 | Low | 58.7 | Low | 19 Ų | 19 | 71.9 Ų | 71.9 | 20% | 0.196 | 39% | 0.391 | C | S | . | . | trans | 86.5 | 174.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | V318 C319 K320 L321 E325 S326 | V318-G323 VanDerWaalsContact CG1-O 3.28Å; V318-G323 WeakPolarHBondContact CG1-O 3.27Å; C319-G323 PolarHBondContact O-N 3.46Å; K320-G323 PolarHBondContact O-N 3.1Å; L321-G323 VanDerWaalsContact C-N 3.29Å; G323-E325 PolarHBondContact O-N 3.35Å; G323-S326 WeakPolarHBondContact O-CB 3.04Å; G323-S326 PolarHBondContact O-N 3.44Å; G323-S326 VanDerWaalsContact O-N 3.14Å; G323-S326 PolarHBondContact O-OG 3.48Å | ||
| 324 | P | 52.7 | Low | 59.7 | Low | 92 Ų | 92 | 66.3 Ų | 66.3 | 60% | 0.597 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -19.1 | -171.7 | 26.7 | -34.8 | 0 | 0 | 0 | 114.4 | S326 | P324-S326 VanDerWaalsContact C-N 3.27Š|
| 325 | E | 46.9 | Very low | 60.7 | Low | 146 Ų | 146 | 63.2 Ų | 63.2 | 68% | 0.682 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -1.6 | 177.4 | -61.7 | -59.9 | 145.7 | 0 | 0 | 113.1 | G323 | G323-E325 PolarHBondContact O-N 3.35Š|
| 326 | S | 56.6 | Low | 61.4 | Low | 21 Ų | 21 | 59.8 Ų | 59.8 | 15% | 0.147 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -73.6 | 155.8 | -179.1 | 66.2 | 0 | 0 | 0 | 0 | 113.1 | V318 C319 G323 P324 | V318-S326 WeakPolarHBondContact CG1-OG 3.45Å; C319-S326 PolarHBondContact N-OG 2.84Å; C319-S326 PolarHBondContact O-OG 2.9Å; G323-S326 WeakPolarHBondContact O-CB 3.04Å; G323-S326 PolarHBondContact O-N 3.44Å; G323-S326 VanDerWaalsContact O-N 3.14Å; G323-S326 PolarHBondContact O-OG 3.48Å; P324-S326 VanDerWaalsContact C-N 3.27Å |
| 327 | F | 58.8 | Low | 62.4 | Low | 134 Ų | 134 | 66.2 Ų | 66.2 | 59% | 0.588 | 35% | 0.352 | S | S | * | . | P | Polyproline II helix | trans | -57.6 | 128.6 | -178.7 | -176.1 | -93.8 | 0 | 0 | 0 | 110.9 | F329 | F327-F329 VanDerWaalsContact O-CD2 3.24Å; F327-F329 WeakPolarHBondContact O-CD2 3.46Å; F327-F329 VanDerWaalsContact O-CE2 3.25Å; F327-F329 WeakPolarHBondContact O-CE2 3.46Å; F327-F329 PolarHBondContact O-N 2.84Å |
| 328 | P | 63.7 | Low | 63.1 | Low | 54 Ų | 54 | 65.5 Ų | 65.5 | 35% | 0.351 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 123.2 | 178.1 | 27 | -32.6 | 0 | 0 | 0 | 111 | F317 V318 | F317-P328 CarbonylContact O-C 3.15Å; F317-P328 WeakPolarHBondContact O-CA 3.27Å; V318-P328 HydrophobicContact CG2-CB 4.34Å |
| 329 | F | 63.2 | Low | 63.4 | Low | 29 Ų | 29 | 65 Ų | 65 | 13% | 0.127 | 35% | 0.346 | C | S | . | . | B | Isolated β-bridge | trans | -83.8 | 115.1 | 174.9 | -62 | -90.3 | 0 | 0 | 0 | 110.2 | S316 F317 C319 F327 C331 F335 H338 | S316-F329 CarbonylContact C-O 3.3Å; S316-F329 VanDerWaalsContact CA-O 3.32Å; S316-F329 WeakPolarHBondContact CA-O 3.41Å; F317-F329 PolarHBondContact N-O 3.32Å; F317-F329 PolarHBondContact O-N 3.46Å; C319-F329 HydrophobicContact CB-CE2 4.25Å; F327-F329 VanDerWaalsContact O-CD2 3.24Å; F327-F329 WeakPolarHBondContact O-CD2 3.46Å; F327-F329 VanDerWaalsContact O-CE2 3.25Å; F327-F329 WeakPolarHBondContact O-CE2 3.46Å; F327-F329 PolarHBondContact O-N 2.84Å; F329-C331 VanDerWaalsContact C-N 3.31Å; F329-F335 HydrophobicContact CB-CB 3.83Å; F329-F335 HydrophobicContact CB-CD2 4.24Å; F329-F335 HydrophobicContact CB-CG 4.42Å; F329-F335 HydrophobicContact CD1-CB 4.19Å; F329-F335 HydrophobicContact CD1-CD2 4.45Å; F329-F335 HydrophobicContact CD2-CB 4.48Å; F329-F335 AromaticContact CD2-CD2 3.49Å; F329-F335 HydrophobicContact CD2-CD2 3.49Å; F329-F335 VanDerWaalsContact CD2-CD2 3.49Å; F329-F335 HydrophobicContact CD2-CE2 4.23Å; F329-F335 HydrophobicContact CD2-CG 4.43Å; F329-F335 AromaticContact CE2-CD2 3.92Å; F329-F335 HydrophobicContact CE2-CD2 3.92Å; F329-F335 HydrophobicContact CE2-CE2 4.43Å; F329-F335 HydrophobicContact CG-CB 3.91Å; F329-F335 AromaticContact CG-CD2 3.8Å; F329-F335 HydrophobicContact CG-CD2 3.8Å; F329-F335 HydrophobicContact CG-CG 4.34Å; F329-H338 HydrophobicContact CD1-CB 4.5Å; F329-H338 HydrophobicContact CE1-CB 3.49Å; F329-H338 VanDerWaalsContact CE1-CB 3.49Å; F329-H338 AromaticContact CE1-CG 3.89Å; F329-H338 HydrophobicContact CE2-CB 4.4Å; F329-H338 AromaticContact CE2-CD2 3.82Å; F329-H338 HydrophobicContact CZ-CB 3.43Å; F329-H338 VanDerWaalsContact CZ-CB 3.43Å; F329-H338 AromaticContact CZ-CD2 3.56Å; F329-H338 AromaticContact CZ-CG 3.26Å; F329-H338 AromaticContact CZ-ND1 3.75Å |
| 330 | L | 55.4 | Low | 63.4 | Low | 115 Ų | 115 | 69.1 Ų | 69.1 | 60% | 0.602 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -84.7 | -3.8 | 176.4 | -67.6 | 166.3 | 0 | 0 | 0 | 113.3 | ||
| 331 | C | 59 | Low | 63.1 | Low | 63 Ų | 63 | 68.5 Ų | 68.5 | 43% | 0.426 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -139.3 | 140.6 | 178.8 | 63.2 | 0 | 0 | 0 | 0 | 110.6 | F329 D333 G334 F335 | F329-C331 VanDerWaalsContact C-N 3.31Å; C331-D333 VanDerWaalsContact C-N 3.31Å; C331-D333 PolarHBondContact O-N 2.67Å; C331-G334 PolarHBondContact O-N 3.44Å; C331-G334 PolarHBondContact SG-N 2.97Å; C331-G334 VanDerWaalsContact SG-N 3.41Å; C331-F335 PolarHBondContact O-N 2.88Å |
| 332 | L | 56.7 | Low | 63 | Low | 63 Ų | 63 | 72.3 Ų | 72.3 | 33% | 0.33 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.9 | -38.5 | 178.4 | -67.9 | 174.5 | 0 | 0 | 0 | 111.7 | W304 F317 G334 F335 Q336 | W304-L332 HydrophobicContact CD2-CD2 4.04Å; W304-L332 HydrophobicContact CE3-CD2 3.73Å; W304-L332 HydrophobicContact CH2-CD1 4.32Å; W304-L332 HydrophobicContact CH2-CD2 3.47Å; W304-L332 VanDerWaalsContact CH2-CD2 3.47Å; W304-L332 HydrophobicContact CZ2-CD1 4.04Å; W304-L332 HydrophobicContact CZ2-CD2 3.77Å; W304-L332 HydrophobicContact CZ3-CD2 3.45Å; W304-L332 VanDerWaalsContact CZ3-CD2 3.45Å; F317-L332 HydrophobicContact CD2-CD2 4.07Å; F317-L332 HydrophobicContact CE2-CD2 3.63Å; F317-L332 HydrophobicContact CE2-CG 4.24Å; F317-L332 HydrophobicContact CZ-CD2 3.93Å; L332-G334 VanDerWaalsContact C-N 3.34Å; L332-G334 PolarHBondContact O-N 2.84Å; L332-F335 WeakPolarHBondContact O-CB 3.35Å; L332-F335 PolarHBondContact O-N 3.13Å; L332-F335 VanDerWaalsContact O-N 3.15Å; L332-Q336 WeakPolarHBondContact O-CG 3.23Å; L332-Q336 PolarHBondContact O-N 2.87Å |
| 333 | D | 63.6 | Low | 63.4 | Low | 116 Ų | 116 | 70.1 Ų | 70.1 | 62% | 0.62 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -61.4 | -41.2 | 178.8 | -58.3 | -7.3 | 0 | 0 | 0 | 112.3 | C331 F335 K337 | C331-D333 VanDerWaalsContact C-N 3.31Å; C331-D333 PolarHBondContact O-N 2.67Å; D333-F335 VanDerWaalsContact C-N 3.34Å; D333-K337 WeakPolarHBondContact O-CG 3.12Å; D333-K337 PolarHBondContact O-N 2.87Å |
| 334 | G | 64.1 | Low | 63.6 | Low | 23 Ų | 23 | 71.8 Ų | 71.8 | 24% | 0.237 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -68 | -37 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | C331 L332 H338 | C331-G334 PolarHBondContact O-N 3.44Å; C331-G334 PolarHBondContact SG-N 2.97Å; C331-G334 VanDerWaalsContact SG-N 3.41Å; L332-G334 VanDerWaalsContact C-N 3.34Å; L332-G334 PolarHBondContact O-N 2.84Å; G334-H338 WeakPolarHBondContact O-CB 3.36Å; G334-H338 PolarHBondContact O-N 3.27Å |
| 335 | F | 67.3 | Low | 64.4 | Low | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -68 | -43.4 | 176.3 | -176.6 | -116 | 0 | 0 | 0 | 112.4 | W304 Y307 A308 C319 F329 C331 L332 D333 H338 L339 | W304-F335 HydrophobicContact CB-CD1 4.18Å; W304-F335 HydrophobicContact CB-CE1 4.01Å; W304-F335 HydrophobicContact CE3-CD1 4.28Å; W304-F335 HydrophobicContact CE3-CE1 4.3Å; W304-F335 WeakPolarHBondContact O-CE1 3.43Å; Y307-F335 WeakPolarHBondContact O-CZ 3.11Å; A308-F335 HydrophobicContact CB-CD1 4.47Å; A308-F335 HydrophobicContact CB-CE1 3.69Å; A308-F335 HydrophobicContact CB-CZ 3.88Å; C319-F335 HydrophobicContact CB-CE2 3.83Å; F329-F335 HydrophobicContact CB-CB 3.83Å; F329-F335 HydrophobicContact CB-CD2 4.24Å; F329-F335 HydrophobicContact CB-CG 4.42Å; F329-F335 HydrophobicContact CD1-CB 4.19Å; F329-F335 HydrophobicContact CD1-CD2 4.45Å; F329-F335 HydrophobicContact CD2-CB 4.48Å; F329-F335 AromaticContact CD2-CD2 3.49Å; F329-F335 HydrophobicContact CD2-CD2 3.49Å; F329-F335 VanDerWaalsContact CD2-CD2 3.49Å; F329-F335 HydrophobicContact CD2-CE2 4.23Å; F329-F335 HydrophobicContact CD2-CG 4.43Å; F329-F335 AromaticContact CE2-CD2 3.92Å; F329-F335 HydrophobicContact CE2-CD2 3.92Å; F329-F335 HydrophobicContact CE2-CE2 4.43Å; F329-F335 HydrophobicContact CG-CB 3.91Å; F329-F335 AromaticContact CG-CD2 3.8Å; F329-F335 HydrophobicContact CG-CD2 3.8Å; F329-F335 HydrophobicContact CG-CG 4.34Å; C331-F335 PolarHBondContact O-N 2.88Å; L332-F335 WeakPolarHBondContact O-CB 3.35Å; L332-F335 PolarHBondContact O-N 3.13Å; L332-F335 VanDerWaalsContact O-N 3.15Å; D333-F335 VanDerWaalsContact C-N 3.34Å; F335-H338 WeakPolarHBondContact O-CB 3.17Å; F335-H338 PolarHBondContact O-N 3.39Å; F335-L339 HydrophobicContact CD1-CD1 4.14Å; F335-L339 HydrophobicContact CE1-CD1 3.58Å; F335-L339 HydrophobicContact CE1-CG 4.24Å; F335-L339 HydrophobicContact CE2-CD2 4.45Å; F335-L339 HydrophobicContact CE2-CG 4.38Å; F335-L339 HydrophobicContact CZ-CD1 3.81Å; F335-L339 HydrophobicContact CZ-CD2 4.14Å; F335-L339 HydrophobicContact CZ-CG 4.06Å; F335-L339 WeakPolarHBondContact O-CG 3.35Å; F335-L339 PolarHBondContact O-N 2.91Å |
| 336 | Q | 63.5 | Low | 65.3 | Low | 72 Ų | 72 | 68.1 Ų | 68.1 | 34% | 0.336 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.3 | -46.8 | 175.2 | -75 | 178.3 | -6.7 | 0 | 0 | 111.5 | W304 L332 H338 L339 D340 | W304-Q336 HydrophobicContact CB-CG 4.41Å; L332-Q336 WeakPolarHBondContact O-CG 3.23Å; L332-Q336 PolarHBondContact O-N 2.87Å; Q336-H338 PolarHBondContact O-N 3.44Å; Q336-L339 WeakPolarHBondContact O-CB 3.28Å; Q336-L339 PolarHBondContact O-N 2.81Å; Q336-D340 VanDerWaalsContact O-CG 3.3Å; Q336-D340 PolarHBondContact O-N 3.42Å |
| 337 | K | 68.1 | Low | 65.6 | Low | 140 Ų | 140 | 68 Ų | 68 | 61% | 0.609 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -58.7 | -37.8 | 174.7 | -75.4 | -178.6 | 179.3 | -174 | 0 | 112.9 | D333 D340 I341 | D333-K337 WeakPolarHBondContact O-CG 3.12Å; D333-K337 PolarHBondContact O-N 2.87Å; K337-D340 PolarHBondContact O-N 3.44Å; K337-I341 WeakPolarHBondContact O-CB 3.14Å; K337-I341 WeakPolarHBondContact O-CD1 3.29Å; K337-I341 WeakPolarHBondContact O-CG1 3.48Å; K337-I341 PolarHBondContact O-N 3.47Å |
| 338 | H | 75.9 | Confident | 65.9 | Low | 22 Ų | 22 | 66.3 Ų | 66.3 | 10% | 0.102 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.4 | -44.4 | 175 | 164.9 | 72.6 | 0 | 0 | 0 | 111.7 | C319 C322 F329 G334 F335 Q336 I341 F342 H343 | C319-H338 WeakPolarHBondContact CB-NE2 3.04Å; C319-H338 PolarHBondContact SG-NE2 3.3Å; C322-H338 PolarHBondContact SG-CE1 3.21Å; C322-H338 PolarHBondContact SG-NE2 3.42Å; F329-H338 HydrophobicContact CD1-CB 4.5Å; F329-H338 HydrophobicContact CE1-CB 3.49Å; F329-H338 VanDerWaalsContact CE1-CB 3.49Å; F329-H338 AromaticContact CE1-CG 3.89Å; F329-H338 HydrophobicContact CE2-CB 4.4Å; F329-H338 AromaticContact CE2-CD2 3.82Å; F329-H338 HydrophobicContact CZ-CB 3.43Å; F329-H338 VanDerWaalsContact CZ-CB 3.43Å; F329-H338 AromaticContact CZ-CD2 3.56Å; F329-H338 AromaticContact CZ-CG 3.26Å; F329-H338 AromaticContact CZ-ND1 3.75Å; G334-H338 WeakPolarHBondContact O-CB 3.36Å; G334-H338 PolarHBondContact O-N 3.27Å; F335-H338 WeakPolarHBondContact O-CB 3.17Å; F335-H338 PolarHBondContact O-N 3.39Å; Q336-H338 PolarHBondContact O-N 3.44Å; H338-I341 PolarHBondContact O-N 3.3Å; H338-F342 AromaticContact ND1-CD2 3.37Å; H338-F342 WeakPolarHBondContact ND1-CD2 3.44Å; H338-F342 AromaticContact ND1-CG 3.99Å; H338-F342 WeakPolarHBondContact O-CB 3.27Å; H338-F342 WeakPolarHBondContact O-CD2 3.44Å; H338-F342 PolarHBondContact O-N 3.26Å; H338-H343 AromaticContact CE1-CD2 3.91Å; H338-H343 AromaticContact CE1-NE2 3.71Å; H338-H343 AromaticContact NE2-CD2 3.5Å; H338-H343 AromaticContact NE2-NE2 3.42Å; H338-H343 PolarHBondContact NE2-NE2 2.92Å |
| 339 | L | 67.5 | Low | 65.6 | Low | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -61.1 | -44.4 | 175 | -69.9 | 178.1 | 0 | 0 | 0 | 111.9 | L302 W304 Y307 L321 F335 Q336 I341 H343 S344 I347 | L302-L339 HydrophobicContact CD2-CB 4.11Å; L302-L339 HydrophobicContact CD2-CD1 3.58Å; L302-L339 HydrophobicContact CD2-CG 4.5Å; W304-L339 HydrophobicContact CB-CD1 4.07Å; Y307-L339 HydrophobicContact CD2-CD1 3.78Å; Y307-L339 HydrophobicContact CD2-CD2 4.21Å; Y307-L339 HydrophobicContact CG-CD1 4.27Å; Y307-L339 HydrophobicContact CG-CD2 4.03Å; L321-L339 HydrophobicContact CD1-CD2 4.17Å; F335-L339 HydrophobicContact CD1-CD1 4.14Å; F335-L339 HydrophobicContact CE1-CD1 3.58Å; F335-L339 HydrophobicContact CE1-CG 4.24Å; F335-L339 HydrophobicContact CE2-CD2 4.45Å; F335-L339 HydrophobicContact CE2-CG 4.38Å; F335-L339 HydrophobicContact CZ-CD1 3.81Å; F335-L339 HydrophobicContact CZ-CD2 4.14Å; F335-L339 HydrophobicContact CZ-CG 4.06Å; F335-L339 WeakPolarHBondContact O-CG 3.35Å; F335-L339 PolarHBondContact O-N 2.91Å; Q336-L339 WeakPolarHBondContact O-CB 3.28Å; Q336-L339 PolarHBondContact O-N 2.81Å; L339-I341 PolarHBondContact O-N 3Å; L339-H343 HydrophobicContact CD2-CB 4.34Å; L339-H343 CarbonylContact O-C 3.57Å; L339-H343 VanDerWaalsContact O-CA 3.27Å; L339-H343 WeakPolarHBondContact O-CA 3.25Å; L339-H343 WeakPolarHBondContact O-CB 3.2Å; L339-H343 PolarHBondContact O-N 3.04Å; L339-S344 PolarHBondContact O-N 3.28Å; L339-I347 HydrophobicContact CB-CD1 3.66Å; L339-I347 HydrophobicContact CD2-CD1 4.13Å; L339-I347 HydrophobicContact CG-CD1 4.33Å |
| 340 | D | 67.3 | Low | 65 | Low | 88 Ų | 88 | 79.3 Ų | 79.3 | 47% | 0.471 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.5 | -38.3 | -179.7 | -63.6 | -22.8 | 0 | 0 | 0 | 112.5 | Q336 K337 S344 | Q336-D340 VanDerWaalsContact O-CG 3.3Å; Q336-D340 PolarHBondContact O-N 3.42Å; K337-D340 PolarHBondContact O-N 3.44Å; D340-S344 WeakPolarHBondContact O-CB 3.03Å; D340-S344 PolarHBondContact O-OG 3.23Å |
| 341 | I | 68.4 | Low | 65.5 | Low | 115 Ų | 115 | 77.5 Ų | 77.5 | 59% | 0.59 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -80.6 | -47 | -176.9 | -66.6 | 167.6 | 0 | 0 | 0 | 111.5 | K337 H338 L339 | K337-I341 WeakPolarHBondContact O-CB 3.14Å; K337-I341 WeakPolarHBondContact O-CD1 3.29Å; K337-I341 WeakPolarHBondContact O-CG1 3.48Å; K337-I341 PolarHBondContact O-N 3.47Å; H338-I341 PolarHBondContact O-N 3.3Å; L339-I341 PolarHBondContact O-N 3Å |
| 342 | F | 72.2 | Confident | 65.9 | Low | 144 Ų | 144 | 78.3 Ų | 78.3 | 63% | 0.632 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -100.6 | -24.8 | -168.5 | -65.8 | -82.4 | 0 | 0 | 0 | 113.5 | H338 | H338-F342 AromaticContact ND1-CD2 3.37Å; H338-F342 WeakPolarHBondContact ND1-CD2 3.44Å; H338-F342 AromaticContact ND1-CG 3.99Å; H338-F342 WeakPolarHBondContact O-CB 3.27Å; H338-F342 WeakPolarHBondContact O-CD2 3.44Å; H338-F342 PolarHBondContact O-N 3.26Å |
| 343 | H | 76.8 | Confident | 66.4 | Low | 17 Ų | 17 | 79.1 Ų | 79.1 | 8% | 0.079 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -123.7 | 7.9 | -173.6 | -62.6 | -71 | 0 | 0 | 0 | 113.4 | L321 C322 H338 L339 A345 E346 I347 | L321-H343 WeakPolarHBondContact CB-CE1 3.42Å; L321-H343 WeakPolarHBondContact CB-ND1 3.42Å; L321-H343 HydrophobicContact CD1-CB 3.51Å; C322-H343 PolarHBondContact SG-NE2 3.44Å; H338-H343 AromaticContact CE1-CD2 3.91Å; H338-H343 AromaticContact CE1-NE2 3.71Å; H338-H343 AromaticContact NE2-CD2 3.5Å; H338-H343 AromaticContact NE2-NE2 3.42Å; H338-H343 PolarHBondContact NE2-NE2 2.92Å; L339-H343 HydrophobicContact CD2-CB 4.34Å; L339-H343 CarbonylContact O-C 3.57Å; L339-H343 VanDerWaalsContact O-CA 3.27Å; L339-H343 WeakPolarHBondContact O-CA 3.25Å; L339-H343 WeakPolarHBondContact O-CB 3.2Å; L339-H343 PolarHBondContact O-N 3.04Å; H343-A345 PolarHBondContact O-N 3.04Å; H343-A345 VanDerWaalsContact O-N 3.13Å; H343-E346 IonicContact CE1-OE2 3.7Å; H343-E346 IonicContact CG-OE2 3.76Å; H343-E346 IonicContact ND1-OE2 2.81Å; H343-E346 PolarHBondContact ND1-OE2 2.99Å; H343-E346 PolarHBondContact O-N 3.21Å; H343-I347 HydrophobicContact CB-CD1 3.95Å; H343-I347 HydrophobicContact CB-CG1 4.24Å; H343-I347 WeakPolarHBondContact O-CG1 3.39Å; H343-I347 PolarHBondContact O-N 2.92Å |
| 344 | S | 68.1 | Low | 66.5 | Low | 54 Ų | 54 | 76.9 Ų | 76.9 | 38% | 0.378 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -53.6 | -38.1 | 178.4 | 42.3 | 0 | 0 | 0 | 0 | 112.5 | L339 D340 I347 S348 | L339-S344 PolarHBondContact O-N 3.28Å; D340-S344 WeakPolarHBondContact O-CB 3.03Å; D340-S344 PolarHBondContact O-OG 3.23Å; S344-I347 PolarHBondContact O-N 3.3Å; S344-S348 VanDerWaalsContact O-CB 3.25Å; S344-S348 WeakPolarHBondContact O-CB 3.32Å; S344-S348 PolarHBondContact O-N 3.45Å; S344-S348 PolarHBondContact O-OG 2.93Å |
| 345 | A | 70.1 | Confident | 66.7 | Low | 66 Ų | 66 | 80.3 Ų | 80.3 | 55% | 0.545 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -68.7 | -30.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | H343 K349 | H343-A345 PolarHBondContact O-N 3.04Å; H343-A345 VanDerWaalsContact O-N 3.13Å; A345-K349 WeakPolarHBondContact O-CD 3.5Å; A345-K349 WeakPolarHBondContact O-CE 3.27Å; A345-K349 VanDerWaalsContact O-CG 3.32Å; A345-K349 WeakPolarHBondContact O-CG 3.49Å |
| 346 | E | 65.3 | Low | 66.6 | Low | 94 Ų | 94 | 85.7 Ų | 85.7 | 44% | 0.439 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -80.9 | -34.9 | 175.5 | -68.9 | -177.6 | 156.2 | 0 | 0 | 111.3 | H343 K349 | H343-E346 IonicContact CE1-OE2 3.7Å; H343-E346 IonicContact CG-OE2 3.76Å; H343-E346 IonicContact ND1-OE2 2.81Å; H343-E346 PolarHBondContact ND1-OE2 2.99Å; H343-E346 PolarHBondContact O-N 3.21Å; E346-K349 PolarHBondContact O-N 3Å |
| 347 | I | 63.9 | Low | 66.9 | Low | 20 Ų | 20 | 86.6 Ų | 86.6 | 10% | 0.103 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -75.3 | -33.9 | 179.9 | -57.9 | 164.8 | 0 | 0 | 0 | 111 | L302 Y307 L339 H343 S344 K349 L350 | L302-I347 HydrophobicContact CD1-CB 4.28Å; L302-I347 HydrophobicContact CD1-CD1 3.91Å; L302-I347 HydrophobicContact CD1-CG2 3.39Å; L302-I347 HydrophobicContact CD2-CD1 4.19Å; L302-I347 HydrophobicContact CG-CD1 4.43Å; L302-I347 HydrophobicContact CG-CG2 3.98Å; Y307-I347 HydrophobicContact CE1-CG1 4.28Å; Y307-I347 HydrophobicContact CE2-CD1 4.15Å; Y307-I347 HydrophobicContact CE2-CG1 3.9Å; Y307-I347 HydrophobicContact CE2-CG2 4.23Å; L339-I347 HydrophobicContact CB-CD1 3.66Å; L339-I347 HydrophobicContact CD2-CD1 4.13Å; L339-I347 HydrophobicContact CG-CD1 4.33Å; H343-I347 HydrophobicContact CB-CD1 3.95Å; H343-I347 HydrophobicContact CB-CG1 4.24Å; H343-I347 WeakPolarHBondContact O-CG1 3.39Å; H343-I347 PolarHBondContact O-N 2.92Å; S344-I347 PolarHBondContact O-N 3.3Å; I347-K349 PolarHBondContact O-N 3Å; I347-L350 PolarHBondContact O-N 3.02Å |
| 348 | S | 63.9 | Low | 66.8 | Low | 98 Ų | 98 | 82.5 Ų | 82.5 | 69% | 0.685 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -4.9 | 176 | -54.8 | 0 | 0 | 0 | 0 | 113.9 | S344 | S344-S348 VanDerWaalsContact O-CB 3.25Å; S344-S348 WeakPolarHBondContact O-CB 3.32Å; S344-S348 PolarHBondContact O-N 3.45Å; S344-S348 PolarHBondContact O-OG 2.93Å |
| 349 | K | 58.4 | Low | 66 | Low | 179 Ų | 179 | 87.6 Ų | 87.6 | 78% | 0.778 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | -3.8 | 176.1 | -71.9 | 173.6 | -175.9 | 179.3 | 0 | 113.2 | A345 E346 I347 | A345-K349 WeakPolarHBondContact O-CD 3.5Å; A345-K349 WeakPolarHBondContact O-CE 3.27Å; A345-K349 VanDerWaalsContact O-CG 3.32Å; A345-K349 WeakPolarHBondContact O-CG 3.49Å; E346-K349 PolarHBondContact O-N 3Å; I347-K349 PolarHBondContact O-N 3Å |
| 350 | L | 50.5 | Low | 65.9 | Low | 176 Ų | 176 | 95.5 Ų | 95.5 | 92% | 0.921 | 51% | 0.511 | S | S | * | . | trans | -104.9 | 0 | 176.2 | -71.3 | 161.2 | 0 | 0 | 0 | 109.4 | Y307 I347 | Y307-L350 HydrophobicContact CE1-CD1 4.15Å; Y307-L350 WeakPolarHBondContact OH-CD1 3.37Å; I347-L350 PolarHBondContact O-N 3.02Å |
Retrieved 350 of 350 residues in 449.7 ms
(Link to these results)