| 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 | 62 | Low | 51.6 | Low | 225 Ų | 225 | 146.9 Ų | 146.9 | 100% | 1.108 | 84% | 0.835 | S | S | * | * | 0 | 28.6 | 0 | -67.7 | 122 | 166.8 | 0 | 0 | 111.3 | |||||
| 2 | D | 54 | Low | 51.7 | Low | 152 Ų | 152 | 142.8 Ų | 142.8 | 81% | 0.813 | 82% | 0.822 | S | S | * | * | 49.5 | 97.5 | 113.6 | -36.3 | -40.9 | 0 | 0 | 0 | 118.6 | |||||
| 3 | D | 48.4 | Very low | 52.6 | Low | 149 Ų | 149 | 140.7 Ų | 140.7 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | trans | -33.6 | 154.2 | 143.9 | -64.8 | -89 | 0 | 0 | 0 | 115.1 | ||||
| 4 | L | 65.6 | Low | 52.4 | Low | 154 Ų | 154 | 139.7 Ų | 139.7 | 81% | 0.806 | 82% | 0.817 | S | S | * | * | 160.7 | 102.4 | 125.5 | -78.4 | 179.7 | 0 | 0 | 0 | 112.2 | |||||
| 5 | L | 51.7 | Low | 52.3 | Low | 156 Ų | 156 | 137.6 Ų | 137.6 | 82% | 0.817 | 81% | 0.813 | S | S | * | * | 32.4 | 131.8 | 127 | -58.7 | 168.3 | 0 | 0 | 0 | 121.4 | |||||
| 6 | S | 60.8 | Low | 52.8 | Low | 115 Ų | 115 | 136.3 Ų | 136.3 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | 125.5 | 146.8 | 127.4 | -74.1 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 7 | P | 50.9 | Low | 52.9 | Low | 113 Ų | 113 | 133.6 Ų | 133.6 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | trans | -127 | 174.3 | -140 | 37 | -17.7 | 0 | 0 | 0 | 116.1 | ||||
| 8 | C | 40.3 | Very low | 52.5 | Low | 128 Ų | 128 | 132.7 Ų | 132.7 | 87% | 0.865 | 79% | 0.794 | S | S | * | * | trans | 21.9 | 108.7 | 153.2 | -66.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 9 | S | 46 | Very low | 52.5 | Low | 119 Ų | 119 | 136 Ų | 136 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | -93.1 | 102.1 | 157.1 | 46 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 10 | S | 43.9 | Very low | 51.5 | Low | 104 Ų | 104 | 138.6 Ų | 138.6 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | -88 | 114.9 | 163.5 | -173.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 11 | F | 44 | Very low | 50.8 | Low | 201 Ų | 201 | 137.1 Ų | 137.1 | 88% | 0.882 | 80% | 0.797 | S | S | * | * | trans | -112.4 | 97 | 170.2 | -117.9 | -92.4 | 0 | 0 | 0 | 107.5 | ||||
| 12 | S | 52.7 | Low | 49.9 | Very low | 97 Ų | 97 | 135.4 Ų | 135.4 | 68% | 0.678 | 79% | 0.786 | S | S | * | * | trans | -107.9 | 123.3 | 167.2 | -65.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 13 | P | 63.6 | Low | 49.3 | Very low | 116 Ų | 116 | 133.2 Ų | 133.2 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 149.4 | 175.2 | 29.7 | -31.5 | 0 | 0 | 0 | 110.5 | ||
| 14 | P | 49.9 | Very low | 49.1 | Very low | 127 Ų | 127 | 129.3 Ų | 129.3 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 130.2 | -178.1 | 30.1 | -32.1 | 0 | 0 | 0 | 110.8 | ||
| 15 | S | 50.2 | Low | 48.2 | Very low | 108 Ų | 108 | 129.3 Ų | 129.3 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 136.1 | 171.1 | 48.5 | 0 | 0 | 0 | 0 | 112 | ||
| 16 | P | 61 | Low | 48.1 | Very low | 117 Ų | 117 | 126.6 Ų | 126.6 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 149.9 | 172.9 | 30.4 | -32.4 | 0 | 0 | 0 | 110.9 | ||
| 17 | P | 54.7 | Low | 47.6 | Very low | 91 Ų | 91 | 127.1 Ų | 127.1 | 59% | 0.591 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 152.9 | -177.3 | 31 | -34.8 | 0 | 0 | 0 | 112 | F19 | P17-F19 HydrophobicContact CG-CD2 4.17Å; P17-F19 HydrophobicContact CG-CE2 3.92Å; P17-F19 PolarHBondContact O-N 3.36Å |
| 18 | P | 44.7 | Very low | 47.8 | Very low | 116 Ų | 116 | 128 Ų | 128 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | trans | -81 | 106.5 | 176.8 | 32.8 | -28.7 | 0 | 0 | 0 | 109 | F20 | P18-F20 PolarHBondContact O-N 3.38Š| ||
| 19 | F | 52.7 | Low | 47.9 | Very low | 196 Ų | 196 | 130.2 Ų | 130.2 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | trans | -87.5 | 92.7 | 169.5 | -89.9 | -85.2 | 0 | 0 | 0 | 109.8 | P17 | P17-F19 HydrophobicContact CG-CD2 4.17Å; P17-F19 HydrophobicContact CG-CE2 3.92Å; P17-F19 PolarHBondContact O-N 3.36Å | ||
| 20 | F | 33.8 | Very low | 47.6 | Very low | 187 Ų | 187 | 132.8 Ų | 132.8 | 82% | 0.82 | 77% | 0.766 | S | S | * | * | trans | -94.1 | 138.8 | 158.1 | -87.8 | -84.8 | 0 | 0 | 0 | 109.2 | P18 | P18-F20 PolarHBondContact O-N 3.38Š| ||
| 21 | S | 36.8 | Very low | 47.5 | Very low | 109 Ų | 109 | 132.3 Ų | 132.3 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | trans | 95.3 | 85.3 | 161.6 | -41.9 | 0 | 0 | 0 | 0 | 118 | ||||
| 22 | H | 41.3 | Very low | 47.7 | Very low | 189 Ų | 189 | 127.7 Ų | 127.7 | 88% | 0.875 | 76% | 0.761 | S | S | * | * | -156.4 | 128 | 126.4 | -126.1 | 66 | 0 | 0 | 0 | 110.8 | G24 | H22-G24 PolarHBondContact O-N 2.94Š| |||
| 23 | A | 43 | Very low | 47.5 | Very low | 106 Ų | 106 | 128.9 Ų | 128.9 | 88% | 0.876 | 77% | 0.767 | S | S | * | * | trans | -69.7 | 109.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 24 | G | 43 | Very low | 46.8 | Very low | 66 Ų | 66 | 131.7 Ų | 131.7 | 68% | 0.68 | 77% | 0.77 | S | S | * | * | trans | -171.1 | 128.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | H22 | H22-G24 PolarHBondContact O-N 2.94Š| ||
| 25 | N | 46.8 | Very low | 46.9 | Very low | 154 Ų | 154 | 129.5 Ų | 129.5 | 82% | 0.824 | 76% | 0.755 | S | S | * | * | trans | -38.8 | 136.7 | -179.6 | -95.1 | -24.8 | 0 | 0 | 0 | 113.3 | V27 | N25-V27 PolarHBondContact O-N 3.06Š| ||
| 26 | P | 49.3 | Very low | 47.2 | Very low | 99 Ų | 99 | 127.5 Ų | 127.5 | 64% | 0.643 | 74% | 0.739 | S | S | * | * | trans | -69.7 | 99.6 | 165.4 | 30 | -30.4 | 0 | 0 | 0 | 108 | I28 | P26-I28 PolarHBondContact O-N 2.78Š| ||
| 27 | V | 51.2 | Low | 47 | Very low | 126 Ų | 126 | 128.4 Ų | 128.4 | 76% | 0.764 | 73% | 0.733 | S | S | * | * | trans | -65.4 | 116.9 | 161.5 | 169.6 | 0 | 0 | 0 | 0 | 105.9 | N25 E29 | N25-V27 PolarHBondContact O-N 3.06Å; V27-E29 VanDerWaalsContact C-N 3.34Å; V27-E29 PolarHBondContact O-N 3.22Å | ||
| 28 | I | 54.4 | Low | 47.1 | Very low | 132 Ų | 132 | 127.4 Ų | 127.4 | 68% | 0.677 | 72% | 0.721 | S | S | * | * | trans | -62.6 | 102.3 | 168.3 | -62.3 | 170.6 | 0 | 0 | 0 | 105.8 | P26 F30 | P26-I28 PolarHBondContact O-N 2.78Å; I28-F30 VanDerWaalsContact C-N 3.33Å; I28-F30 HydrophobicContact CG2-CD2 4.46Å; I28-F30 HydrophobicContact CG2-CE2 4.29Å; I28-F30 WeakPolarHBondContact O-CD2 3.38Å; I28-F30 PolarHBondContact O-N 3.45Å | ||
| 29 | E | 43.1 | Very low | 47.9 | Very low | 174 Ų | 174 | 127 Ų | 127 | 81% | 0.813 | 70% | 0.704 | S | S | * | * | trans | -69.3 | 93.9 | 173.7 | -164.8 | 177.2 | -167.7 | 0 | 0 | 106.9 | V27 A31 | V27-E29 VanDerWaalsContact C-N 3.34Å; V27-E29 PolarHBondContact O-N 3.22Å; E29-A31 PolarHBondContact O-N 2.7Å | ||
| 30 | F | 40.8 | Very low | 48.1 | Very low | 174 Ų | 174 | 123.8 Ų | 123.8 | 76% | 0.763 | 70% | 0.695 | S | S | * | * | trans | -59.2 | 124.1 | 167.3 | -75.4 | -87.1 | 0 | 0 | 0 | 107.1 | I28 S32 | I28-F30 VanDerWaalsContact C-N 3.33Å; I28-F30 HydrophobicContact CG2-CD2 4.46Å; I28-F30 HydrophobicContact CG2-CE2 4.29Å; I28-F30 WeakPolarHBondContact O-CD2 3.38Å; I28-F30 PolarHBondContact O-N 3.45Å; F30-S32 PolarHBondContact O-N 2.6Å | ||
| 31 | A | 40.8 | Very low | 49.1 | Very low | 94 Ų | 94 | 120.6 Ų | 120.6 | 78% | 0.777 | 69% | 0.686 | S | S | * | * | trans | -44.8 | 116.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | E29 C33 | E29-A31 PolarHBondContact O-N 2.7Å; A31-C33 PolarHBondContact O-N 3.01Å; A31-C33 VanDerWaalsContact O-N 3.11Å | ||
| 32 | S | 47.6 | Very low | 49.8 | Very low | 104 Ų | 104 | 119.5 Ų | 119.5 | 73% | 0.727 | 67% | 0.672 | S | S | * | * | trans | -41.9 | 120.1 | 176.8 | -71.1 | 0 | 0 | 0 | 0 | 109.5 | F30 E34 | F30-S32 PolarHBondContact O-N 2.6Å; S32-E34 PolarHBondContact O-N 2.97Å | ||
| 33 | C | 48.5 | Very low | 50.3 | Low | 121 Ų | 121 | 116.5 Ų | 116.5 | 82% | 0.818 | 66% | 0.662 | S | S | * | * | trans | -52.8 | 115 | 162.7 | -64.9 | 0 | 0 | 0 | 0 | 106.2 | A31 V35 | A31-C33 PolarHBondContact O-N 3.01Å; A31-C33 VanDerWaalsContact O-N 3.11Å; C33-V35 PolarHBondContact O-N 3.15Å | ||
| 34 | E | 49.6 | Very low | 50.6 | Low | 175 Ų | 175 | 116.7 Ų | 116.7 | 82% | 0.818 | 65% | 0.652 | S | S | * | * | trans | -56.1 | 100.3 | -176.8 | -151.4 | 153.5 | -157.6 | 0 | 0 | 107.5 | S32 P36 | S32-E34 PolarHBondContact O-N 2.97Å; E34-P36 VanDerWaalsContact O-CD 3.27Å; E34-P36 WeakPolarHBondContact O-CD 3.41Å; E34-P36 VanDerWaalsContact O-N 3.09Å | ||
| 35 | V | 52.7 | Low | 50.6 | Low | 82 Ų | 82 | 120.4 Ų | 120.4 | 50% | 0.497 | 66% | 0.662 | S | S | . | * | trans | -59.6 | 116.9 | 172.8 | 173.1 | 0 | 0 | 0 | 0 | 103.7 | C33 E37 W39 L40 | C33-V35 PolarHBondContact O-N 3.15Å; V35-E37 PolarHBondContact O-N 3Å; V35-W39 HydrophobicContact CG1-CB 3.86Å; V35-W39 HydrophobicContact CG1-CG 4.29Å; V35-L40 HydrophobicContact CB-CD1 4.19Å; V35-L40 HydrophobicContact CG1-CD1 3.99Å | ||
| 36 | P | 55.2 | Low | 50.5 | Low | 65 Ų | 65 | 119.8 Ų | 119.8 | 42% | 0.422 | 66% | 0.658 | S | S | . | * | trans | -53.7 | 125.1 | -172.2 | -24.1 | 31.5 | 0 | 0 | 0 | 108.1 | E34 Q38 W39 | E34-P36 VanDerWaalsContact O-CD 3.27Å; E34-P36 WeakPolarHBondContact O-CD 3.41Å; E34-P36 VanDerWaalsContact O-N 3.09Å; P36-Q38 HydrophobicContact CB-CG 3.88Å; P36-Q38 PolarHBondContact O-N 3.48Å; P36-W39 WeakPolarHBondContact O-CB 3.22Å; P36-W39 VanDerWaalsContact O-CD1 3.26Å; P36-W39 PolarHBondContact O-N 3.43Å | ||
| 37 | E | 57.3 | Low | 50.2 | Low | 136 Ų | 136 | 121.6 Ų | 121.6 | 64% | 0.636 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -50.7 | -27.1 | -170.2 | -72.7 | -172.1 | 149.3 | 0 | 0 | 112.4 | V35 W39 L40 L41 | V35-E37 PolarHBondContact O-N 3Å; E37-W39 PolarHBondContact O-N 2.91Å; E37-W39 VanDerWaalsContact O-N 3.1Å; E37-L40 PolarHBondContact O-N 3.45Å; E37-L41 HydrophobicContact CB-CD1 4.16Å; E37-L41 WeakPolarHBondContact O-CB 3.21Å; E37-L41 PolarHBondContact O-N 2.85Å |
| 38 | Q | 57.5 | Low | 49.7 | Very low | 71 Ų | 71 | 125 Ų | 125 | 33% | 0.332 | 67% | 0.666 | S | S | . | * | G | 310 helix | trans | -57.5 | -17.1 | 172 | 65.7 | 174.6 | 15.5 | 0 | 0 | 116.1 | P36 D145 | P36-Q38 HydrophobicContact CB-CG 3.88Å; P36-Q38 PolarHBondContact O-N 3.48Å; Q38-D145 PolarHBondContact NE2-OD1 2.87Å |
| 39 | W | 60.5 | Low | 48.8 | Very low | 106 Ų | 106 | 125.8 Ų | 125.8 | 40% | 0.402 | 67% | 0.672 | S | S | . | * | G | 310 helix | trans | -83.9 | -25.9 | 173.8 | -68 | 67.6 | 0 | 0 | 0 | 112 | V35 P36 E37 D145 | V35-W39 HydrophobicContact CG1-CB 3.86Å; V35-W39 HydrophobicContact CG1-CG 4.29Å; P36-W39 WeakPolarHBondContact O-CB 3.22Å; P36-W39 VanDerWaalsContact O-CD1 3.26Å; P36-W39 PolarHBondContact O-N 3.43Å; E37-W39 PolarHBondContact O-N 2.91Å; E37-W39 VanDerWaalsContact O-N 3.1Å; W39-D145 HydrophobicContact CZ2-CB 3.96Å |
| 40 | L | 57.5 | Low | 48.5 | Very low | 130 Ų | 130 | 127 Ų | 127 | 68% | 0.681 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | -27.8 | -176.2 | -81.9 | 150 | 0 | 0 | 0 | 112.7 | V35 E37 | V35-L40 HydrophobicContact CB-CD1 4.19Å; V35-L40 HydrophobicContact CG1-CD1 3.99Å; E37-L40 PolarHBondContact O-N 3.45Å |
| 41 | L | 54.9 | Low | 48.5 | Very low | 120 Ų | 120 | 120.7 Ų | 120.7 | 63% | 0.628 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -92.4 | 7.6 | -166.3 | -99.3 | 77.2 | 0 | 0 | 0 | 117.4 | E37 | E37-L41 HydrophobicContact CB-CD1 4.16Å; E37-L41 WeakPolarHBondContact O-CB 3.21Å; E37-L41 PolarHBondContact O-N 2.85Å |
| 42 | D | 51.7 | Low | 48.2 | Very low | 86 Ų | 86 | 126.3 Ų | 126.3 | 46% | 0.46 | 66% | 0.663 | S | S | . | * | S | Bend | trans | -134.2 | 80.1 | 179.4 | -73.5 | -61.5 | 0 | 0 | 0 | 111 | K138 R142 | D42-K138 WeakPolarHBondContact O-CE 3.44Å; D42-K138 PolarHBondContact O-NZ 3.01Å; D42-R142 PolarHBondContact O-NH2 3.03Å; D42-R142 VanDerWaalsContact O-NH2 3.12Å |
| 43 | D | 50 | Low | 48.2 | Very low | 125 Ų | 125 | 132.3 Ų | 132.3 | 67% | 0.668 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -173.4 | 140.3 | 139.5 | -93.2 | -40.6 | 0 | 0 | 0 | 110.2 | K138 R142 | D43-K138 IonicContact OD1-NZ 3.57Å; D43-K138 PolarHBondContact OD1-NZ 3.41Å; D43-K138 IonicContact OD2-NZ 3.3Å; D43-K138 PolarHBondContact OD2-NZ 3.15Å; D43-R142 IonicContact OD2-NH2 3.29Å |
| 44 | V | 49.9 | Very low | 47.9 | Very low | 110 Ų | 110 | 131.8 Ų | 131.8 | 67% | 0.667 | 66% | 0.66 | S | S | * | * | trans | 94.1 | 66.1 | 180 | -160.3 | 0 | 0 | 0 | 0 | 115.6 | L46 | V44-L46 HydrophobicContact CG1-CB 3.53Å; V44-L46 HydrophobicContact CG1-CD1 3.43Å; V44-L46 VanDerWaalsContact CG1-CD1 3.43Å; V44-L46 HydrophobicContact CG1-CG 3.38Å; V44-L46 PolarHBondContact O-N 3.38Å; V44-L46 VanDerWaalsContact O-N 3.13Å | ||
| 45 | V | 44.4 | Very low | 47.6 | Very low | 145 Ų | 145 | 130.1 Ų | 130.1 | 88% | 0.879 | 66% | 0.657 | S | S | * | * | trans | -71.5 | 87.6 | 134.9 | 178.3 | 0 | 0 | 0 | 0 | 105.6 | D47 | V45-D47 VanDerWaalsContact C-N 3.32Å; V45-D47 PolarHBondContact O-N 3.47Å; V45-D47 VanDerWaalsContact O-N 3.08Å | ||
| 46 | L | 44.7 | Very low | 47.7 | Very low | 141 Ų | 141 | 133.2 Ų | 133.2 | 74% | 0.738 | 68% | 0.676 | S | S | * | * | trans | -70 | 97.5 | 164.3 | -113.1 | 160 | 0 | 0 | 0 | 106 | V44 K48 | V44-L46 HydrophobicContact CG1-CB 3.53Å; V44-L46 HydrophobicContact CG1-CD1 3.43Å; V44-L46 VanDerWaalsContact CG1-CD1 3.43Å; V44-L46 HydrophobicContact CG1-CG 3.38Å; V44-L46 PolarHBondContact O-N 3.38Å; V44-L46 VanDerWaalsContact O-N 3.13Å; L46-K48 PolarHBondContact O-N 2.82Å | ||
| 47 | D | 42.3 | Very low | 47 | Very low | 137 Ų | 137 | 136.5 Ų | 136.5 | 73% | 0.733 | 69% | 0.69 | S | S | * | * | trans | -56.2 | 130.6 | 160.2 | -148.8 | -66.7 | 0 | 0 | 0 | 107.4 | V45 N49 | V45-D47 VanDerWaalsContact C-N 3.32Å; V45-D47 PolarHBondContact O-N 3.47Å; V45-D47 VanDerWaalsContact O-N 3.08Å; D47-N49 PolarHBondContact O-N 3.12Å | ||
| 48 | K | 39.5 | Very low | 46.4 | Very low | 198 Ų | 198 | 136.9 Ų | 136.9 | 86% | 0.861 | 70% | 0.696 | S | S | * | * | trans | -62.1 | 103.6 | -172.2 | -71.3 | 172.7 | 172 | 177.8 | 0 | 109.4 | L46 | L46-K48 PolarHBondContact O-N 2.82Š| ||
| 49 | N | 37.2 | Very low | 45.7 | Very low | 147 Ų | 147 | 141.5 Ų | 141.5 | 79% | 0.786 | 72% | 0.722 | S | S | * | * | trans | -119.3 | 99.1 | 161.3 | -168.1 | 15.3 | 0 | 0 | 0 | 109.1 | D47 G51 | D47-N49 PolarHBondContact O-N 3.12Å; N49-G51 PolarHBondContact O-N 2.7Å; N49-G51 VanDerWaalsContact O-N 3.08Å | ||
| 50 | E | 35.8 | Very low | 45 | Very low | 199 Ų | 199 | 147.9 Ų | 147.9 | 93% | 0.93 | 75% | 0.747 | S | S | * | * | trans | -58.9 | 105.6 | 166.5 | -77.5 | 177.4 | 81.5 | 0 | 0 | 108.9 | ||||
| 51 | G | 40.7 | Very low | 44.4 | Very low | 43 Ų | 43 | 146.8 Ų | 146.8 | 44% | 0.443 | 75% | 0.747 | S | S | . | * | trans | -162.6 | 79.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | N49 Y53 | N49-G51 PolarHBondContact O-N 2.7Å; N49-G51 VanDerWaalsContact O-N 3.08Å; G51-Y53 WeakPolarHBondContact O-CD2 3.24Å | ||
| 52 | R | 35.2 | Very low | 43.6 | Very low | 212 Ų | 212 | 147.8 Ų | 147.8 | 80% | 0.8 | 76% | 0.758 | S | S | * | * | trans | 33.1 | 94.9 | 143.2 | -168.5 | 75.7 | -175.9 | -148.3 | 4 | 116.2 | D54 | R52-D54 IonicContact CZ-OD2 2.8Å; R52-D54 VanDerWaalsContact CZ-OD2 3.3Å; R52-D54 IonicContact NE-OD2 3.36Å; R52-D54 PolarHBondContact NE-OD2 3.47Å; R52-D54 IonicContact NH2-OD1 3.54Å; R52-D54 IonicContact NH2-OD2 3.26Å; R52-D54 PolarHBondContact NH2-OD2 3.36Å | ||
| 53 | Y | 46.8 | Very low | 43.3 | Very low | 230 Ų | 230 | 148.4 Ų | 148.4 | 90% | 0.902 | 78% | 0.775 | S | S | * | * | trans | -109.4 | 110.3 | 162.2 | -80.1 | -92.9 | 0 | 0 | 0 | 109.1 | G51 | G51-Y53 WeakPolarHBondContact O-CD2 3.24Š| ||
| 54 | D | 42.6 | Very low | 42.6 | Very low | 110 Ų | 110 | 145.2 Ų | 145.2 | 59% | 0.588 | 77% | 0.772 | S | S | * | * | trans | -94.2 | 121 | 159.7 | -77.9 | -69.4 | 0 | 0 | 0 | 106.8 | R52 | R52-D54 IonicContact CZ-OD2 2.8Å; R52-D54 VanDerWaalsContact CZ-OD2 3.3Å; R52-D54 IonicContact NE-OD2 3.36Å; R52-D54 PolarHBondContact NE-OD2 3.47Å; R52-D54 IonicContact NH2-OD1 3.54Å; R52-D54 IonicContact NH2-OD2 3.26Å; R52-D54 PolarHBondContact NH2-OD2 3.36Å | ||
| 55 | D | 42.9 | Very low | 42.2 | Very low | 140 Ų | 140 | 151.7 Ų | 151.7 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | trans | 44.7 | 100.3 | 138.7 | -155.1 | 66.4 | 0 | 0 | 0 | 118.9 | ||||
| 56 | V | 54.7 | Low | 42.1 | Very low | 146 Ų | 146 | 149.1 Ų | 149.1 | 89% | 0.885 | 77% | 0.772 | S | S | * | * | trans | -154.1 | 88.8 | 147.6 | -81.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 57 | D | 41.8 | Very low | 42 | Very low | 135 Ų | 135 | 149.7 Ų | 149.7 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | trans | -65 | 151.4 | 159.8 | -89.9 | -64.8 | 0 | 0 | 0 | 111.3 | ||||
| 58 | D | 43 | Very low | 41.8 | Very low | 144 Ų | 144 | 148.3 Ų | 148.3 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | trans | 65.8 | 79.3 | 152.6 | -73.9 | -54 | 0 | 0 | 0 | 120.9 | ||||
| 59 | L | 43.5 | Very low | 41.9 | Very low | 168 Ų | 168 | 144 Ų | 144 | 88% | 0.88 | 77% | 0.769 | S | S | * | * | trans | -149.6 | 79.4 | 154.2 | -74.7 | 178.5 | 0 | 0 | 0 | 113.4 | ||||
| 60 | W | 46.2 | Very low | 41.9 | Very low | 240 Ų | 240 | 144.1 Ų | 144.1 | 91% | 0.909 | 77% | 0.769 | S | S | * | * | trans | -140.4 | 100.4 | 144.4 | -155.2 | -84.6 | 0 | 0 | 0 | 110.8 | V62 | W60-V62 PolarHBondContact O-N 2.92Š| ||
| 61 | P | 43.9 | Very low | 42.7 | Very low | 107 Ų | 107 | 140.7 Ų | 140.7 | 70% | 0.695 | 77% | 0.767 | S | S | * | * | trans | -77.2 | 115.4 | 179.9 | 29.3 | -28.9 | 0 | 0 | 0 | 110 | A63 | P61-A63 PolarHBondContact O-N 2.8Š| ||
| 62 | V | 39.6 | Very low | 42.8 | Very low | 141 Ų | 141 | 147.3 Ų | 147.3 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | trans | -63.4 | 98.7 | 160 | 159.3 | 0 | 0 | 0 | 0 | 108 | W60 | W60-V62 PolarHBondContact O-N 2.92Š| ||
| 63 | A | 44.6 | Very low | 43.2 | Very low | 99 Ų | 99 | 144.8 Ų | 144.8 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -102.6 | 82.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | P61 | P61-A63 PolarHBondContact O-N 2.8Š| ||
| 64 | G | 34.5 | Very low | 43.1 | Very low | 58 Ų | 58 | 138.1 Ų | 138.1 | 60% | 0.598 | 78% | 0.776 | S | S | * | * | trans | -107.4 | 119.7 | 157.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 65 | R | 42.2 | Very low | 43 | Very low | 245 Ų | 245 | 141 Ų | 141 | 93% | 0.925 | 79% | 0.785 | S | S | * | * | trans | 138.7 | 136.5 | 174.4 | -87.2 | 159.3 | 127.9 | -167.5 | -4.9 | 106.9 | ||||
| 66 | S | 41.9 | Very low | 42.7 | Very low | 91 Ų | 91 | 142.9 Ų | 142.9 | 64% | 0.636 | 79% | 0.79 | S | S | * | * | cis | -175.9 | 140.3 | 5.9 | -147.1 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 67 | L | 42.3 | Very low | 42 | Very low | 153 Ų | 153 | 141.5 Ų | 141.5 | 80% | 0.801 | 78% | 0.784 | S | S | * | * | trans | 75.2 | 112.1 | 142.7 | -59.1 | 160.3 | 0 | 0 | 0 | 119.9 | ||||
| 68 | S | 39.5 | Very low | 41.7 | Very low | 108 Ų | 108 | 142.8 Ų | 142.8 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | 110 | 125.7 | 125.8 | -64.4 | 0 | 0 | 0 | 0 | 118 | |||||
| 69 | P | 40.7 | Very low | 41.6 | Very low | 108 Ų | 108 | 141.1 Ų | 141.1 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | trans | -89.4 | -177.3 | 174.2 | 39.7 | -33 | 0 | 0 | 0 | 111.2 | ||||
| 70 | D | 38.2 | Very low | 41.3 | Very low | 149 Ų | 149 | 138.7 Ų | 138.7 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | trans | 98.2 | 98.1 | 173.5 | -56 | -40.3 | 0 | 0 | 0 | 116.1 | ||||
| 71 | S | 51.6 | Low | 41.4 | Very low | 127 Ų | 127 | 135.8 Ų | 135.8 | 89% | 0.888 | 78% | 0.776 | S | S | * | * | -169.4 | 121.4 | 122.9 | -82.9 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 72 | E | 43.2 | Very low | 41.5 | Very low | 182 Ų | 182 | 136 Ų | 136 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | trans | -57.4 | 152.2 | 170.4 | -57.1 | -176.3 | 82.9 | 0 | 0 | 112.5 | ||||
| 73 | L | 44.5 | Very low | 42.6 | Very low | 160 Ų | 160 | 135.7 Ų | 135.7 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | 173.7 | 136.4 | 115.2 | -91.3 | 164.6 | 0 | 0 | 0 | 113.1 | |||||
| 74 | S | 44.4 | Very low | 43.3 | Very low | 90 Ų | 90 | 136.6 Ų | 136.6 | 63% | 0.629 | 77% | 0.773 | S | S | * | * | trans | 72.4 | 97 | 152.6 | -60.5 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 75 | E | 40.3 | Very low | 44.6 | Very low | 170 Ų | 170 | 141.9 Ų | 141.9 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | 67.4 | 104.7 | 82.9 | -72.9 | -173.3 | 85 | 0 | 0 | 114.3 | |||||
| 76 | Q | 37.2 | Very low | 46.1 | Very low | 179 Ų | 179 | 135.8 Ų | 135.8 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | 167.6 | 152.7 | 104 | -84.4 | -150.8 | -28.7 | 0 | 0 | 112.7 | |||||
| 77 | P | 38 | Very low | 47.4 | Very low | 118 Ų | 118 | 136.9 Ų | 136.9 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | trans | -111.3 | 161 | -154.6 | 22.2 | -0.6 | 0 | 0 | 0 | 116.4 | ||||
| 78 | L | 37.2 | Very low | 48.1 | Very low | 161 Ų | 161 | 135.7 Ų | 135.7 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | trans | -23.2 | 152.7 | 162.8 | -87.4 | 140.6 | 0 | 0 | 0 | 117.7 | ||||
| 79 | P | 39.2 | Very low | 48.9 | Very low | 109 Ų | 109 | 139.9 Ų | 139.9 | 71% | 0.708 | 79% | 0.793 | S | S | * | * | -155.3 | 155.9 | 81.3 | 42.4 | -22.3 | 0 | 0 | 0 | 119.4 | |||||
| 80 | T | 39.2 | Very low | 49.1 | Very low | 117 Ų | 117 | 143.5 Ų | 143.5 | 72% | 0.718 | 80% | 0.8 | S | S | * | * | trans | 52.8 | 116.8 | 142.1 | 49.1 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 81 | Q | 48.3 | Very low | 49.5 | Very low | 179 Ų | 179 | 145.1 Ų | 145.1 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | -179.5 | 147.1 | 105.6 | -86.7 | -109.1 | 6.1 | 0 | 0 | 111.5 | |||||
| 82 | P | 45.4 | Very low | 49 | Very low | 111 Ų | 111 | 147.4 Ų | 147.4 | 72% | 0.721 | 80% | 0.799 | S | S | * | * | trans | -94.9 | 143.7 | -174.2 | 36.4 | -29.3 | 0 | 0 | 0 | 112.5 | ||||
| 83 | V | 61.5 | Low | 49 | Very low | 136 Ų | 136 | 147 Ų | 147 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | trans | -114.1 | 123.7 | 172.8 | -175.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 84 | P | 59.5 | Low | 48.7 | Very low | 117 Ų | 117 | 147.6 Ų | 147.6 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 137.8 | 179.1 | 26.2 | -16.6 | 0 | 0 | 0 | 112.6 | ||
| 85 | L | 63.2 | Low | 48.5 | Very low | 170 Ų | 170 | 149.8 Ų | 149.8 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 139.8 | 173.4 | -75.5 | 112 | 0 | 0 | 0 | 111.8 | ||
| 86 | P | 73.7 | Confident | 48.5 | Very low | 117 Ų | 117 | 148.2 Ų | 148.2 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 151.6 | 174.9 | 33.1 | -31.9 | 0 | 0 | 0 | 113.3 | ||
| 87 | P | 68 | Low | 48.8 | Very low | 113 Ų | 113 | 144.6 Ų | 144.6 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 156.7 | -178.4 | 34 | -34.3 | 0 | 0 | 0 | 113.5 | ||
| 88 | P | 56.8 | Low | 49.3 | Very low | 129 Ų | 129 | 144.8 Ų | 144.8 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 128 | 179.3 | 30.9 | -31.4 | 0 | 0 | 0 | 111.7 | ||
| 89 | Q | 57.2 | Low | 49.2 | Very low | 196 Ų | 196 | 143.5 Ų | 143.5 | 92% | 0.916 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -80 | 130.8 | 175 | -71.6 | -171.3 | -27.4 | 0 | 0 | 111.6 | ||
| 90 | Q | 45.7 | Very low | 49.3 | Very low | 183 Ų | 183 | 142.7 Ų | 142.7 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 134.2 | 163.8 | -67.7 | 171.4 | -23.3 | 0 | 0 | 109.2 | ||
| 91 | Q | 45.7 | Very low | 49.3 | Very low | 183 Ų | 183 | 141.6 Ų | 141.6 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | trans | -125.1 | 97.4 | 166.3 | -162.6 | 165.8 | 13.6 | 0 | 0 | 109.6 | ||||
| 92 | Q | 40.2 | Very low | 49.2 | Very low | 175 Ų | 175 | 139.3 Ų | 139.3 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -91.3 | 122.3 | 157.9 | -93 | 169.3 | -40.6 | 0 | 0 | 107.9 | ||||
| 93 | Q | 43.4 | Very low | 49 | Very low | 173 Ų | 173 | 138 Ų | 138 | 81% | 0.808 | 80% | 0.799 | S | S | * | * | trans | -156.7 | 98.4 | 150.8 | -65.9 | -169.4 | -21.2 | 0 | 0 | 105.8 | ||||
| 94 | E | 39.7 | Very low | 48.6 | Very low | 174 Ų | 174 | 139.3 Ų | 139.3 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | 62 | 114 | 79.8 | -87.4 | -162.4 | 100.9 | 0 | 0 | 116.4 | |||||
| 95 | L | 38.8 | Very low | 48.2 | Very low | 135 Ų | 135 | 140.1 Ų | 140.1 | 71% | 0.707 | 79% | 0.79 | S | S | * | * | trans | 54.7 | 121.7 | 150.7 | -68.2 | 114.7 | 0 | 0 | 0 | 121 | ||||
| 96 | T | 41.3 | Very low | 47.3 | Very low | 137 Ų | 137 | 138.2 Ų | 138.2 | 84% | 0.84 | 78% | 0.776 | S | S | * | * | -176.2 | 143.2 | 100.9 | 29.9 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 97 | S | 41.8 | Very low | 45.8 | Very low | 103 Ų | 103 | 142.7 Ų | 142.7 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | trans | -48.1 | 155.2 | 178.4 | 47.6 | 0 | 0 | 0 | 0 | 119 | ||||
| 98 | V | 48.5 | Very low | 44.6 | Very low | 123 Ų | 123 | 143.7 Ų | 143.7 | 75% | 0.745 | 78% | 0.784 | S | S | * | * | 156.7 | 115.4 | 113.4 | 167.7 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 99 | T | 36.2 | Very low | 43.9 | Very low | 134 Ų | 134 | 141.7 Ų | 141.7 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | trans | 41.4 | 134.6 | 137.5 | -37 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 100 | A | 42.2 | Very low | 43.7 | Very low | 92 Ų | 92 | 136.2 Ų | 136.2 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | trans | 107.7 | 110.6 | 144.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 101 | A | 39 | Very low | 43.7 | Very low | 94 Ų | 94 | 137.4 Ų | 137.4 | 78% | 0.777 | 79% | 0.786 | S | S | * | * | trans | -65.4 | 159.9 | 159.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 102 | P | 45 | Very low | 43.8 | Very low | 130 Ų | 130 | 140.8 Ų | 140.8 | 84% | 0.844 | 79% | 0.791 | S | S | * | * | -145.6 | 176.5 | 100.5 | 34.3 | -15.2 | 0 | 0 | 0 | 115.2 | |||||
| 103 | A | 41.5 | Very low | 43.7 | Very low | 83 Ų | 83 | 144.5 Ų | 144.5 | 69% | 0.686 | 80% | 0.797 | S | S | * | * | trans | -76.5 | -178.6 | -167.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 104 | Q | 52.4 | Low | 43.8 | Very low | 164 Ų | 164 | 139.6 Ų | 139.6 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | trans | 92.4 | 129.1 | 158.9 | -58.2 | -178.9 | 20.5 | 0 | 0 | 114 | ||||
| 105 | Q | 52.3 | Low | 44.6 | Very low | 135 Ų | 135 | 143.4 Ų | 143.4 | 63% | 0.631 | 80% | 0.8 | S | S | * | * | cis | -179.7 | 157.9 | 30.8 | -122.7 | 163.7 | 32.9 | 0 | 0 | 111.1 | ||||
| 106 | Q | 43.9 | Very low | 45.3 | Very low | 129 Ų | 129 | 146.4 Ų | 146.4 | 60% | 0.603 | 81% | 0.808 | S | S | * | * | trans | 80.5 | 129.3 | 146.4 | -68 | 177.1 | 63.3 | 0 | 0 | 118.9 | ||||
| 107 | R | 43 | Very low | 46.2 | Very low | 212 Ų | 212 | 146.2 Ų | 146.2 | 80% | 0.8 | 81% | 0.808 | S | S | * | * | cis | -165.4 | 149.9 | 15 | -95.9 | 152.6 | -172 | -152.1 | 3.5 | 110.9 | ||||
| 108 | P | 42.2 | Very low | 46.7 | Very low | 133 Ų | 133 | 143.6 Ų | 143.6 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | trans | -100.6 | 147.9 | 165.7 | 36.1 | -27.1 | 0 | 0 | 0 | 112 | ||||
| 109 | G | 42.4 | Very low | 47.1 | Very low | 87 Ų | 87 | 144 Ų | 144 | 90% | 0.897 | 80% | 0.803 | S | S | * | * | trans | 162.6 | 123.2 | 164.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 110 | G | 51.6 | Low | 48 | Very low | 82 Ų | 82 | 147.8 Ų | 147.8 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | trans | 158.7 | 71.8 | 165.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 111 | K | 46.8 | Very low | 48.8 | Very low | 208 Ų | 208 | 149.2 Ų | 149.2 | 90% | 0.904 | 80% | 0.804 | S | S | * | * | trans | -61.7 | 125.1 | 175.9 | -61 | 164.6 | 177.8 | 178.6 | 0 | 112 | ||||
| 112 | R | 48.1 | Very low | 49.2 | Very low | 254 Ų | 254 | 152.4 Ų | 152.4 | 96% | 0.958 | 81% | 0.808 | S | S | * | * | trans | -144.3 | 124.5 | 144.7 | -73 | -160.5 | 175.9 | -109.7 | -2.3 | 111.4 | ||||
| 113 | R | 37.3 | Very low | 49.8 | Very low | 253 Ų | 253 | 148.2 Ų | 148.2 | 96% | 0.955 | 79% | 0.788 | S | S | * | * | trans | -76.6 | 144 | -173.4 | -69 | 173 | 167.3 | -136.7 | -2.1 | 111.7 | ||||
| 114 | G | 45.4 | Very low | 50.7 | Low | 70 Ų | 70 | 150 Ų | 150 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | trans | 98.8 | 93.9 | 141.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 115 | R | 57.2 | Low | 51.2 | Low | 254 Ų | 254 | 148.6 Ų | 148.6 | 96% | 0.958 | 80% | 0.795 | S | S | * | * | trans | -177 | 130.1 | 132.2 | -95.2 | 157.8 | -170.8 | -150.7 | 2.7 | 108.5 | ||||
| 116 | K | 53.4 | Low | 52 | Low | 198 Ų | 198 | 145.2 Ų | 145.2 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | trans | -48.9 | 134.9 | -176.8 | -76.8 | 167.5 | 170.9 | -179.5 | 0 | 111.7 | G118 | K116-G118 PolarHBondContact O-N 3.02Š| ||
| 117 | P | 59.3 | Low | 54.1 | Low | 132 Ų | 132 | 141.8 Ų | 141.8 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | trans | -65.3 | 101.8 | 158.7 | -9.4 | 25.3 | 0 | 0 | 0 | 106.7 | ||||
| 118 | G | 52.4 | Low | 56.5 | Low | 48 Ų | 48 | 139.3 Ų | 139.3 | 50% | 0.495 | 77% | 0.771 | S | S | . | * | trans | -60 | 151.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | K116 R120 | K116-G118 PolarHBondContact O-N 3.02Å; G118-R120 PolarHBondContact O-N 2.88Å | ||
| 119 | P | 57 | Low | 59 | Low | 132 Ų | 132 | 137.6 Ų | 137.6 | 86% | 0.857 | 76% | 0.758 | S | S | * | * | trans | -56.6 | 107.6 | 174.5 | -15.4 | 28.2 | 0 | 0 | 0 | 107.7 | ||||
| 120 | R | 56.9 | Low | 61.4 | Low | 213 Ų | 213 | 138.6 Ų | 138.6 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | trans | -65.9 | 134.7 | 161.9 | -61.2 | -170.5 | -164.8 | -131.1 | 5 | 104.3 | G118 D122 | G118-R120 PolarHBondContact O-N 2.88Å; R120-D122 VanDerWaalsContact C-N 3.33Å; R120-D122 PolarHBondContact O-N 3.04Å | ||
| 121 | P | 58 | Low | 63.4 | Low | 123 Ų | 123 | 136.8 Ų | 136.8 | 80% | 0.799 | 72% | 0.716 | S | S | * | * | trans | -59.9 | 104.9 | 176.3 | 24 | -29.8 | 0 | 0 | 0 | 106.7 | G123 | P121-G123 PolarHBondContact O-N 3.04Š| ||
| 122 | D | 46.5 | Very low | 65.7 | Low | 161 Ų | 161 | 129.6 Ų | 129.6 | 86% | 0.861 | 69% | 0.686 | S | S | * | * | trans | -69.1 | 56.1 | 167.5 | -64.2 | -47.5 | 0 | 0 | 0 | 107.9 | R120 | R120-D122 VanDerWaalsContact C-N 3.33Å; R120-D122 PolarHBondContact O-N 3.04Å | ||
| 123 | G | 57.6 | Low | 68 | Low | 41 Ų | 41 | 124.6 Ų | 124.6 | 42% | 0.423 | 67% | 0.667 | S | S | . | * | trans | -73.5 | 138.7 | 153.7 | 0 | 0 | 0 | 0 | 0 | 106.2 | P121 T125 | P121-G123 PolarHBondContact O-N 3.04Å; G123-T125 PolarHBondContact O-N 3.09Å | ||
| 124 | P | 61.5 | Low | 70.8 | Confident | 120 Ų | 120 | 118.4 Ų | 118.4 | 78% | 0.779 | 65% | 0.649 | S | S | * | * | trans | -58.5 | 106.5 | 177.5 | 25.2 | -31 | 0 | 0 | 0 | 106.9 | V126 | P124-V126 PolarHBondContact O-N 3.02Š| ||
| 125 | T | 63.1 | Low | 73.3 | Confident | 135 Ų | 135 | 122.3 Ų | 122.3 | 83% | 0.828 | 64% | 0.642 | S | S | * | * | trans | -70 | 81.4 | 169.2 | 43.1 | 0 | 0 | 0 | 0 | 105.4 | G123 S127 | G123-T125 PolarHBondContact O-N 3.09Å; T125-S127 PolarHBondContact O-N 3.14Å | ||
| 126 | V | 68.6 | Low | 75.1 | Confident | 64 Ų | 64 | 117.4 Ų | 117.4 | 39% | 0.388 | 62% | 0.624 | S | S | . | * | trans | -44.6 | 120.2 | 176 | 178.6 | 0 | 0 | 0 | 0 | 106 | P124 H128 E130 A131 | P124-V126 PolarHBondContact O-N 3.02Å; V126-H128 PolarHBondContact O-N 2.8Å; V126-E130 HydrophobicContact CG1-CB 3.39Å; V126-A131 HydrophobicContact CG1-CB 4.06Å | ||
| 127 | S | 87.6 | Confident | 77.2 | Confident | 57 Ų | 57 | 113.2 Ų | 113.2 | 40% | 0.399 | 61% | 0.607 | S | S | . | * | trans | -52.8 | 142.1 | -177.3 | 168.3 | 0 | 0 | 0 | 0 | 108.4 | T125 V129 E130 A131 | T125-S127 PolarHBondContact O-N 3.14Å; S127-V129 CarbonylContact O-C 3.57Å; S127-V129 PolarHBondContact O-N 3.23Å; S127-V129 PolarHBondContact OG-N 3.23Å; S127-E130 PolarHBondContact N-OE2 3.46Å; S127-E130 CarbonylContact O-C 3.54Å; S127-E130 WeakPolarHBondContact O-CA 3.39Å; S127-E130 WeakPolarHBondContact O-CB 3.46Å; S127-E130 PolarHBondContact O-N 3.48Å; S127-A131 PolarHBondContact O-N 2.99Å | ||
| 128 | H | 93.9 | Very high | 78.9 | Confident | 161 Ų | 161 | 110 Ų | 110 | 75% | 0.745 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -47.8 | -35.2 | 177 | 173.2 | -85.1 | 0 | 0 | 0 | 112 | V126 E132 | V126-H128 PolarHBondContact O-N 2.8Å; H128-E132 PolarHBondContact O-N 2.95Å; H128-E132 VanDerWaalsContact O-N 3.08Å |
| 129 | V | 94.5 | Very high | 81 | Confident | 96 Ų | 96 | 111.3 Ų | 111.3 | 58% | 0.582 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -66.6 | -43.1 | 175.1 | -179.8 | 0 | 0 | 0 | 0 | 112.4 | S127 R133 | S127-V129 CarbonylContact O-C 3.57Å; S127-V129 PolarHBondContact O-N 3.23Å; S127-V129 PolarHBondContact OG-N 3.23Å; V129-R133 WeakPolarHBondContact O-CB 3.29Å; V129-R133 PolarHBondContact O-N 3.4Å |
| 130 | E | 93.5 | Very high | 82.8 | Confident | 108 Ų | 108 | 108.5 Ų | 108.5 | 51% | 0.505 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -69.4 | -37.5 | 176.4 | -68.4 | 170.1 | 166.3 | 0 | 0 | 111.6 | V126 S127 R133 Q134 | V126-E130 HydrophobicContact CG1-CB 3.39Å; S127-E130 PolarHBondContact N-OE2 3.46Å; S127-E130 CarbonylContact O-C 3.54Å; S127-E130 WeakPolarHBondContact O-CA 3.39Å; S127-E130 WeakPolarHBondContact O-CB 3.46Å; S127-E130 PolarHBondContact O-N 3.48Å; E130-R133 WeakPolarHBondContact O-CB 3.42Å; E130-R133 PolarHBondContact O-N 3.35Å; E130-Q134 WeakPolarHBondContact O-CB 3.45Å; E130-Q134 PolarHBondContact O-N 2.95Å |
| 131 | A | 92.3 | Very high | 84.6 | Confident | 44 Ų | 44 | 104.9 Ų | 104.9 | 36% | 0.364 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.4 | -45.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111 | V126 S127 Q134 R135 | V126-A131 HydrophobicContact CG1-CB 4.06Å; S127-A131 PolarHBondContact O-N 2.99Å; A131-Q134 PolarHBondContact O-N 2.99Å; A131-R135 WeakPolarHBondContact O-CB 3.43Å; A131-R135 PolarHBondContact O-N 3.36Å |
| 132 | E | 96.4 | Very high | 86.4 | Confident | 57 Ų | 57 | 103.5 Ų | 103.5 | 27% | 0.266 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.1 | -34.5 | 175 | 174.3 | 57.9 | -167.9 | 0 | 0 | 112.2 | H128 R135 R136 | H128-E132 PolarHBondContact O-N 2.95Å; H128-E132 VanDerWaalsContact O-N 3.08Å; E132-R135 PolarHBondContact O-N 3.49Å; E132-R135 IonicContact OE1-NH1 3.47Å; E132-R135 WeakPolarHBondContact OE2-CD 3.45Å; E132-R135 IonicContact OE2-NH1 3.6Å; E132-R135 PolarHBondContact OE2-NH1 2.95Å; E132-R136 WeakPolarHBondContact O-CG 3.49Å; E132-R136 PolarHBondContact O-N 2.82Å; E132-R136 IonicContact OE1-CZ 2.68Å; E132-R136 IonicContact OE1-NE 3.46Å; E132-R136 PolarHBondContact OE1-NE 2.88Å; E132-R136 IonicContact OE1-NH2 2.61Å; E132-R136 PolarHBondContact OE1-NH2 3.4Å |
| 133 | R | 96.8 | Very high | 88.8 | Confident | 149 Ų | 149 | 97.2 Ų | 97.2 | 56% | 0.562 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -59.3 | -51.4 | 171.6 | 173.8 | -173.8 | -60.1 | -79 | -0.5 | 110.7 | V129 E130 R135 R136 E137 | V129-R133 WeakPolarHBondContact O-CB 3.29Å; V129-R133 PolarHBondContact O-N 3.4Å; E130-R133 WeakPolarHBondContact O-CB 3.42Å; E130-R133 PolarHBondContact O-N 3.35Å; R133-R135 VanDerWaalsContact C-N 3.29Å; R133-R135 PolarHBondContact O-N 3.37Å; R133-R136 PolarHBondContact O-N 2.85Å; R133-R136 VanDerWaalsContact O-N 3.1Å; R133-E137 WeakPolarHBondContact CD-OE1 3.24Å; R133-E137 HydrophobicContact CG-CG 4.48Å; R133-E137 WeakPolarHBondContact CG-OE1 3.05Å; R133-E137 WeakPolarHBondContact O-CG 3.5Å; R133-E137 PolarHBondContact O-N 3.29Å |
| 134 | Q | 95 | Very high | 90.5 | Very high | 124 Ų | 124 | 98.7 Ų | 98.7 | 58% | 0.579 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -59.2 | -41.6 | 178.9 | -172.6 | 178.7 | 18.5 | 0 | 0 | 111.3 | E130 A131 R136 E137 K138 | E130-Q134 WeakPolarHBondContact O-CB 3.45Å; E130-Q134 PolarHBondContact O-N 2.95Å; A131-Q134 PolarHBondContact O-N 2.99Å; Q134-R136 PolarHBondContact O-N 3.01Å; Q134-E137 PolarHBondContact O-N 3.22Å; Q134-K138 WeakPolarHBondContact O-CB 3.3Å; Q134-K138 PolarHBondContact O-N 2.87Å |
| 135 | R | 97 | Very high | 92.1 | Very high | 151 Ų | 151 | 94.8 Ų | 94.8 | 57% | 0.57 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -57.7 | -45.1 | 174.1 | 179.1 | 175.6 | 170.1 | -81.7 | -6.5 | 112.2 | A131 E132 R133 L139 | A131-R135 WeakPolarHBondContact O-CB 3.43Å; A131-R135 PolarHBondContact O-N 3.36Å; E132-R135 PolarHBondContact O-N 3.49Å; E132-R135 IonicContact OE1-NH1 3.47Å; E132-R135 WeakPolarHBondContact OE2-CD 3.45Å; E132-R135 IonicContact OE2-NH1 3.6Å; E132-R135 PolarHBondContact OE2-NH1 2.95Å; R133-R135 VanDerWaalsContact C-N 3.29Å; R133-R135 PolarHBondContact O-N 3.37Å; R135-L139 WeakPolarHBondContact O-CB 3.25Å; R135-L139 PolarHBondContact O-N 2.63Å |
| 136 | R | 96.9 | Very high | 93.6 | Very high | 152 Ų | 152 | 90 Ų | 90 | 57% | 0.574 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -68.6 | -39.3 | 178.4 | -70.9 | 180 | -174.1 | -170.4 | 1.6 | 112.8 | E132 R133 Q134 L139 N140 | E132-R136 WeakPolarHBondContact O-CG 3.49Å; E132-R136 PolarHBondContact O-N 2.82Å; E132-R136 IonicContact OE1-CZ 2.68Å; E132-R136 IonicContact OE1-NE 3.46Å; E132-R136 PolarHBondContact OE1-NE 2.88Å; E132-R136 IonicContact OE1-NH2 2.61Å; E132-R136 PolarHBondContact OE1-NH2 3.4Å; R133-R136 PolarHBondContact O-N 2.85Å; R133-R136 VanDerWaalsContact O-N 3.1Å; Q134-R136 PolarHBondContact O-N 3.01Å; R136-L139 PolarHBondContact O-N 3.35Å; R136-N140 WeakPolarHBondContact O-CB 3.45Å; R136-N140 VanDerWaalsContact O-CG 3.24Å; R136-N140 PolarHBondContact O-N 3.07Å; R136-N140 PolarHBondContact O-ND2 3.27Å |
| 137 | E | 96.9 | Very high | 94.8 | Very high | 109 Ų | 109 | 90.9 Ų | 90.9 | 51% | 0.509 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.4 | -46.6 | 176 | -73.9 | 170.8 | -167.8 | 0 | 0 | 111 | R133 Q134 L139 N140 R141 | R133-E137 WeakPolarHBondContact CD-OE1 3.24Å; R133-E137 HydrophobicContact CG-CG 4.48Å; R133-E137 WeakPolarHBondContact CG-OE1 3.05Å; R133-E137 WeakPolarHBondContact O-CG 3.5Å; R133-E137 PolarHBondContact O-N 3.29Å; Q134-E137 PolarHBondContact O-N 3.22Å; E137-L139 PolarHBondContact O-N 3.22Å; E137-N140 PolarHBondContact O-N 3.45Å; E137-R141 PolarHBondContact O-N 3.36Å |
| 138 | K | 95.2 | Very high | 95.1 | Very high | 64 Ų | 64 | 92.5 Ų | 92.5 | 28% | 0.278 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -57.8 | -46.7 | 174.3 | -176.6 | 176.4 | -178.5 | 175.7 | 0 | 112.1 | D42 D43 Q134 R141 R142 | D42-K138 WeakPolarHBondContact O-CE 3.44Å; D42-K138 PolarHBondContact O-NZ 3.01Å; D43-K138 IonicContact OD1-NZ 3.57Å; D43-K138 PolarHBondContact OD1-NZ 3.41Å; D43-K138 IonicContact OD2-NZ 3.3Å; D43-K138 PolarHBondContact OD2-NZ 3.15Å; Q134-K138 WeakPolarHBondContact O-CB 3.3Å; Q134-K138 PolarHBondContact O-N 2.87Å; K138-R141 PolarHBondContact O-N 3.36Å; K138-R142 PolarHBondContact O-N 3.46Å |
| 139 | L | 95.4 | Very high | 95.1 | Very high | 76 Ų | 76 | 87.7 Ų | 87.7 | 40% | 0.398 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.8 | -46.2 | 177.2 | -175.6 | 66.3 | 0 | 0 | 0 | 111.3 | R135 R136 E137 R141 R142 F143 | R135-L139 WeakPolarHBondContact O-CB 3.25Å; R135-L139 PolarHBondContact O-N 2.63Å; R136-L139 PolarHBondContact O-N 3.35Å; E137-L139 PolarHBondContact O-N 3.22Å; L139-R141 VanDerWaalsContact C-N 3.32Å; L139-R141 PolarHBondContact O-N 2.95Å; L139-R142 PolarHBondContact O-N 2.7Å; L139-F143 HydrophobicContact CD1-CD2 4.3Å; L139-F143 HydrophobicContact CD1-CE2 3.95Å; L139-F143 HydrophobicContact CD2-CE2 4.32Å; L139-F143 HydrophobicContact CG-CD2 4.03Å; L139-F143 HydrophobicContact CG-CE2 3.89Å; L139-F143 WeakPolarHBondContact O-CD2 3.3Å; L139-F143 PolarHBondContact O-N 2.86Å; L139-F143 VanDerWaalsContact O-N 3.07Å |
| 140 | N | 95.5 | Very high | 95.1 | Very high | 74 Ų | 74 | 83.6 Ų | 83.6 | 40% | 0.396 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.9 | -34.8 | 179.9 | -73 | -21.8 | 0 | 0 | 0 | 112.3 | R136 E137 F143 C144 K158 | R136-N140 WeakPolarHBondContact O-CB 3.45Å; R136-N140 VanDerWaalsContact O-CG 3.24Å; R136-N140 PolarHBondContact O-N 3.07Å; R136-N140 PolarHBondContact O-ND2 3.27Å; E137-N140 PolarHBondContact O-N 3.45Å; N140-F143 WeakPolarHBondContact O-CB 3.37Å; N140-F143 PolarHBondContact O-N 2.86Å; N140-C144 PolarHBondContact O-N 2.76Å; N140-C144 PolarHBondContact O-SG 2.77Å; N140-C144 VanDerWaalsContact O-SG 3.4Å; N140-K158 PolarHBondContact OD1-NZ 3.47Å |
| 141 | R | 95.4 | Very high | 95.1 | Very high | 136 Ų | 136 | 82.6 Ų | 82.6 | 51% | 0.513 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -58.3 | -49.3 | 171.6 | -177.2 | 176.1 | 176.3 | 178.1 | -2.8 | 111.3 | E137 K138 L139 F143 C144 D145 | E137-R141 PolarHBondContact O-N 3.36Å; K138-R141 PolarHBondContact O-N 3.36Å; L139-R141 VanDerWaalsContact C-N 3.32Å; L139-R141 PolarHBondContact O-N 2.95Å; R141-F143 VanDerWaalsContact C-N 3.28Å; R141-F143 PolarHBondContact O-N 2.79Å; R141-C144 WeakPolarHBondContact O-CA 3.5Å; R141-C144 VanDerWaalsContact O-CB 3.32Å; R141-C144 WeakPolarHBondContact O-CB 3.29Å; R141-C144 PolarHBondContact O-N 2.78Å; R141-D145 PolarHBondContact O-N 2.68Å |
| 142 | R | 95.5 | Very high | 95 | Very high | 94 Ų | 94 | 85.3 Ų | 85.3 | 36% | 0.355 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -60.1 | -35.6 | 176.6 | -65.5 | -176.3 | -178.5 | -135.2 | 3.6 | 112.7 | D42 D43 K138 L139 C144 D145 L146 | D42-R142 PolarHBondContact O-NH2 3.03Å; D42-R142 VanDerWaalsContact O-NH2 3.12Å; D43-R142 IonicContact OD2-NH2 3.29Å; K138-R142 PolarHBondContact O-N 3.46Å; L139-R142 PolarHBondContact O-N 2.7Å; R142-C144 VanDerWaalsContact C-N 3.35Å; R142-D145 PolarHBondContact O-N 2.92Å; R142-L146 WeakPolarHBondContact O-CB 3.46Å; R142-L146 PolarHBondContact O-N 2.84Å |
| 143 | F | 95.2 | Very high | 94.7 | Very high | 29 Ų | 29 | 85.1 Ų | 85.1 | 13% | 0.127 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -64.9 | -36.5 | 172.5 | -89 | -80.6 | 0 | 0 | 0 | 112.5 | L139 N140 R141 R147 K158 L161 L162 | L139-F143 HydrophobicContact CD1-CD2 4.3Å; L139-F143 HydrophobicContact CD1-CE2 3.95Å; L139-F143 HydrophobicContact CD2-CE2 4.32Å; L139-F143 HydrophobicContact CG-CD2 4.03Å; L139-F143 HydrophobicContact CG-CE2 3.89Å; L139-F143 WeakPolarHBondContact O-CD2 3.3Å; L139-F143 PolarHBondContact O-N 2.86Å; L139-F143 VanDerWaalsContact O-N 3.07Å; N140-F143 WeakPolarHBondContact O-CB 3.37Å; N140-F143 PolarHBondContact O-N 2.86Å; R141-F143 VanDerWaalsContact C-N 3.28Å; R141-F143 PolarHBondContact O-N 2.79Å; F143-R147 WeakPolarHBondContact O-CG 3.49Å; F143-R147 PolarHBondContact O-N 3.11Å; F143-R147 VanDerWaalsContact O-N 3.13Å; F143-K158 HydrophobicContact CD1-CB 4.45Å; F143-K158 HydrophobicContact CD1-CG 4.09Å; F143-K158 HydrophobicContact CD2-CD 4.42Å; F143-K158 HydrophobicContact CE1-CB 3.72Å; F143-K158 HydrophobicContact CE1-CD 4.15Å; F143-K158 HydrophobicContact CE1-CG 3.76Å; F143-K158 HydrophobicContact CE2-CD 4Å; F143-K158 HydrophobicContact CE2-CG 4.5Å; F143-K158 HydrophobicContact CZ-CB 3.99Å; F143-K158 HydrophobicContact CZ-CD 3.87Å; F143-K158 HydrophobicContact CZ-CG 4Å; F143-L161 HydrophobicContact CD1-CD2 3.84Å; F143-L161 HydrophobicContact CE1-CD2 4.46Å; F143-L162 HydrophobicContact CE1-CD2 4.44Å; F143-L162 HydrophobicContact CE1-CG 4.32Å; F143-L162 HydrophobicContact CZ-CD1 4.46Å |
| 144 | C | 93.3 | Very high | 94.4 | Very high | 72 Ų | 72 | 82.4 Ų | 82.4 | 49% | 0.486 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -66.3 | -44.2 | 173.2 | -65.8 | 0 | 0 | 0 | 0 | 111.5 | N140 R141 R142 L146 R147 A148 | N140-C144 PolarHBondContact O-N 2.76Å; N140-C144 PolarHBondContact O-SG 2.77Å; N140-C144 VanDerWaalsContact O-SG 3.4Å; R141-C144 WeakPolarHBondContact O-CA 3.5Å; R141-C144 VanDerWaalsContact O-CB 3.32Å; R141-C144 WeakPolarHBondContact O-CB 3.29Å; R141-C144 PolarHBondContact O-N 2.78Å; R142-C144 VanDerWaalsContact C-N 3.35Å; C144-L146 VanDerWaalsContact C-N 3.33Å; C144-L146 PolarHBondContact O-N 3.29Å; C144-R147 PolarHBondContact O-N 2.87Å; C144-A148 PolarHBondContact O-N 2.96Å |
| 145 | D | 95.2 | Very high | 94.1 | Very high | 38 Ų | 38 | 84.4 Ų | 84.4 | 20% | 0.203 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -62 | -42 | 176.7 | -61.5 | -36.2 | 0 | 0 | 0 | 111.2 | Q38 W39 R141 R142 R147 A148 A149 | Q38-D145 PolarHBondContact NE2-OD1 2.87Å; W39-D145 HydrophobicContact CZ2-CB 3.96Å; R141-D145 PolarHBondContact O-N 2.68Å; R142-D145 PolarHBondContact O-N 2.92Å; D145-R147 VanDerWaalsContact C-N 3.34Å; D145-R147 PolarHBondContact O-N 3.26Å; D145-A148 WeakPolarHBondContact O-CB 3.39Å; D145-A148 PolarHBondContact O-N 3.15Å; D145-A148 VanDerWaalsContact O-N 3.11Å; D145-A149 PolarHBondContact O-N 3.26Å; D145-A149 VanDerWaalsContact O-N 3.12Å |
| 146 | L | 95.5 | Very high | 93.7 | Very high | 34 Ų | 34 | 83.4 Ų | 83.4 | 18% | 0.178 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -62.2 | -40.2 | 176.9 | -176.2 | 62.1 | 0 | 0 | 0 | 112.1 | R142 C144 A148 A149 V150 L161 L162 A165 | R142-L146 WeakPolarHBondContact O-CB 3.46Å; R142-L146 PolarHBondContact O-N 2.84Å; C144-L146 VanDerWaalsContact C-N 3.33Å; C144-L146 PolarHBondContact O-N 3.29Å; L146-A148 PolarHBondContact O-N 2.83Å; L146-A149 PolarHBondContact O-N 3.45Å; L146-V150 HydrophobicContact CD1-CG2 3.93Å; L146-V150 HydrophobicContact CG-CG2 4.29Å; L146-V150 WeakPolarHBondContact O-CG2 3.36Å; L146-V150 PolarHBondContact O-N 3.4Å; L146-V150 VanDerWaalsContact O-N 3.08Å; L146-L161 HydrophobicContact CB-CD2 4.27Å; L146-L161 HydrophobicContact CD2-CD2 3.91Å; L146-L161 HydrophobicContact CD2-CG 3.99Å; L146-L161 HydrophobicContact CG-CD2 4.09Å; L146-L161 HydrophobicContact CG-CG 4.22Å; L146-L162 HydrophobicContact CD2-CD2 4Å; L146-A165 HydrophobicContact CD1-CB 4.01Å; L146-A165 HydrophobicContact CD2-CB 4.33Å; L146-A165 HydrophobicContact CG-CB 4.48Å |
| 147 | R | 94 | Very high | 93.5 | Very high | 84 Ų | 84 | 79.3 Ų | 79.3 | 32% | 0.317 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.6 | -32.1 | 174.6 | -74.3 | -173 | -169.2 | 129.3 | -6.2 | 112.7 | F143 C144 D145 M156 L161 | F143-R147 WeakPolarHBondContact O-CG 3.49Å; F143-R147 PolarHBondContact O-N 3.11Å; F143-R147 VanDerWaalsContact O-N 3.13Å; C144-R147 PolarHBondContact O-N 2.87Å; D145-R147 VanDerWaalsContact C-N 3.34Å; D145-R147 PolarHBondContact O-N 3.26Å; R147-M156 PolarHBondContact NE-SD 3.11Å; R147-M156 VanDerWaalsContact NE-SD 3.39Å; R147-M156 PolarHBondContact NH2-O 2.76Å; R147-L161 HydrophobicContact CG-CD1 3.84Å; R147-L161 HydrophobicContact CG-CD2 3.53Å; R147-L161 HydrophobicContact CG-CG 4.33Å |
| 148 | A | 93.1 | Very high | 93.4 | Very high | 91 Ų | 91 | 78.8 Ų | 78.8 | 75% | 0.752 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -74.2 | -28.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | C144 D145 L146 | C144-A148 PolarHBondContact O-N 2.96Å; D145-A148 WeakPolarHBondContact O-CB 3.39Å; D145-A148 PolarHBondContact O-N 3.15Å; D145-A148 VanDerWaalsContact O-N 3.11Å; L146-A148 PolarHBondContact O-N 2.83Å |
| 149 | A | 94.3 | Very high | 93.4 | Very high | 59 Ų | 59 | 79 Ų | 79 | 49% | 0.488 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -84.9 | -29.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | D145 L146 | D145-A149 PolarHBondContact O-N 3.26Å; D145-A149 VanDerWaalsContact O-N 3.12Å; L146-A149 PolarHBondContact O-N 3.45Å |
| 150 | V | 94.1 | Very high | 93.4 | Very high | 10 Ų | 10 | 76.5 Ų | 76.5 | 6% | 0.061 | 42% | 0.42 | C | S | . | . | trans | -87.3 | 121.7 | -178.8 | -179.2 | 0 | 0 | 0 | 0 | 110 | L146 T152 D164 A165 | L146-V150 HydrophobicContact CD1-CG2 3.93Å; L146-V150 HydrophobicContact CG-CG2 4.29Å; L146-V150 WeakPolarHBondContact O-CG2 3.36Å; L146-V150 PolarHBondContact O-N 3.4Å; L146-V150 VanDerWaalsContact O-N 3.08Å; V150-T152 VanDerWaalsContact C-N 3.3Å; V150-T152 VanDerWaalsContact CG1-O 3.3Å; V150-T152 WeakPolarHBondContact CG1-O 3.28Å; V150-T152 PolarHBondContact O-N 3.33Å; V150-D164 HydrophobicContact CG1-CB 4.26Å; V150-A165 HydrophobicContact CG2-CB 3.77Å | ||
| 151 | P | 93.5 | Very high | 93.4 | Very high | 88 Ų | 88 | 73 Ų | 73 | 57% | 0.571 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -63.6 | -31.8 | -175.4 | -24.5 | 34.3 | 0 | 0 | 0 | 114.6 | Y168 | P151-Y168 HydrophobicContact CG-CD2 4.21Å; P151-Y168 HydrophobicContact CG-CE1 4.09Å; P151-Y168 HydrophobicContact CG-CE2 3.69Å |
| 152 | T | 89.6 | Confident | 93.5 | Very high | 101 Ų | 101 | 71 Ų | 71 | 62% | 0.62 | 40% | 0.4 | S | S | * | . | trans | -128.1 | 117.9 | -176.6 | 55.5 | 0 | 0 | 0 | 0 | 110 | V150 | V150-T152 VanDerWaalsContact C-N 3.3Å; V150-T152 VanDerWaalsContact CG1-O 3.3Å; V150-T152 WeakPolarHBondContact CG1-O 3.28Å; V150-T152 PolarHBondContact O-N 3.33Å | ||
| 153 | V | 91.2 | Very high | 93.5 | Very high | 53 Ų | 53 | 69.4 Ų | 69.4 | 32% | 0.321 | 41% | 0.406 | S | S | . | . | trans | -111 | 107.4 | 173.3 | -178.6 | 0 | 0 | 0 | 0 | 108.1 | R155 L161 | V153-R155 WeakPolarHBondContact CG1-O 3.39Å; V153-L161 HydrophobicContact CB-CD1 4.44Å; V153-L161 HydrophobicContact CG1-CD1 3.97Å; V153-L161 HydrophobicContact CG2-CD1 3.67Å | ||
| 154 | S | 89.9 | Confident | 93.6 | Very high | 92 Ų | 92 | 69.6 Ų | 69.6 | 64% | 0.643 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -65.4 | -44.4 | -178 | 176.1 | 0 | 0 | 0 | 0 | 111.4 | D164 | S154-D164 WeakPolarHBondContact CB-OD2 3.4Å; S154-D164 PolarHBondContact N-OD2 3.41Å |
| 155 | R | 88.9 | Confident | 93.7 | Very high | 166 Ų | 166 | 66.7 Ų | 66.7 | 63% | 0.626 | 39% | 0.39 | S | S | * | . | trans | -141.4 | 150 | 176.8 | -63.6 | -179.9 | -179.3 | 165.1 | 0.9 | 111.1 | V153 D157 | V153-R155 WeakPolarHBondContact CG1-O 3.39Å; R155-D157 WeakPolarHBondContact CB-OD1 3.4Å; R155-D157 WeakPolarHBondContact CD-OD1 3.27Å; R155-D157 PolarHBondContact O-N 3.4Å | ||
| 156 | M | 88.6 | Confident | 93.8 | Very high | 129 Ų | 129 | 67.7 Ų | 67.7 | 64% | 0.635 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -74.4 | -6.2 | -177.5 | -155.2 | 61.2 | 65.9 | 0 | 0 | 113.5 | R147 | R147-M156 PolarHBondContact NE-SD 3.11Å; R147-M156 VanDerWaalsContact NE-SD 3.39Å; R147-M156 PolarHBondContact NH2-O 2.76Å |
| 157 | D | 93.2 | Very high | 93.9 | Very high | 66 Ų | 66 | 69 Ų | 69 | 35% | 0.353 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -73.8 | 155.9 | 177.2 | 74.2 | -92.1 | 0 | 0 | 0 | 112.1 | R155 A159 S160 L161 | R155-D157 WeakPolarHBondContact CB-OD1 3.4Å; R155-D157 WeakPolarHBondContact CD-OD1 3.27Å; R155-D157 PolarHBondContact O-N 3.4Å; D157-A159 VanDerWaalsContact C-N 3.34Å; D157-A159 PolarHBondContact O-N 3.31Å; D157-A159 PolarHBondContact OD2-N 3.24Å; D157-A159 VanDerWaalsContact OD2-N 3.12Å; D157-S160 WeakPolarHBondContact OD1-CB 3.37Å; D157-S160 PolarHBondContact OD1-OG 2.89Å; D157-S160 PolarHBondContact OD2-N 3.13Å; D157-S160 PolarHBondContact OD2-OG 3.47Å; D157-S160 VanDerWaalsContact OD2-OG 3.05Å; D157-L161 PolarHBondContact O-N 3.14Å |
| 158 | K | 94.3 | Very high | 94 | Very high | 98 Ų | 98 | 67.9 Ų | 67.9 | 43% | 0.426 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -66.7 | -33.8 | -173.2 | -67.4 | -174.1 | 174 | -171 | 0 | 113 | N140 F143 L162 | N140-K158 PolarHBondContact OD1-NZ 3.47Å; F143-K158 HydrophobicContact CD1-CB 4.45Å; F143-K158 HydrophobicContact CD1-CG 4.09Å; F143-K158 HydrophobicContact CD2-CD 4.42Å; F143-K158 HydrophobicContact CE1-CB 3.72Å; F143-K158 HydrophobicContact CE1-CD 4.15Å; F143-K158 HydrophobicContact CE1-CG 3.76Å; F143-K158 HydrophobicContact CE2-CD 4Å; F143-K158 HydrophobicContact CE2-CG 4.5Å; F143-K158 HydrophobicContact CZ-CB 3.99Å; F143-K158 HydrophobicContact CZ-CD 3.87Å; F143-K158 HydrophobicContact CZ-CG 4Å; K158-L162 WeakPolarHBondContact O-CG 3.44Å; K158-L162 PolarHBondContact O-N 3.35Å |
| 159 | A | 96 | Very high | 94.2 | Very high | 70 Ų | 70 | 67.6 Ų | 67.6 | 58% | 0.579 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -73.9 | -46.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | D157 L161 L162 A163 | D157-A159 VanDerWaalsContact C-N 3.34Å; D157-A159 PolarHBondContact O-N 3.31Å; D157-A159 PolarHBondContact OD2-N 3.24Å; D157-A159 VanDerWaalsContact OD2-N 3.12Å; A159-L161 VanDerWaalsContact C-N 3.34Å; A159-L161 PolarHBondContact O-N 2.91Å; A159-L162 PolarHBondContact O-N 3.35Å; A159-A163 PolarHBondContact O-N 3.29Å |
| 160 | S | 95.5 | Very high | 94.3 | Very high | 23 Ų | 23 | 67.8 Ų | 67.8 | 16% | 0.161 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -61.4 | -41.8 | 177.1 | -56 | 0 | 0 | 0 | 0 | 111.7 | D157 L162 A163 D164 | D157-S160 WeakPolarHBondContact OD1-CB 3.37Å; D157-S160 PolarHBondContact OD1-OG 2.89Å; D157-S160 PolarHBondContact OD2-N 3.13Å; D157-S160 PolarHBondContact OD2-OG 3.47Å; D157-S160 VanDerWaalsContact OD2-OG 3.05Å; S160-L162 VanDerWaalsContact C-N 3.33Å; S160-L162 PolarHBondContact O-N 2.78Å; S160-A163 PolarHBondContact O-N 2.78Å; S160-D164 VanDerWaalsContact O-CG 3.23Å; S160-D164 PolarHBondContact O-N 3.28Å |
| 161 | L | 95.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -60.2 | -40.9 | 176.5 | -177.9 | 67.1 | 0 | 0 | 0 | 112.9 | F143 L146 R147 V153 D157 A159 D164 A165 | F143-L161 HydrophobicContact CD1-CD2 3.84Å; F143-L161 HydrophobicContact CE1-CD2 4.46Å; L146-L161 HydrophobicContact CB-CD2 4.27Å; L146-L161 HydrophobicContact CD2-CD2 3.91Å; L146-L161 HydrophobicContact CD2-CG 3.99Å; L146-L161 HydrophobicContact CG-CD2 4.09Å; L146-L161 HydrophobicContact CG-CG 4.22Å; R147-L161 HydrophobicContact CG-CD1 3.84Å; R147-L161 HydrophobicContact CG-CD2 3.53Å; R147-L161 HydrophobicContact CG-CG 4.33Å; V153-L161 HydrophobicContact CB-CD1 4.44Å; V153-L161 HydrophobicContact CG1-CD1 3.97Å; V153-L161 HydrophobicContact CG2-CD1 3.67Å; D157-L161 PolarHBondContact O-N 3.14Å; A159-L161 VanDerWaalsContact C-N 3.34Å; A159-L161 PolarHBondContact O-N 2.91Å; L161-D164 PolarHBondContact O-N 3.37Å; L161-A165 WeakPolarHBondContact O-CB 3.32Å; L161-A165 PolarHBondContact O-N 3.34Å |
| 162 | L | 96.6 | Very high | 94.7 | Very high | 94 Ų | 94 | 70 Ų | 70 | 49% | 0.492 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -67.6 | -38 | 177.8 | -69.3 | 173.7 | 0 | 0 | 0 | 111.6 | F143 L146 K158 A159 S160 A166 | F143-L162 HydrophobicContact CE1-CD2 4.44Å; F143-L162 HydrophobicContact CE1-CG 4.32Å; F143-L162 HydrophobicContact CZ-CD1 4.46Å; L146-L162 HydrophobicContact CD2-CD2 4Å; K158-L162 WeakPolarHBondContact O-CG 3.44Å; K158-L162 PolarHBondContact O-N 3.35Å; A159-L162 PolarHBondContact O-N 3.35Å; S160-L162 VanDerWaalsContact C-N 3.33Å; S160-L162 PolarHBondContact O-N 2.78Å; L162-A166 WeakPolarHBondContact O-CB 3.29Å; L162-A166 PolarHBondContact O-N 2.61Å |
| 163 | A | 95.9 | Very high | 95 | Very high | 60 Ų | 60 | 73.8 Ų | 73.8 | 50% | 0.496 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.4 | -45.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A159 S160 A165 A166 A167 | A159-A163 PolarHBondContact O-N 3.29Å; S160-A163 PolarHBondContact O-N 2.78Å; A163-A165 PolarHBondContact O-N 2.72Å; A163-A166 PolarHBondContact O-N 2.78Å; A163-A167 PolarHBondContact O-N 2.72Å |
| 164 | D | 96.6 | Very high | 95.3 | Very high | 34 Ų | 34 | 72.8 Ų | 72.8 | 18% | 0.182 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -62.2 | -42.6 | 177.2 | -66.4 | -22.9 | 0 | 0 | 0 | 111.3 | V150 S154 S160 L161 A166 A167 Y168 | V150-D164 HydrophobicContact CG1-CB 4.26Å; S154-D164 WeakPolarHBondContact CB-OD2 3.4Å; S154-D164 PolarHBondContact N-OD2 3.41Å; S160-D164 VanDerWaalsContact O-CG 3.23Å; S160-D164 PolarHBondContact O-N 3.28Å; L161-D164 PolarHBondContact O-N 3.37Å; D164-A166 PolarHBondContact O-N 3.41Å; D164-A167 PolarHBondContact O-N 3.39Å; D164-Y168 WeakPolarHBondContact O-CB 3.38Å; D164-Y168 PolarHBondContact O-N 3.02Å |
| 165 | A | 96.8 | Very high | 95.7 | Very high | 11 Ų | 11 | 73.4 Ų | 73.4 | 9% | 0.091 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -61.3 | -44.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L146 V150 L161 A163 Y168 I169 | L146-A165 HydrophobicContact CD1-CB 4.01Å; L146-A165 HydrophobicContact CD2-CB 4.33Å; L146-A165 HydrophobicContact CG-CB 4.48Å; V150-A165 HydrophobicContact CG2-CB 3.77Å; L161-A165 WeakPolarHBondContact O-CB 3.32Å; L161-A165 PolarHBondContact O-N 3.34Å; A163-A165 PolarHBondContact O-N 2.72Å; A165-Y168 PolarHBondContact O-N 3.2Å; A165-I169 WeakPolarHBondContact O-CG1 3.41Å; A165-I169 PolarHBondContact O-N 3.35Å |
| 166 | A | 96.5 | Very high | 96.1 | Very high | 59 Ų | 59 | 70 Ų | 70 | 49% | 0.488 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.8 | -41.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L162 A163 D164 I169 A170 | L162-A166 WeakPolarHBondContact O-CB 3.29Å; L162-A166 PolarHBondContact O-N 2.61Å; A163-A166 PolarHBondContact O-N 2.78Å; D164-A166 PolarHBondContact O-N 3.41Å; A166-I169 PolarHBondContact O-N 2.88Å; A166-A170 PolarHBondContact O-N 2.91Å |
| 167 | A | 96.6 | Very high | 96.4 | Very high | 60 Ų | 60 | 66.2 Ų | 66.2 | 50% | 0.496 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.1 | -44 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A163 D164 I169 A170 E171 | A163-A167 PolarHBondContact O-N 2.72Å; D164-A167 PolarHBondContact O-N 3.39Å; A167-I169 PolarHBondContact O-N 2.81Å; A167-A170 PolarHBondContact O-N 3.42Å; A167-E171 PolarHBondContact O-N 3.4Å |
| 168 | Y | 97.1 | Very high | 96.6 | Very high | 61 Ų | 61 | 70.1 Ų | 70.1 | 24% | 0.239 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63.1 | -41.1 | 177.5 | -176.5 | -126.6 | 0 | 0 | 0 | 112.4 | P151 D164 A165 A170 E171 L172 | P151-Y168 HydrophobicContact CG-CD2 4.21Å; P151-Y168 HydrophobicContact CG-CE1 4.09Å; P151-Y168 HydrophobicContact CG-CE2 3.69Å; D164-Y168 WeakPolarHBondContact O-CB 3.38Å; D164-Y168 PolarHBondContact O-N 3.02Å; A165-Y168 PolarHBondContact O-N 3.2Å; Y168-A170 VanDerWaalsContact C-N 3.35Å; Y168-A170 PolarHBondContact O-N 3.01Å; Y168-E171 PolarHBondContact O-N 2.83Å; Y168-L172 HydrophobicContact CD1-CD1 4.06Å; Y168-L172 HydrophobicContact CD2-CG 4.29Å; Y168-L172 HydrophobicContact CE1-CD1 3.61Å; Y168-L172 HydrophobicContact CE1-CG 4.23Å; Y168-L172 HydrophobicContact CE2-CD1 4.22Å; Y168-L172 HydrophobicContact CE2-CD2 3.98Å; Y168-L172 HydrophobicContact CE2-CG 3.92Å; Y168-L172 WeakPolarHBondContact O-CG 3.34Å; Y168-L172 PolarHBondContact O-N 3.02Å |
| 169 | I | 97.3 | Very high | 96.6 | Very high | 85 Ų | 85 | 71 Ų | 71 | 44% | 0.436 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.1 | -43.6 | 173.9 | -68.6 | 165.9 | 0 | 0 | 0 | 111.1 | A165 A166 A167 E171 L172 R173 | A165-I169 WeakPolarHBondContact O-CG1 3.41Å; A165-I169 PolarHBondContact O-N 3.35Å; A166-I169 PolarHBondContact O-N 2.88Å; A167-I169 PolarHBondContact O-N 2.81Å; I169-E171 VanDerWaalsContact C-N 3.33Å; I169-E171 PolarHBondContact O-N 2.79Å; I169-L172 PolarHBondContact O-N 2.76Å; I169-R173 WeakPolarHBondContact O-CB 3.47Å; I169-R173 VanDerWaalsContact O-CG 3.3Å; I169-R173 WeakPolarHBondContact O-CG 3.36Å; I169-R173 PolarHBondContact O-N 3.15Å |
| 170 | A | 97.3 | Very high | 96.4 | Very high | 63 Ų | 63 | 72.3 Ų | 72.3 | 52% | 0.521 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63 | -40.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A166 A167 Y168 R173 G174 | A166-A170 PolarHBondContact O-N 2.91Å; A167-A170 PolarHBondContact O-N 3.42Å; Y168-A170 VanDerWaalsContact C-N 3.35Å; Y168-A170 PolarHBondContact O-N 3.01Å; A170-R173 PolarHBondContact O-N 3.26Å; A170-G174 PolarHBondContact O-N 2.88Å |
| 171 | E | 97 | Very high | 96.1 | Very high | 85 Ų | 85 | 72.6 Ų | 72.6 | 40% | 0.397 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.7 | -48.5 | 174.8 | -169.9 | -170.2 | 175.9 | 0 | 0 | 112 | A167 Y168 I169 R173 G174 R175 | A167-E171 PolarHBondContact O-N 3.4Å; Y168-E171 PolarHBondContact O-N 2.83Å; I169-E171 VanDerWaalsContact C-N 3.33Å; I169-E171 PolarHBondContact O-N 2.79Å; E171-R173 VanDerWaalsContact C-N 3.33Å; E171-R173 PolarHBondContact O-N 2.82Å; E171-G174 CarbonylContact O-C 3.54Å; E171-G174 WeakPolarHBondContact O-CA 3.45Å; E171-G174 PolarHBondContact O-N 3.35Å; E171-G174 VanDerWaalsContact O-N 3.1Å; E171-R175 WeakPolarHBondContact O-CG 3.36Å; E171-R175 PolarHBondContact O-N 3.46Å; E171-R175 IonicContact OE1-CZ 2.81Å; E171-R175 IonicContact OE1-NE 3.46Å; E171-R175 PolarHBondContact OE1-NE 2.82Å; E171-R175 IonicContact OE1-NH2 3.85Å; E171-R175 PolarHBondContact OE1-NH2 3.09Å; E171-R175 IonicContact OE2-NH2 2.9Å |
| 172 | L | 97.6 | Very high | 95.6 | Very high | 60 Ų | 60 | 76.2 Ų | 76.2 | 31% | 0.314 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -59.2 | -44 | 177.8 | -73.5 | 180 | 0 | 0 | 0 | 111.5 | Y168 I169 G174 R175 I176 | Y168-L172 HydrophobicContact CD1-CD1 4.06Å; Y168-L172 HydrophobicContact CD2-CG 4.29Å; Y168-L172 HydrophobicContact CE1-CD1 3.61Å; Y168-L172 HydrophobicContact CE1-CG 4.23Å; Y168-L172 HydrophobicContact CE2-CD1 4.22Å; Y168-L172 HydrophobicContact CE2-CD2 3.98Å; Y168-L172 HydrophobicContact CE2-CG 3.92Å; Y168-L172 WeakPolarHBondContact O-CG 3.34Å; Y168-L172 PolarHBondContact O-N 3.02Å; I169-L172 PolarHBondContact O-N 2.76Å; L172-G174 VanDerWaalsContact C-N 3.31Å; L172-G174 PolarHBondContact O-N 3.17Å; L172-R175 PolarHBondContact O-N 3.05Å; L172-R175 VanDerWaalsContact O-N 3.16Å; L172-I176 WeakPolarHBondContact O-CG1 3.46Å; L172-I176 PolarHBondContact O-N 3.24Å |
| 173 | R | 97.5 | Very high | 95 | Very high | 181 Ų | 181 | 75 Ų | 75 | 68% | 0.683 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -58.6 | -42.7 | 173.6 | -73.9 | 174.6 | 172.7 | -180 | -1.9 | 111.9 | I169 A170 E171 I176 A177 | I169-R173 WeakPolarHBondContact O-CB 3.47Å; I169-R173 VanDerWaalsContact O-CG 3.3Å; I169-R173 WeakPolarHBondContact O-CG 3.36Å; I169-R173 PolarHBondContact O-N 3.15Å; A170-R173 PolarHBondContact O-N 3.26Å; E171-R173 VanDerWaalsContact C-N 3.33Å; E171-R173 PolarHBondContact O-N 2.82Å; R173-I176 PolarHBondContact O-N 3.1Å; R173-A177 WeakPolarHBondContact O-CB 3.46Å; R173-A177 PolarHBondContact O-N 3.43Å |
| 174 | G | 97.4 | Very high | 94.1 | Very high | 31 Ų | 31 | 79 Ų | 79 | 32% | 0.32 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -67.2 | -33.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | A170 E171 L172 R178 | A170-G174 PolarHBondContact O-N 2.88Å; E171-G174 CarbonylContact O-C 3.54Å; E171-G174 WeakPolarHBondContact O-CA 3.45Å; E171-G174 PolarHBondContact O-N 3.35Å; E171-G174 VanDerWaalsContact O-N 3.1Å; L172-G174 VanDerWaalsContact C-N 3.31Å; L172-G174 PolarHBondContact O-N 3.17Å; G174-R178 WeakPolarHBondContact O-CG 3.44Å; G174-R178 PolarHBondContact O-N 2.85Å; G174-R178 VanDerWaalsContact O-N 3.16Å; G174-R178 PolarHBondContact O-NE 3.11Å |
| 175 | R | 97.2 | Very high | 93.2 | Very high | 106 Ų | 106 | 85.2 Ų | 85.2 | 40% | 0.4 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -67 | -46.6 | 172.8 | -71.3 | 175.3 | -175.2 | -170.5 | 1 | 111 | E171 L172 R178 L179 | E171-R175 WeakPolarHBondContact O-CG 3.36Å; E171-R175 PolarHBondContact O-N 3.46Å; E171-R175 IonicContact OE1-CZ 2.81Å; E171-R175 IonicContact OE1-NE 3.46Å; E171-R175 PolarHBondContact OE1-NE 2.82Å; E171-R175 IonicContact OE1-NH2 3.85Å; E171-R175 PolarHBondContact OE1-NH2 3.09Å; E171-R175 IonicContact OE2-NH2 2.9Å; L172-R175 PolarHBondContact O-N 3.05Å; L172-R175 VanDerWaalsContact O-N 3.16Å; R175-R178 VanDerWaalsContact CG-NH2 3.33Å; R175-R178 PolarHBondContact O-N 2.88Å; R175-L179 WeakPolarHBondContact O-CG 3.07Å; R175-L179 PolarHBondContact O-N 2.81Å |
| 176 | I | 97.1 | Very high | 92.1 | Very high | 93 Ų | 93 | 86.8 Ų | 86.8 | 48% | 0.477 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -58.4 | -50.2 | 176 | -67.8 | 166.1 | 0 | 0 | 0 | 110.3 | L172 R173 R178 L179 E180 | L172-I176 WeakPolarHBondContact O-CG1 3.46Å; L172-I176 PolarHBondContact O-N 3.24Å; R173-I176 PolarHBondContact O-N 3.1Å; I176-R178 VanDerWaalsContact C-N 3.29Å; I176-R178 PolarHBondContact O-N 2.8Å; I176-L179 PolarHBondContact O-N 2.78Å; I176-L179 VanDerWaalsContact O-N 3.15Å; I176-E180 HydrophobicContact CG2-CG 4.18Å; I176-E180 WeakPolarHBondContact CG2-OE1 3.34Å; I176-E180 WeakPolarHBondContact O-CB 3.45Å; I176-E180 WeakPolarHBondContact O-CG 3.4Å; I176-E180 PolarHBondContact O-N 2.84Å |
| 177 | A | 96.1 | Very high | 90.8 | Very high | 51 Ų | 51 | 86.5 Ų | 86.5 | 42% | 0.421 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -58.5 | -39.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | R173 A181 | R173-A177 WeakPolarHBondContact O-CB 3.46Å; R173-A177 PolarHBondContact O-N 3.43Å; A177-A181 WeakPolarHBondContact O-CB 3.42Å; A177-A181 PolarHBondContact O-N 2.84Å |
| 178 | R | 96 | Very high | 89 | Confident | 147 Ų | 147 | 87.7 Ų | 87.7 | 56% | 0.555 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -65.5 | -50.2 | 173.9 | -77 | -179.3 | -69.9 | -179.6 | -1 | 111.8 | G174 R175 I176 E180 A181 D182 | G174-R178 WeakPolarHBondContact O-CG 3.44Å; G174-R178 PolarHBondContact O-N 2.85Å; G174-R178 VanDerWaalsContact O-N 3.16Å; G174-R178 PolarHBondContact O-NE 3.11Å; R175-R178 VanDerWaalsContact CG-NH2 3.33Å; R175-R178 PolarHBondContact O-N 2.88Å; I176-R178 VanDerWaalsContact C-N 3.29Å; I176-R178 PolarHBondContact O-N 2.8Å; R178-E180 VanDerWaalsContact C-N 3.32Å; R178-E180 PolarHBondContact O-N 2.88Å; R178-A181 WeakPolarHBondContact O-CB 3.31Å; R178-A181 PolarHBondContact O-N 3.05Å; R178-A181 VanDerWaalsContact O-N 3.11Å; R178-D182 WeakPolarHBondContact O-CB 3.41Å; R178-D182 VanDerWaalsContact O-CG 3.27Å; R178-D182 PolarHBondContact O-N 3.4Å |
| 179 | L | 94.4 | Very high | 87.3 | Confident | 118 Ų | 118 | 88.3 Ų | 88.3 | 62% | 0.618 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -61.5 | -39.4 | 179.5 | -72.9 | 173.3 | 0 | 0 | 0 | 112.3 | R175 I176 D182 S183 | R175-L179 WeakPolarHBondContact O-CG 3.07Å; R175-L179 PolarHBondContact O-N 2.81Å; I176-L179 PolarHBondContact O-N 2.78Å; I176-L179 VanDerWaalsContact O-N 3.15Å; L179-D182 PolarHBondContact O-N 2.87Å; L179-S183 WeakPolarHBondContact O-CB 3.27Å; L179-S183 PolarHBondContact O-N 2.93Å |
| 180 | E | 91.7 | Very high | 85.7 | Confident | 96 Ų | 96 | 89.1 Ų | 89.1 | 45% | 0.449 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -67.1 | -38.8 | 173.9 | -72.7 | -178.2 | -176 | 0 | 0 | 112.3 | I176 R178 S183 R184 | I176-E180 HydrophobicContact CG2-CG 4.18Å; I176-E180 WeakPolarHBondContact CG2-OE1 3.34Å; I176-E180 WeakPolarHBondContact O-CB 3.45Å; I176-E180 WeakPolarHBondContact O-CG 3.4Å; I176-E180 PolarHBondContact O-N 2.84Å; R178-E180 VanDerWaalsContact C-N 3.32Å; R178-E180 PolarHBondContact O-N 2.88Å; E180-S183 PolarHBondContact O-N 3.03Å; E180-R184 WeakPolarHBondContact O-CB 3.38Å; E180-R184 VanDerWaalsContact O-CG 3.32Å; E180-R184 WeakPolarHBondContact O-CG 3.19Å; E180-R184 PolarHBondContact O-N 2.81Å; E180-R184 IonicContact OE2-NH1 3.3Å; E180-R184 PolarHBondContact OE2-NH1 3.44Å |
| 181 | A | 90.1 | Very high | 84.1 | Confident | 30 Ų | 30 | 88.2 Ų | 88.2 | 25% | 0.248 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -66.2 | -41.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | A177 R178 R184 R185 | A177-A181 WeakPolarHBondContact O-CB 3.42Å; A177-A181 PolarHBondContact O-N 2.84Å; R178-A181 WeakPolarHBondContact O-CB 3.31Å; R178-A181 PolarHBondContact O-N 3.05Å; R178-A181 VanDerWaalsContact O-N 3.11Å; A181-R184 PolarHBondContact O-N 3.47Å; A181-R185 WeakPolarHBondContact O-CB 3.31Å; A181-R185 VanDerWaalsContact O-CG 3.31Å; A181-R185 WeakPolarHBondContact O-CG 3.36Å; A181-R185 PolarHBondContact O-N 3.19Å |
| 182 | D | 85.9 | Confident | 82.4 | Confident | 75 Ų | 75 | 88.5 Ų | 88.5 | 40% | 0.401 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.1 | -43.9 | 173.4 | -68.3 | -20.3 | 0 | 0 | 0 | 111.1 | R178 L179 R185 A186 | R178-D182 WeakPolarHBondContact O-CB 3.41Å; R178-D182 VanDerWaalsContact O-CG 3.27Å; R178-D182 PolarHBondContact O-N 3.4Å; L179-D182 PolarHBondContact O-N 2.87Å; D182-R185 PolarHBondContact O-N 3.34Å; D182-R185 IonicContact OD1-CZ 3.37Å; D182-R185 IonicContact OD1-NE 2.78Å; D182-R185 IonicContact OD1-NH2 3.37Å; D182-R185 PolarHBondContact OD1-NH2 3.16Å; D182-A186 VanDerWaalsContact O-CB 3.27Å; D182-A186 WeakPolarHBondContact O-CB 3.37Å; D182-A186 PolarHBondContact O-N 3.12Å |
| 183 | S | 82.1 | Confident | 80.8 | Confident | 68 Ų | 68 | 91.5 Ų | 91.5 | 48% | 0.476 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 175.5 | -174.7 | 0 | 0 | 0 | 0 | 111.8 | L179 E180 A186 A187 | L179-S183 WeakPolarHBondContact O-CB 3.27Å; L179-S183 PolarHBondContact O-N 2.93Å; E180-S183 PolarHBondContact O-N 3.03Å; S183-A186 CarbonylContact O-C 3.53Å; S183-A186 PolarHBondContact O-N 3.16Å; S183-A187 WeakPolarHBondContact O-CB 3.31Å; S183-A187 PolarHBondContact O-N 2.92Å |
| 184 | R | 78.4 | Confident | 78.9 | Confident | 144 Ų | 144 | 84 Ų | 84 | 54% | 0.543 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64.5 | -41.3 | 173.8 | -77.7 | -174.4 | -65.9 | -94.1 | -2.3 | 112.2 | E180 A181 A187 A188 | E180-R184 WeakPolarHBondContact O-CB 3.38Å; E180-R184 VanDerWaalsContact O-CG 3.32Å; E180-R184 WeakPolarHBondContact O-CG 3.19Å; E180-R184 PolarHBondContact O-N 2.81Å; E180-R184 IonicContact OE2-NH1 3.3Å; E180-R184 PolarHBondContact OE2-NH1 3.44Å; A181-R184 PolarHBondContact O-N 3.47Å; R184-A187 PolarHBondContact O-N 3.15Å; R184-A188 WeakPolarHBondContact O-CB 3.49Å; R184-A188 PolarHBondContact O-N 2.9Å |
| 185 | R | 77.7 | Confident | 77 | Confident | 166 Ų | 166 | 85.8 Ų | 85.8 | 63% | 0.626 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -64.3 | -43.4 | 174.5 | -75.7 | -172.5 | -74.4 | -164.1 | -1.8 | 111.3 | A181 D182 A187 A188 A189 | A181-R185 WeakPolarHBondContact O-CB 3.31Å; A181-R185 VanDerWaalsContact O-CG 3.31Å; A181-R185 WeakPolarHBondContact O-CG 3.36Å; A181-R185 PolarHBondContact O-N 3.19Å; D182-R185 PolarHBondContact O-N 3.34Å; D182-R185 IonicContact OD1-CZ 3.37Å; D182-R185 IonicContact OD1-NE 2.78Å; D182-R185 IonicContact OD1-NH2 3.37Å; D182-R185 PolarHBondContact OD1-NH2 3.16Å; R185-A187 VanDerWaalsContact C-N 3.32Å; R185-A188 PolarHBondContact O-N 2.82Å; R185-A189 WeakPolarHBondContact O-CB 3.4Å; R185-A189 PolarHBondContact O-N 3.45Å |
| 186 | A | 74.2 | Confident | 75.4 | Confident | 43 Ų | 43 | 83.1 Ų | 83.1 | 36% | 0.355 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.4 | -37.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | D182 S183 A189 R190 | D182-A186 VanDerWaalsContact O-CB 3.27Å; D182-A186 WeakPolarHBondContact O-CB 3.37Å; D182-A186 PolarHBondContact O-N 3.12Å; S183-A186 CarbonylContact O-C 3.53Å; S183-A186 PolarHBondContact O-N 3.16Å; A186-A189 CarbonylContact O-C 3.56Å; A186-A189 PolarHBondContact O-N 3.29Å; A186-R190 WeakPolarHBondContact O-CA 3.48Å; A186-R190 WeakPolarHBondContact O-CB 3.42Å; A186-R190 WeakPolarHBondContact O-CG 3.23Å; A186-R190 PolarHBondContact O-N 2.98Å |
| 187 | A | 68 | Low | 73.4 | Confident | 54 Ų | 54 | 79 Ų | 79 | 45% | 0.446 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -67.5 | -41.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | S183 R184 R185 A189 R190 | S183-A187 WeakPolarHBondContact O-CB 3.31Å; S183-A187 PolarHBondContact O-N 2.92Å; R184-A187 PolarHBondContact O-N 3.15Å; R185-A187 VanDerWaalsContact C-N 3.32Å; A187-A189 VanDerWaalsContact C-N 3.29Å; A187-A189 PolarHBondContact O-N 3.27Å; A187-R190 WeakPolarHBondContact O-CB 3.47Å; A187-R190 PolarHBondContact O-N 2.83Å |
| 188 | A | 59.6 | Low | 71.5 | Confident | 84 Ų | 84 | 77.6 Ų | 77.6 | 69% | 0.694 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -65.2 | -33.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | R184 R185 R190 | R184-A188 WeakPolarHBondContact O-CB 3.49Å; R184-A188 PolarHBondContact O-N 2.9Å; R185-A188 PolarHBondContact O-N 2.82Å; A188-R190 VanDerWaalsContact C-N 3.3Å |
| 189 | A | 61.6 | Low | 69.8 | Low | 74 Ų | 74 | 74.6 Ų | 74.6 | 61% | 0.612 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -10.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | R185 A186 A187 | R185-A189 WeakPolarHBondContact O-CB 3.4Å; R185-A189 PolarHBondContact O-N 3.45Å; A186-A189 CarbonylContact O-C 3.56Å; A186-A189 PolarHBondContact O-N 3.29Å; A187-A189 VanDerWaalsContact C-N 3.29Å; A187-A189 PolarHBondContact O-N 3.27Å |
| 190 | R | 63 | Low | 68 | Low | 102 Ų | 102 | 73.8 Ų | 73.8 | 39% | 0.385 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -27.7 | -167.2 | -104.1 | 164.5 | 139 | 131.4 | 1.9 | 112.8 | A186 A187 A188 R210 | A186-R190 WeakPolarHBondContact O-CA 3.48Å; A186-R190 WeakPolarHBondContact O-CB 3.42Å; A186-R190 WeakPolarHBondContact O-CG 3.23Å; A186-R190 PolarHBondContact O-N 2.98Å; A187-R190 WeakPolarHBondContact O-CB 3.47Å; A187-R190 PolarHBondContact O-N 2.83Å; A188-R190 VanDerWaalsContact C-N 3.3Å; R190-R210 WeakPolarHBondContact O-CD 3.33Å; R190-R210 PolarHBondContact O-NH1 3.32Å |
| 191 | W | 63.3 | Low | 66 | Low | 44 Ų | 44 | 71.6 Ų | 71.6 | 17% | 0.167 | 43% | 0.434 | C | S | . | . | trans | -156.2 | 135.6 | 178.7 | -59.7 | 106.8 | 0 | 0 | 0 | 111.2 | E208 R210 A218 R220 | W191-E208 HydrophobicContact CE3-CB 4.24Å; W191-E208 VanDerWaalsContact CE3-OE2 3.29Å; W191-E208 HydrophobicContact CH2-CB 4.48Å; W191-E208 HydrophobicContact CZ3-CB 3.54Å; W191-R210 HydrophobicContact CH2-CB 4.36Å; W191-R210 HydrophobicContact CH2-CG 4.01Å; W191-R210 HydrophobicContact CZ3-CG 3.95Å; W191-A218 HydrophobicContact CH2-CB 4.37Å; W191-A218 HydrophobicContact CZ2-CB 3.76Å; W191-R220 VanDerWaalsContact CD1-NH2 3.31Å; W191-R220 HydrophobicContact CD2-CB 3.95Å; W191-R220 HydrophobicContact CE3-CB 3.63Å; W191-R220 HydrophobicContact CE3-CG 4.28Å; W191-R220 HydrophobicContact CH2-CB 3.51Å; W191-R220 HydrophobicContact CZ2-CB 3.82Å; W191-R220 HydrophobicContact CZ3-CB 3.43Å; W191-R220 VanDerWaalsContact CZ3-CB 3.43Å; W191-R220 HydrophobicContact CZ3-CG 4.49Å | ||
| 192 | V | 62 | Low | 64.4 | Low | 92 Ų | 92 | 74.5 Ų | 74.5 | 56% | 0.558 | 47% | 0.467 | S | S | * | . | trans | -64.8 | 145.2 | 165.7 | 178.3 | 0 | 0 | 0 | 0 | 108 | A196 | V192-A196 HydrophobicContact CG1-CB 4.06Š| ||
| 193 | D | 63.8 | Low | 63.3 | Low | 122 Ų | 122 | 73.6 Ų | 73.6 | 65% | 0.652 | 47% | 0.47 | S | S | * | . | trans | -50.5 | 130.7 | -179.5 | -76.6 | -48.4 | 0 | 0 | 0 | 110.7 | V195 A196 A197 | D193-V195 PolarHBondContact O-N 3.29Å; D193-A196 HydrophobicContact CB-CB 4.31Å; D193-A196 WeakPolarHBondContact O-CA 3.43Å; D193-A196 WeakPolarHBondContact O-CB 3.35Å; D193-A196 PolarHBondContact O-N 3.29Å; D193-A197 PolarHBondContact O-N 2.99Å | ||
| 194 | P | 58.1 | Low | 63.1 | Low | 25 Ų | 25 | 75.1 Ų | 75.1 | 16% | 0.162 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -60.1 | -27 | -173.3 | 23.6 | -33.7 | 0 | 0 | 0 | 112.4 | A198 V256 | P194-A198 VanDerWaalsContact O-CB 3.3Å; P194-A198 WeakPolarHBondContact O-CB 3.49Å; P194-A198 PolarHBondContact O-N 3.27Å; P194-V256 HydrophobicContact CB-CG1 4.26Å; P194-V256 HydrophobicContact CB-CG2 3.59Å; P194-V256 HydrophobicContact CG-CG2 4.12Å |
| 195 | V | 57.2 | Low | 63.4 | Low | 67 Ų | 67 | 69.4 Ų | 69.4 | 41% | 0.406 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -71.2 | -38 | 175.7 | -179.5 | 0 | 0 | 0 | 0 | 111.6 | D193 A199 V251 | D193-V195 PolarHBondContact O-N 3.29Å; V195-A199 WeakPolarHBondContact O-CB 3.48Å; V195-A199 PolarHBondContact O-N 3.49Å; V195-V251 HydrophobicContact CG2-CG1 4.47Å |
| 196 | A | 62.3 | Low | 63.8 | Low | 50 Ų | 50 | 62 Ų | 62 | 41% | 0.413 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -73.2 | -40.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | V192 D193 A199 S200 | V192-A196 HydrophobicContact CG1-CB 4.06Å; D193-A196 HydrophobicContact CB-CB 4.31Å; D193-A196 WeakPolarHBondContact O-CA 3.43Å; D193-A196 WeakPolarHBondContact O-CB 3.35Å; D193-A196 PolarHBondContact O-N 3.29Å; A196-A199 PolarHBondContact O-N 2.93Å; A196-S200 WeakPolarHBondContact O-CB 3.17Å; A196-S200 PolarHBondContact O-N 3.25Å; A196-S200 PolarHBondContact O-OG 2.61Å |
| 197 | A | 56.5 | Low | 64.6 | Low | 8 Ų | 8 | 60 Ų | 60 | 7% | 0.066 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -61.4 | -48.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | D193 A199 S200 C201 | D193-A197 PolarHBondContact O-N 2.99Å; A197-A199 PolarHBondContact O-N 2.92Å; A197-S200 PolarHBondContact O-N 3.48Å; A197-S200 PolarHBondContact O-OG 3.22Å; A197-C201 PolarHBondContact O-N 2.88Å |
| 198 | A | 56.3 | Low | 65.6 | Low | 21 Ų | 21 | 59.7 Ų | 59.7 | 17% | 0.174 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -65.9 | -33.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | P194 S200 C201 T222 M254 | P194-A198 VanDerWaalsContact O-CB 3.3Å; P194-A198 WeakPolarHBondContact O-CB 3.49Å; P194-A198 PolarHBondContact O-N 3.27Å; A198-S200 VanDerWaalsContact C-N 3.35Å; A198-C201 CarbonylContact O-C 3.58Å; A198-T222 HydrophobicContact CB-CG2 4.25Å; A198-M254 HydrophobicContact CB-CE 3.96Å; A198-M254 HydrophobicContact CB-SD 3.65Å |
| 199 | A | 59.7 | Low | 67 | Low | 83 Ų | 83 | 56.4 Ų | 56.4 | 69% | 0.686 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -69.9 | -32.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V195 A196 A197 | V195-A199 WeakPolarHBondContact O-CB 3.48Å; V195-A199 PolarHBondContact O-N 3.49Å; A196-A199 PolarHBondContact O-N 2.93Å; A197-A199 PolarHBondContact O-N 2.92Å |
| 200 | S | 57.3 | Low | 68.1 | Low | 102 Ų | 102 | 57.3 Ų | 57.3 | 71% | 0.713 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -77.4 | -30.1 | 179.8 | 73.9 | 0 | 0 | 0 | 0 | 113.4 | A196 A197 A198 | A196-S200 WeakPolarHBondContact O-CB 3.17Å; A196-S200 PolarHBondContact O-N 3.25Å; A196-S200 PolarHBondContact O-OG 2.61Å; A197-S200 PolarHBondContact O-N 3.48Å; A197-S200 PolarHBondContact O-OG 3.22Å; A198-S200 VanDerWaalsContact C-N 3.35Å |
| 201 | C | 49.7 | Very low | 69 | Low | 50 Ų | 50 | 55 Ų | 55 | 34% | 0.338 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -112.5 | 93.6 | -177.7 | -162.1 | 0 | 0 | 0 | 0 | 106.9 | A197 A198 A203 | A197-C201 PolarHBondContact O-N 2.88Å; A198-C201 CarbonylContact O-C 3.58Å; C201-A203 PolarHBondContact O-N 3.39Å |
| 202 | G | 55.4 | Low | 69.9 | Low | 91 Ų | 91 | 56.4 Ų | 56.4 | 94% | 0.938 | 36% | 0.363 | S | S | * | . | trans | -63.8 | 26.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 203 | A | 63.6 | Low | 70.7 | Confident | 56 Ų | 56 | 53.4 Ų | 53.4 | 46% | 0.463 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -96.9 | 140.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | C201 E205 | C201-A203 PolarHBondContact O-N 3.39Å; A203-E205 PolarHBondContact O-N 3.1Å; A203-E205 VanDerWaalsContact O-N 3.09Å |
| 204 | D | 77.1 | Confident | 71.4 | Confident | 99 Ų | 99 | 53 Ų | 53 | 53% | 0.529 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -61.8 | -16.3 | 177.8 | -165.6 | 43.7 | 0 | 0 | 0 | 113 | S223 A224 | D204-S223 VanDerWaalsContact O-CA 3.24Å; D204-S223 WeakPolarHBondContact O-CA 3.21Å; D204-A224 PolarHBondContact O-N 3.44Å; D204-A224 WeakPolarHBondContact OD1-CB 3.34Å |
| 205 | E | 84.4 | Confident | 72.7 | Confident | 25 Ų | 25 | 55.6 Ų | 55.6 | 12% | 0.117 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 127 | 179 | -45.1 | -157.6 | 112.9 | 0 | 0 | 111.2 | A203 T222 S223 R231 | A203-E205 PolarHBondContact O-N 3.1Å; A203-E205 VanDerWaalsContact O-N 3.09Å; E205-T222 CarbonylContact C-O 3.56Å; E205-T222 WeakPolarHBondContact CA-O 3.39Å; E205-S223 WeakPolarHBondContact CG-OG 3.19Å; E205-S223 PolarHBondContact OE1-OG 3.41Å; E205-R231 VanDerWaalsContact CD-NH1 3.25Å; E205-R231 IonicContact OE1-CZ 3.66Å; E205-R231 VanDerWaalsContact OE1-CZ 3.3Å; E205-R231 IonicContact OE1-NH1 3.69Å; E205-R231 PolarHBondContact OE1-NH1 2.97Å; E205-R231 IonicContact OE1-NH2 3.29Å; E205-R231 IonicContact OE2-CZ 2.72Å; E205-R231 IonicContact OE2-NH1 2.79Å; E205-R231 PolarHBondContact OE2-NH1 3Å; E205-R231 IonicContact OE2-NH2 3.62Å; E205-R231 PolarHBondContact OE2-NH2 3.48Å |
| 206 | A | 87.7 | Confident | 74.1 | Confident | 10 Ų | 10 | 54.2 Ų | 54.2 | 8% | 0.083 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 123.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | A221 T222 | A206-A221 CarbonylContact O-C 3.57Å; A206-A221 WeakPolarHBondContact O-CA 3.46Å; A206-T222 PolarHBondContact N-O 2.96Å; A206-T222 PolarHBondContact O-N 2.93Å |
| 207 | V | 89.6 | Confident | 75.3 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.006 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 132.7 | 174.8 | 177.2 | 0 | 0 | 0 | 0 | 108.3 | V209 V219 R220 A221 R278 L281 L282 M285 | V207-V209 HydrophobicContact CG1-CG2 4.12Å; V207-V219 HydrophobicContact CG1-CG1 3.82Å; V207-R220 CarbonylContact C-O 3.59Å; V207-R220 WeakPolarHBondContact CA-O 3.39Å; V207-A221 HydrophobicContact CG2-CB 3.99Å; V207-R278 WeakPolarHBondContact O-CD 3.4Å; V207-R278 WeakPolarHBondContact O-CG 3.42Å; V207-R278 PolarHBondContact O-NE 2.9Å; V207-R278 PolarHBondContact O-NH2 2.81Å; V207-R278 VanDerWaalsContact O-NH2 3.12Å; V207-L281 HydrophobicContact CG1-CB 4.34Å; V207-L281 HydrophobicContact CG1-CD1 4.3Å; V207-L282 HydrophobicContact CB-CD2 3.81Å; V207-L282 HydrophobicContact CB-CG 3.93Å; V207-L282 HydrophobicContact CG2-CD2 3.44Å; V207-L282 VanDerWaalsContact CG2-CD2 3.44Å; V207-L282 HydrophobicContact CG2-CG 3.96Å; V207-M285 HydrophobicContact CG2-SD 3.77Å |
| 208 | E | 89.5 | Confident | 77 | Confident | 47 Ų | 47 | 51.9 Ų | 51.9 | 22% | 0.22 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 133.2 | 174.4 | -63.2 | 179.9 | 177.2 | 0 | 0 | 108.9 | W191 V219 R220 | W191-E208 HydrophobicContact CE3-CB 4.24Å; W191-E208 VanDerWaalsContact CE3-OE2 3.29Å; W191-E208 HydrophobicContact CH2-CB 4.48Å; W191-E208 HydrophobicContact CZ3-CB 3.54Å; E208-V219 CarbonylContact O-C 3.57Å; E208-V219 WeakPolarHBondContact O-CA 3.5Å; E208-R220 PolarHBondContact N-O 3.05Å; E208-R220 PolarHBondContact O-N 3.33Å |
| 209 | V | 88.5 | Confident | 78.6 | Confident | 15 Ų | 15 | 50.9 Ų | 50.9 | 9% | 0.091 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 127.9 | -176.8 | -179.8 | 0 | 0 | 0 | 0 | 109.5 | V207 A217 A218 V219 H274 L277 R278 L281 | V207-V209 HydrophobicContact CG1-CG2 4.12Å; V209-A217 HydrophobicContact CG1-CB 4.39Å; V209-A218 WeakPolarHBondContact CA-O 3.44Å; V209-V219 HydrophobicContact CG1-CG2 4.44Å; V209-V219 HydrophobicContact CG2-CG1 4.33Å; V209-V219 HydrophobicContact CG2-CG2 4.2Å; V209-H274 PolarHBondContact O-ND1 3.19Å; V209-L277 HydrophobicContact CG1-CB 4.43Å; V209-L277 HydrophobicContact CG1-CD2 3.75Å; V209-L277 HydrophobicContact CG1-CG 4.09Å; V209-L277 HydrophobicContact CG2-CG 4.49Å; V209-R278 HydrophobicContact CB-CB 4.36Å; V209-R278 HydrophobicContact CG2-CB 3.86Å; V209-R278 HydrophobicContact CG2-CG 4.43Å; V209-L281 HydrophobicContact CG2-CD1 3.95Å |
| 210 | R | 84.8 | Confident | 80.1 | Confident | 94 Ų | 94 | 48.4 Ų | 48.4 | 36% | 0.355 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 117.9 | 179.7 | -62.2 | -176.3 | 70 | -118.3 | -5.2 | 109.9 | R190 W191 L212 A218 | R190-R210 WeakPolarHBondContact O-CD 3.33Å; R190-R210 PolarHBondContact O-NH1 3.32Å; W191-R210 HydrophobicContact CH2-CB 4.36Å; W191-R210 HydrophobicContact CH2-CG 4.01Å; W191-R210 HydrophobicContact CZ3-CG 3.95Å; R210-L212 PolarHBondContact O-N 3.5Å; R210-A218 PolarHBondContact N-O 2.91Å; R210-A218 PolarHBondContact O-N 3.24Å |
| 211 | M | 82.8 | Confident | 81.7 | Confident | 52 Ų | 52 | 43.8 Ų | 43.8 | 26% | 0.256 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 127.2 | 170.8 | -58.8 | -53.8 | -73.9 | 0 | 0 | 110 | A217 V263 H274 | M211-A217 HydrophobicContact CE-CB 4.39Å; M211-A217 HydrophobicContact SD-CB 3.61Å; M211-V263 HydrophobicContact CE-CB 4.44Å; M211-V263 HydrophobicContact CE-CG2 4.3Å; M211-H274 VanDerWaalsContact CB-CE1 3.45Å; M211-H274 WeakPolarHBondContact CB-CE1 3.49Å; M211-H274 WeakPolarHBondContact CG-CE1 3.38Å; M211-H274 PolarHBondContact N-CE1 3.05Å; M211-H274 PolarHBondContact N-ND1 3.41Å |
| 212 | L | 81.5 | Confident | 83.7 | Confident | 74 Ų | 74 | 41.9 Ų | 41.9 | 39% | 0.387 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -97.1 | -9.1 | 174.8 | -66.9 | 177.7 | 0 | 0 | 0 | 112.3 | R210 V216 A218 V260 | R210-L212 PolarHBondContact O-N 3.5Å; L212-V216 HydrophobicContact CB-CB 4.38Å; L212-V216 HydrophobicContact CB-CG1 4.23Å; L212-V216 HydrophobicContact CD1-CG1 4.2Å; L212-V216 PolarHBondContact N-O 3.34Å; L212-A218 HydrophobicContact CD1-CB 3.83Å; L212-A218 HydrophobicContact CD2-CB 4.4Å; L212-A218 HydrophobicContact CG-CB 3.98Å; L212-V260 HydrophobicContact CD1-CG1 4.34Å |
| 213 | G | 79.4 | Confident | 85.3 | Confident | 30 Ų | 30 | 37.7 Ų | 37.7 | 31% | 0.309 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -179.2 | -173.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | D215 V216 | G213-D215 VanDerWaalsContact C-N 3.26Å; G213-D215 PolarHBondContact O-N 2.98Å; G213-V216 PolarHBondContact N-O 3.41Å |
| 214 | P | 78.7 | Confident | 86.5 | Confident | 114 Ų | 114 | 37.4 Ų | 37.4 | 74% | 0.74 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -62.6 | -35.3 | 177.9 | 25.4 | -33.2 | 0 | 0 | 0 | 112.4 | ||
| 215 | D | 84.8 | Confident | 87 | Confident | 79 Ų | 79 | 33.2 Ų | 33.2 | 42% | 0.422 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -117.8 | 8.2 | -171.9 | -50.9 | -49.2 | 0 | 0 | 0 | 112.7 | G213 D262 V263 | G213-D215 VanDerWaalsContact C-N 3.26Å; G213-D215 PolarHBondContact O-N 2.98Å; D215-D262 CarbonylContact O-C 3.56Å; D215-D262 WeakPolarHBondContact O-CA 3.37Å; D215-V263 PolarHBondContact O-N 3.46Å |
| 216 | V | 87.5 | Confident | 87.1 | Confident | 38 Ų | 38 | 37 Ų | 37 | 23% | 0.23 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 129.1 | -176.3 | -175.4 | 0 | 0 | 0 | 0 | 110.5 | L212 G213 V260 V261 | L212-V216 HydrophobicContact CB-CB 4.38Å; L212-V216 HydrophobicContact CB-CG1 4.23Å; L212-V216 HydrophobicContact CD1-CG1 4.2Å; L212-V216 PolarHBondContact N-O 3.34Å; G213-V216 PolarHBondContact N-O 3.41Å; V216-V260 HydrophobicContact CG1-CG1 3.63Å; V216-V261 WeakPolarHBondContact CA-O 3.32Å |
| 217 | A | 87.7 | Confident | 87.2 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 141.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | V209 M211 V260 V261 V263 L277 | V209-A217 HydrophobicContact CG1-CB 4.39Å; M211-A217 HydrophobicContact CE-CB 4.39Å; M211-A217 HydrophobicContact SD-CB 3.61Å; A217-V260 WeakPolarHBondContact O-CA 3.42Å; A217-V261 HydrophobicContact CB-CG2 3.94Å; A217-V261 PolarHBondContact N-O 2.99Å; A217-V261 PolarHBondContact O-N 3.11Å; A217-V263 HydrophobicContact CB-CG2 3.66Å; A217-L277 HydrophobicContact CB-CD2 4.25Å |
| 218 | A | 90.3 | Very high | 87.3 | Confident | 9 Ų | 9 | 43.8 Ų | 43.8 | 7% | 0.074 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 129.3 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | W191 V209 R210 L212 V259 | W191-A218 HydrophobicContact CH2-CB 4.37Å; W191-A218 HydrophobicContact CZ2-CB 3.76Å; V209-A218 WeakPolarHBondContact CA-O 3.44Å; R210-A218 PolarHBondContact N-O 2.91Å; R210-A218 PolarHBondContact O-N 3.24Å; L212-A218 HydrophobicContact CD1-CB 3.83Å; L212-A218 HydrophobicContact CD2-CB 4.4Å; L212-A218 HydrophobicContact CG-CB 3.98Å; A218-V259 CarbonylContact C-O 3.53Å; A218-V259 WeakPolarHBondContact CA-O 3.39Å |
| 219 | V | 90.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 126.4 | -180 | -177.6 | 0 | 0 | 0 | 0 | 108.4 | V207 E208 V209 L232 D258 V259 V261 L281 | V207-V219 HydrophobicContact CG1-CG1 3.82Å; E208-V219 CarbonylContact O-C 3.57Å; E208-V219 WeakPolarHBondContact O-CA 3.5Å; V209-V219 HydrophobicContact CG1-CG2 4.44Å; V209-V219 HydrophobicContact CG2-CG1 4.33Å; V209-V219 HydrophobicContact CG2-CG2 4.2Å; V219-L232 HydrophobicContact CG1-CD1 4.44Å; V219-D258 CarbonylContact O-C 3.56Å; V219-D258 WeakPolarHBondContact O-CA 3.27Å; V219-V259 PolarHBondContact N-O 3.27Å; V219-V259 PolarHBondContact O-N 2.95Å; V219-V261 HydrophobicContact CG2-CG2 4.3Å; V219-L281 HydrophobicContact CG1-CD1 3.88Å; V219-L281 HydrophobicContact CG2-CD1 4.01Å |
| 220 | R | 91 | Very high | 87.6 | Confident | 31 Ų | 31 | 45.1 Ų | 45.1 | 12% | 0.117 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 117.4 | 170.1 | 173.2 | 169.6 | -76.2 | -158.1 | -4.4 | 108.6 | W191 V207 E208 V256 Q257 D258 | W191-R220 VanDerWaalsContact CD1-NH2 3.31Å; W191-R220 HydrophobicContact CD2-CB 3.95Å; W191-R220 HydrophobicContact CE3-CB 3.63Å; W191-R220 HydrophobicContact CE3-CG 4.28Å; W191-R220 HydrophobicContact CH2-CB 3.51Å; W191-R220 HydrophobicContact CZ2-CB 3.82Å; W191-R220 HydrophobicContact CZ3-CB 3.43Å; W191-R220 VanDerWaalsContact CZ3-CB 3.43Å; W191-R220 HydrophobicContact CZ3-CG 4.49Å; V207-R220 CarbonylContact C-O 3.59Å; V207-R220 WeakPolarHBondContact CA-O 3.39Å; E208-R220 PolarHBondContact N-O 3.05Å; E208-R220 PolarHBondContact O-N 3.33Å; R220-V256 HydrophobicContact CG-CG1 4.24Å; R220-Q257 CarbonylContact C-O 3.57Å; R220-Q257 WeakPolarHBondContact CA-O 3.36Å; R220-D258 WeakPolarHBondContact CB-OD1 3.45Å; R220-D258 VanDerWaalsContact CG-OD1 3.27Å; R220-D258 WeakPolarHBondContact CG-OD1 3.47Å; R220-D258 IonicContact CZ-OD1 3.14Å; R220-D258 IonicContact CZ-OD2 3.84Å; R220-D258 IonicContact NE-OD1 2.99Å; R220-D258 PolarHBondContact NE-OD1 3.1Å; R220-D258 IonicContact NE-OD2 2.66Å; R220-D258 IonicContact NH2-OD1 2.61Å; R220-D258 PolarHBondContact NH2-OD1 2.79Å; R220-D258 IonicContact NH2-OD2 2.87Å; R220-D258 PolarHBondContact NH2-OD2 2.84Å |
| 221 | A | 91.7 | Very high | 88 | Confident | 5 Ų | 5 | 41.9 Ų | 41.9 | 4% | 0.041 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 124.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | A206 V207 L232 V256 Q257 | A206-A221 CarbonylContact O-C 3.57Å; A206-A221 WeakPolarHBondContact O-CA 3.46Å; V207-A221 HydrophobicContact CG2-CB 3.99Å; A221-L232 HydrophobicContact CB-CD1 4.07Å; A221-L232 HydrophobicContact CB-CD2 3.74Å; A221-L232 HydrophobicContact CB-CG 4.39Å; A221-V256 CarbonylContact O-C 3.53Å; A221-V256 WeakPolarHBondContact O-CA 3.48Å; A221-Q257 PolarHBondContact N-O 3.28Å; A221-Q257 PolarHBondContact O-N 3.06Å |
| 222 | T | 91.3 | Very high | 88.5 | Confident | 9 Ų | 9 | 39.4 Ų | 39.4 | 6% | 0.055 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 118.6 | 172 | -52 | 0 | 0 | 0 | 0 | 108 | A198 E205 A206 M254 T255 V256 | A198-T222 HydrophobicContact CB-CG2 4.25Å; E205-T222 CarbonylContact C-O 3.56Å; E205-T222 WeakPolarHBondContact CA-O 3.39Å; A206-T222 PolarHBondContact N-O 2.96Å; A206-T222 PolarHBondContact O-N 2.93Å; T222-M254 HydrophobicContact CG2-CB 4.44Å; T222-M254 HydrophobicContact CG2-SD 4.33Å; T222-T255 CarbonylContact C-O 3.46Å; T222-T255 VanDerWaalsContact CA-O 3.29Å; T222-T255 WeakPolarHBondContact CA-O 3.44Å; T222-V256 HydrophobicContact CG2-CG2 4.07Å |
| 223 | S | 90.2 | Very high | 89.1 | Confident | 3 Ų | 3 | 38.9 Ų | 38.9 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 139.4 | -179.4 | 168.6 | 0 | 0 | 0 | 0 | 111.7 | D204 E205 A225 A228 T255 | D204-S223 VanDerWaalsContact O-CA 3.24Å; D204-S223 WeakPolarHBondContact O-CA 3.21Å; E205-S223 WeakPolarHBondContact CG-OG 3.19Å; E205-S223 PolarHBondContact OE1-OG 3.41Å; S223-A225 WeakPolarHBondContact OG-CB 3.48Å; S223-A225 PolarHBondContact OG-N 3.29Å; S223-A225 VanDerWaalsContact OG-N 3.11Å; S223-A228 WeakPolarHBondContact OG-CB 3.36Å; S223-T255 PolarHBondContact N-O 2.97Å; S223-T255 PolarHBondContact O-N 3.28Å; S223-T255 PolarHBondContact O-OG1 2.76Å |
| 224 | A | 89.1 | Confident | 89.8 | Confident | 50 Ų | 50 | 40.2 Ų | 40.2 | 41% | 0.413 | 24% | 0.243 | S | C | . | . | trans | -91.4 | -5.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113 | D204 M254 | D204-A224 PolarHBondContact O-N 3.44Å; D204-A224 WeakPolarHBondContact OD1-CB 3.34Å; A224-M254 HydrophobicContact CB-CG 4.01Å | ||
| 225 | A | 86.9 | Confident | 90.5 | Very high | 12 Ų | 12 | 34.9 Ų | 34.9 | 10% | 0.099 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -66.4 | 148.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S223 A228 | S223-A225 WeakPolarHBondContact OG-CB 3.48Å; S223-A225 PolarHBondContact OG-N 3.29Å; S223-A225 VanDerWaalsContact OG-N 3.11Å; A225-A228 WeakPolarHBondContact O-CB 3.3Å; A225-A228 PolarHBondContact O-N 3.08Å |
| 226 | P | 86.4 | Confident | 90.9 | Very high | 103 Ų | 103 | 31.1 Ų | 31.1 | 67% | 0.669 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | 144.7 | 172.4 | 28.5 | -34.7 | 0 | 0 | 0 | 110.4 | A228 | P226-A228 PolarHBondContact O-N 3.05Å; P226-A228 VanDerWaalsContact O-N 3.09Å |
| 227 | H | 89.6 | Confident | 91.2 | Very high | 150 Ų | 150 | 38.5 Ų | 38.5 | 69% | 0.694 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 21.4 | 179.2 | -49.4 | -67.1 | 0 | 0 | 0 | 115.1 | P229 A230 R231 | H227-P229 VanDerWaalsContact C-CD 3.5Å; H227-P229 VanDerWaalsContact C-N 3.29Å; H227-A230 HydrophobicContact CB-CB 4.4Å; H227-A230 WeakPolarHBondContact O-CA 3.48Å; H227-A230 WeakPolarHBondContact O-CB 3.46Å; H227-A230 PolarHBondContact O-N 3.48Å; H227-R231 PolarHBondContact O-N 2.88Å |
| 228 | A | 90.7 | Very high | 91.4 | Very high | 4 Ų | 4 | 42.2 Ų | 42.2 | 3% | 0.033 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -48 | -42.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114 | S223 A225 P226 A230 R231 L232 T255 | S223-A228 WeakPolarHBondContact OG-CB 3.36Å; A225-A228 WeakPolarHBondContact O-CB 3.3Å; A225-A228 PolarHBondContact O-N 3.08Å; P226-A228 PolarHBondContact O-N 3.05Å; P226-A228 VanDerWaalsContact O-N 3.09Å; A228-A230 VanDerWaalsContact C-N 3.32Å; A228-A230 PolarHBondContact O-N 2.68Å; A228-R231 PolarHBondContact O-N 2.94Å; A228-L232 PolarHBondContact O-N 3.19Å; A228-T255 VanDerWaalsContact CB-OG1 3.31Å; A228-T255 WeakPolarHBondContact CB-OG1 3.41Å |
| 229 | P | 92.2 | Very high | 91.4 | Very high | 34 Ų | 34 | 44.3 Ų | 44.3 | 22% | 0.221 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.9 | -36.3 | 176.8 | -24.9 | 34.6 | 0 | 0 | 0 | 114.6 | H227 M233 V248 Q257 | H227-P229 VanDerWaalsContact C-CD 3.5Å; H227-P229 VanDerWaalsContact C-N 3.29Å; P229-M233 WeakPolarHBondContact O-CG 3.44Å; P229-M233 PolarHBondContact O-N 2.8Å; P229-M233 VanDerWaalsContact O-N 3.12Å; P229-V248 HydrophobicContact CB-CG1 4.29Å; P229-V248 HydrophobicContact CB-CG2 3.96Å; P229-V248 HydrophobicContact CG-CG1 3.69Å; P229-V248 HydrophobicContact CG-CG2 4.27Å; P229-Q257 PolarHBondContact O-OE1 3.26Å |
| 230 | A | 93.4 | Very high | 91.4 | Very high | 56 Ų | 56 | 52.4 Ų | 52.4 | 46% | 0.463 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -71 | -37.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | H227 A228 M233 S234 | H227-A230 HydrophobicContact CB-CB 4.4Å; H227-A230 WeakPolarHBondContact O-CA 3.48Å; H227-A230 WeakPolarHBondContact O-CB 3.46Å; H227-A230 PolarHBondContact O-N 3.48Å; A228-A230 VanDerWaalsContact C-N 3.32Å; A228-A230 PolarHBondContact O-N 2.68Å; A230-M233 PolarHBondContact O-N 2.96Å; A230-S234 WeakPolarHBondContact O-CB 3.34Å; A230-S234 PolarHBondContact O-N 3.06Å; A230-S234 PolarHBondContact O-OG 3.01Å; A230-S234 VanDerWaalsContact O-OG 3.05Å |
| 231 | R | 93.2 | Very high | 91.4 | Very high | 26 Ų | 26 | 52.1 Ų | 52.1 | 10% | 0.098 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62 | -45.7 | 176.4 | -68.9 | 177.6 | 60.9 | -158.9 | -1.3 | 111.7 | E205 H227 A228 S234 A235 M285 S288 | E205-R231 VanDerWaalsContact CD-NH1 3.25Å; E205-R231 IonicContact OE1-CZ 3.66Å; E205-R231 VanDerWaalsContact OE1-CZ 3.3Å; E205-R231 IonicContact OE1-NH1 3.69Å; E205-R231 PolarHBondContact OE1-NH1 2.97Å; E205-R231 IonicContact OE1-NH2 3.29Å; E205-R231 IonicContact OE2-CZ 2.72Å; E205-R231 IonicContact OE2-NH1 2.79Å; E205-R231 PolarHBondContact OE2-NH1 3Å; E205-R231 IonicContact OE2-NH2 3.62Å; E205-R231 PolarHBondContact OE2-NH2 3.48Å; H227-R231 PolarHBondContact O-N 2.88Å; A228-R231 PolarHBondContact O-N 2.94Å; R231-S234 PolarHBondContact O-N 3.37Å; R231-A235 WeakPolarHBondContact O-CB 3.43Å; R231-A235 PolarHBondContact O-N 3.23Å; R231-M285 VanDerWaalsContact CZ-O 3.27Å; R231-M285 PolarHBondContact NE-O 3.26Å; R231-M285 VanDerWaalsContact NE-O 3.07Å; R231-M285 PolarHBondContact NH2-O 3.01Å; R231-S288 WeakPolarHBondContact CG-OG 3.37Å; R231-S288 PolarHBondContact NE-OG 2.91Å |
| 232 | L | 93.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.8 | -45.9 | 175.1 | -174.7 | 70.1 | 0 | 0 | 0 | 111.2 | V219 A221 A228 S234 A235 L236 Q257 V259 M285 | V219-L232 HydrophobicContact CG1-CD1 4.44Å; A221-L232 HydrophobicContact CB-CD1 4.07Å; A221-L232 HydrophobicContact CB-CD2 3.74Å; A221-L232 HydrophobicContact CB-CG 4.39Å; A228-L232 PolarHBondContact O-N 3.19Å; L232-S234 VanDerWaalsContact C-N 3.27Å; L232-S234 PolarHBondContact O-N 3.49Å; L232-A235 WeakPolarHBondContact O-CB 3.33Å; L232-A235 PolarHBondContact O-N 3.39Å; L232-A235 VanDerWaalsContact O-N 3.14Å; L232-L236 HydrophobicContact CG-CD1 4.19Å; L232-L236 HydrophobicContact CG-CG 4.4Å; L232-L236 VanDerWaalsContact O-CG 3.31Å; L232-L236 WeakPolarHBondContact O-CG 3.38Å; L232-L236 PolarHBondContact O-N 3.43Å; L232-Q257 VanDerWaalsContact CB-OE1 3.3Å; L232-Q257 HydrophobicContact CD2-CB 4.12Å; L232-Q257 HydrophobicContact CD2-CG 3.76Å; L232-V259 HydrophobicContact CD2-CG2 3.72Å; L232-M285 HydrophobicContact CB-SD 4.24Å; L232-M285 HydrophobicContact CD1-CG 4.45Å; L232-M285 HydrophobicContact CD1-SD 3.58Å; L232-M285 VanDerWaalsContact CD1-SD 3.58Å |
| 233 | M | 94.3 | Very high | 91.5 | Very high | 63 Ų | 63 | 60.8 Ų | 60.8 | 31% | 0.31 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.8 | -34.2 | 178.8 | -68.6 | -59.2 | -64.8 | 0 | 0 | 112.8 | P229 A230 L236 R237 V243 | P229-M233 WeakPolarHBondContact O-CG 3.44Å; P229-M233 PolarHBondContact O-N 2.8Å; P229-M233 VanDerWaalsContact O-N 3.12Å; A230-M233 PolarHBondContact O-N 2.96Å; M233-L236 HydrophobicContact SD-CD1 4.21Å; M233-R237 WeakPolarHBondContact O-CB 3.3Å; M233-R237 PolarHBondContact O-N 3.36Å; M233-R237 VanDerWaalsContact O-N 3.1Å; M233-V243 HydrophobicContact CE-CG2 4.06Å; M233-V243 HydrophobicContact SD-CG2 4.49Å |
| 234 | S | 93.5 | Very high | 91.6 | Very high | 58 Ų | 58 | 66.2 Ų | 66.2 | 41% | 0.406 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67.9 | -44.2 | 172.2 | -66.5 | 0 | 0 | 0 | 0 | 111.6 | A230 R231 L232 L236 R237 S238 | A230-S234 WeakPolarHBondContact O-CB 3.34Å; A230-S234 PolarHBondContact O-N 3.06Å; A230-S234 PolarHBondContact O-OG 3.01Å; A230-S234 VanDerWaalsContact O-OG 3.05Å; R231-S234 PolarHBondContact O-N 3.37Å; L232-S234 VanDerWaalsContact C-N 3.27Å; L232-S234 PolarHBondContact O-N 3.49Å; S234-L236 PolarHBondContact O-N 3.17Å; S234-R237 WeakPolarHBondContact O-CB 3.32Å; S234-R237 PolarHBondContact O-N 3.12Å; S234-S238 PolarHBondContact O-N 3.11Å; S234-S238 PolarHBondContact O-OG 3.22Å; S234-S238 VanDerWaalsContact O-OG 3.13Å |
| 235 | A | 93.8 | Very high | 91.7 | Very high | 2 Ų | 2 | 68.6 Ų | 68.6 | 2% | 0.017 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59.9 | -44.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | R231 L232 R237 S238 L239 L281 R284 M285 | R231-A235 WeakPolarHBondContact O-CB 3.43Å; R231-A235 PolarHBondContact O-N 3.23Å; L232-A235 WeakPolarHBondContact O-CB 3.33Å; L232-A235 PolarHBondContact O-N 3.39Å; L232-A235 VanDerWaalsContact O-N 3.14Å; A235-R237 VanDerWaalsContact C-N 3.34Å; A235-R237 PolarHBondContact O-N 3.13Å; A235-S238 PolarHBondContact O-N 3.26Å; A235-L239 WeakPolarHBondContact O-CG 3.34Å; A235-L239 PolarHBondContact O-N 2.88Å; A235-L239 VanDerWaalsContact O-N 3.11Å; A235-L281 HydrophobicContact CB-CD2 4.35Å; A235-R284 HydrophobicContact CB-CB 3.58Å; A235-M285 HydrophobicContact CB-CG 3.96Å |
| 236 | L | 93.3 | Very high | 92 | Very high | 1 Ų | 1 | 70.2 Ų | 70.2 | 1% | 0.005 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61 | -42.8 | 175.5 | -68.8 | 174.7 | 0 | 0 | 0 | 111.9 | L232 M233 S234 L239 E240 L241 V243 V259 V261 L281 | L232-L236 HydrophobicContact CG-CD1 4.19Å; L232-L236 HydrophobicContact CG-CG 4.4Å; L232-L236 VanDerWaalsContact O-CG 3.31Å; L232-L236 WeakPolarHBondContact O-CG 3.38Å; L232-L236 PolarHBondContact O-N 3.43Å; M233-L236 HydrophobicContact SD-CD1 4.21Å; S234-L236 PolarHBondContact O-N 3.17Å; L236-L239 PolarHBondContact O-N 3.12Å; L236-E240 PolarHBondContact O-N 3.24Å; L236-L241 HydrophobicContact CD2-CB 4.3Å; L236-L241 HydrophobicContact CD2-CD1 3.82Å; L236-L241 PolarHBondContact O-N 3.42Å; L236-V243 HydrophobicContact CB-CG2 4.49Å; L236-V243 HydrophobicContact CD1-CG2 3.86Å; L236-V259 HydrophobicContact CD1-CB 4.3Å; L236-V259 HydrophobicContact CD1-CG1 3.8Å; L236-V259 HydrophobicContact CD1-CG2 4.24Å; L236-V261 HydrophobicContact CD1-CG1 4.21Å; L236-V261 HydrophobicContact CD2-CG1 3.95Å; L236-L281 HydrophobicContact CD2-CD2 3.63Å; L236-L281 HydrophobicContact CG-CD2 4.32Å |
| 237 | R | 93.2 | Very high | 92.3 | Very high | 192 Ų | 192 | 67.5 Ų | 67.5 | 73% | 0.725 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -63.6 | -40.7 | 175.3 | -173.5 | -173 | -55.8 | -77.9 | -3 | 112.1 | M233 S234 A235 L239 E240 | M233-R237 WeakPolarHBondContact O-CB 3.3Å; M233-R237 PolarHBondContact O-N 3.36Å; M233-R237 VanDerWaalsContact O-N 3.1Å; S234-R237 WeakPolarHBondContact O-CB 3.32Å; S234-R237 PolarHBondContact O-N 3.12Å; A235-R237 VanDerWaalsContact C-N 3.34Å; A235-R237 PolarHBondContact O-N 3.13Å; R237-L239 PolarHBondContact O-N 3.33Å; R237-E240 PolarHBondContact O-N 3.45Å; R237-E240 VanDerWaalsContact O-N 3.15Å |
| 238 | S | 92.3 | Very high | 92.5 | Very high | 79 Ų | 79 | 63.9 Ų | 63.9 | 55% | 0.552 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -67.7 | -23.6 | 178.2 | -66.2 | 0 | 0 | 0 | 0 | 113.7 | S234 A235 | S234-S238 PolarHBondContact O-N 3.11Å; S234-S238 PolarHBondContact O-OG 3.22Å; S234-S238 VanDerWaalsContact O-OG 3.13Å; A235-S238 PolarHBondContact O-N 3.26Å |
| 239 | L | 90.7 | Very high | 92.5 | Very high | 52 Ų | 52 | 67 Ų | 67 | 27% | 0.272 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | 6.1 | 174.5 | -64.1 | 176.4 | 0 | 0 | 0 | 112.7 | A235 L236 R237 L241 L277 A280 L281 R284 | A235-L239 WeakPolarHBondContact O-CG 3.34Å; A235-L239 PolarHBondContact O-N 2.88Å; A235-L239 VanDerWaalsContact O-N 3.11Å; L236-L239 PolarHBondContact O-N 3.12Å; R237-L239 PolarHBondContact O-N 3.33Å; L239-L241 HydrophobicContact CB-CD1 3.98Å; L239-L241 HydrophobicContact CB-CG 3.92Å; L239-L241 HydrophobicContact CD1-CD1 4.22Å; L239-L241 PolarHBondContact O-N 3.24Å; L239-L277 HydrophobicContact CD1-CD1 4.27Å; L239-A280 HydrophobicContact CD1-CB 4.09Å; L239-A280 HydrophobicContact CD2-CB 4.36Å; L239-L281 HydrophobicContact CD1-CD2 3.63Å; L239-L281 HydrophobicContact CD1-CG 4.04Å; L239-R284 HydrophobicContact CD2-CG 4.4Å; L239-R284 HydrophobicContact CG-CG 4.44Å |
| 240 | E | 90.6 | Very high | 92.5 | Very high | 171 Ų | 171 | 74.6 Ų | 74.6 | 80% | 0.799 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 28.6 | -178.9 | -57.7 | -177.4 | 175.5 | 0 | 0 | 113.7 | L236 R237 | L236-E240 PolarHBondContact O-N 3.24Å; R237-E240 PolarHBondContact O-N 3.45Å; R237-E240 VanDerWaalsContact O-N 3.15Å |
| 241 | L | 90.7 | Very high | 92.1 | Very high | 25 Ų | 25 | 74.4 Ų | 74.4 | 13% | 0.131 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -83.3 | 125.1 | 178.4 | -62.2 | 173.6 | 0 | 0 | 0 | 110.5 | L236 L239 V243 V261 V263 L277 | L236-L241 HydrophobicContact CD2-CB 4.3Å; L236-L241 HydrophobicContact CD2-CD1 3.82Å; L236-L241 PolarHBondContact O-N 3.42Å; L239-L241 HydrophobicContact CB-CD1 3.98Å; L239-L241 HydrophobicContact CB-CG 3.92Å; L239-L241 HydrophobicContact CD1-CD1 4.22Å; L239-L241 PolarHBondContact O-N 3.24Å; L241-V243 PolarHBondContact O-N 2.88Å; L241-V261 HydrophobicContact CB-CB 4.27Å; L241-V261 HydrophobicContact CD1-CG2 4.46Å; L241-V263 HydrophobicContact CD2-CG2 4.41Å; L241-L277 HydrophobicContact CD1-CD1 3.75Å |
| 242 | H | 92.2 | Very high | 91.7 | Very high | 140 Ų | 140 | 79.4 Ų | 79.4 | 65% | 0.648 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 118 | -179.7 | -78.2 | -86.3 | 0 | 0 | 0 | 111.1 | V261 D262 | H242-V261 CarbonylContact O-C 3.53Å; H242-V261 VanDerWaalsContact O-CA 3.23Å; H242-V261 WeakPolarHBondContact O-CA 3.33Å; H242-D262 HydrophobicContact CB-CB 4.09Å; H242-D262 PolarHBondContact O-N 3.05Å |
| 243 | V | 92.3 | Very high | 91.3 | Very high | 55 Ų | 55 | 81.5 Ų | 81.5 | 33% | 0.333 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 119.2 | 178.7 | 178.7 | 0 | 0 | 0 | 0 | 110.6 | M233 L236 L241 A246 V259 V261 | M233-V243 HydrophobicContact CE-CG2 4.06Å; M233-V243 HydrophobicContact SD-CG2 4.49Å; L236-V243 HydrophobicContact CB-CG2 4.49Å; L236-V243 HydrophobicContact CD1-CG2 3.86Å; L241-V243 PolarHBondContact O-N 2.88Å; V243-A246 HydrophobicContact CG1-CB 3.98Å; V243-V259 HydrophobicContact CB-CG1 4.33Å; V243-V259 HydrophobicContact CG1-CG1 3.57Å; V243-V259 HydrophobicContact CG2-CG1 3.97Å; V243-V261 HydrophobicContact CG2-CG1 4.09Å |
| 244 | Q | 91.6 | Very high | 91 | Very high | 118 Ų | 118 | 80.6 Ų | 80.6 | 55% | 0.551 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88 | -44.9 | 174.8 | -60.7 | -177 | 15.3 | 0 | 0 | 111.6 | V260 | Q244-V260 HydrophobicContact CB-CG1 4.42Å; Q244-V260 PolarHBondContact N-O 2.96Å |
| 245 | H | 91.6 | Very high | 90.9 | Very high | 100 Ų | 100 | 78.9 Ų | 78.9 | 46% | 0.463 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 139.7 | 180 | -175 | 75.6 | 0 | 0 | 0 | 109.4 | V259 V260 | H245-V259 CarbonylContact O-C 3.6Å; H245-V259 WeakPolarHBondContact O-CA 3.32Å; H245-V259 WeakPolarHBondContact O-CG1 3.44Å; H245-V260 HydrophobicContact CB-CB 4.33Å; H245-V260 HydrophobicContact CB-CG2 4.47Å; H245-V260 PolarHBondContact N-O 3.4Å; H245-V260 PolarHBondContact O-N 2.89Å |
| 246 | A | 93 | Very high | 90.8 | Very high | 46 Ų | 46 | 79 Ų | 79 | 38% | 0.38 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 131.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | V243 D258 V259 | V243-A246 HydrophobicContact CG1-CB 3.98Å; A246-D258 CarbonylContact C-O 3.58Å; A246-D258 WeakPolarHBondContact CA-O 3.33Å; A246-V259 HydrophobicContact CB-CG1 4.21Å; A246-V259 HydrophobicContact CB-CG2 4.23Å |
| 247 | C | 93.1 | Very high | 90.7 | Very high | 45 Ų | 45 | 79.3 Ų | 79.3 | 30% | 0.304 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 142.9 | 169.7 | 67.6 | 0 | 0 | 0 | 0 | 110.1 | Q257 D258 | C247-Q257 WeakPolarHBondContact O-CA 3.46Å; C247-D258 PolarHBondContact N-O 3.3Å; C247-D258 PolarHBondContact O-N 3.07Å |
| 248 | V | 93.2 | Very high | 90.7 | Very high | 74 Ų | 74 | 71.9 Ų | 71.9 | 45% | 0.448 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 129.7 | 179.1 | -179.2 | 0 | 0 | 0 | 0 | 107.7 | P229 Q257 | P229-V248 HydrophobicContact CB-CG1 4.29Å; P229-V248 HydrophobicContact CB-CG2 3.96Å; P229-V248 HydrophobicContact CG-CG1 3.69Å; P229-V248 HydrophobicContact CG-CG2 4.27Å; V248-Q257 HydrophobicContact CG2-CB 4.17Å; V248-Q257 HydrophobicContact CG2-CG 3.74Å |
| 249 | T | 91.5 | Very high | 90.7 | Very high | 71 Ų | 71 | 68.2 Ų | 68.2 | 44% | 0.436 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 154 | 172.2 | 60.9 | 0 | 0 | 0 | 0 | 109.4 | V256 | T249-V256 PolarHBondContact N-O 3.05Å; T249-V256 PolarHBondContact O-N 3.46Å; T249-V256 PolarHBondContact OG1-O 2.96Å |
| 250 | R | 91.1 | Very high | 90.8 | Very high | 193 Ų | 193 | 67.5 Ų | 67.5 | 73% | 0.728 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 121.5 | 175.8 | -167.1 | 176 | -171.1 | 175.7 | 1.2 | 108.8 | M254 T255 | R250-M254 CarbonylContact C-O 3.58Å; R250-M254 WeakPolarHBondContact CA-O 3.21Å; R250-M254 WeakPolarHBondContact CG-O 2.99Å; R250-T255 HydrophobicContact CG-CG2 4.42Å |
| 251 | V | 86.1 | Confident | 90.9 | Very high | 52 Ų | 52 | 59.3 Ų | 59.3 | 32% | 0.315 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 126.7 | -175.7 | -176.9 | 0 | 0 | 0 | 0 | 108.5 | V195 G253 M254 | V195-V251 HydrophobicContact CG2-CG1 4.47Å; V251-G253 PolarHBondContact O-N 3.03Å; V251-G253 VanDerWaalsContact O-N 3.15Å; V251-M254 PolarHBondContact N-O 3.39Å; V251-M254 PolarHBondContact O-N 2.9Å; V251-M254 VanDerWaalsContact O-O 3.12Å |
| 252 | N | 84.5 | Confident | 90.9 | Very high | 130 Ų | 130 | 60.8 Ų | 60.8 | 70% | 0.695 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 37.9 | 177.2 | -60.9 | -25.1 | 0 | 0 | 0 | 114.8 | M254 | N252-M254 PolarHBondContact O-N 3.32Š|
| 253 | G | 84.6 | Confident | 90.5 | Very high | 45 Ų | 45 | 55.6 Ų | 55.6 | 46% | 0.464 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84 | -19.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | V251 | V251-G253 PolarHBondContact O-N 3.03Å; V251-G253 VanDerWaalsContact O-N 3.15Å |
| 254 | M | 87.8 | Confident | 89.4 | Confident | 43 Ų | 43 | 56.6 Ų | 56.6 | 21% | 0.212 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 150.8 | 175.4 | -62.5 | -179 | -77 | 0 | 0 | 111.5 | A198 T222 A224 R250 V251 N252 | A198-M254 HydrophobicContact CB-CE 3.96Å; A198-M254 HydrophobicContact CB-SD 3.65Å; T222-M254 HydrophobicContact CG2-CB 4.44Å; T222-M254 HydrophobicContact CG2-SD 4.33Å; A224-M254 HydrophobicContact CB-CG 4.01Å; R250-M254 CarbonylContact C-O 3.58Å; R250-M254 WeakPolarHBondContact CA-O 3.21Å; R250-M254 WeakPolarHBondContact CG-O 2.99Å; V251-M254 PolarHBondContact N-O 3.39Å; V251-M254 PolarHBondContact O-N 2.9Å; V251-M254 VanDerWaalsContact O-O 3.12Å; N252-M254 PolarHBondContact O-N 3.32Å |
| 255 | T | 91.6 | Very high | 88.1 | Confident | 22 Ų | 22 | 55.4 Ų | 55.4 | 14% | 0.135 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 133.9 | 171.3 | 61.1 | 0 | 0 | 0 | 0 | 109.5 | T222 S223 A228 R250 | T222-T255 CarbonylContact C-O 3.46Å; T222-T255 VanDerWaalsContact CA-O 3.29Å; T222-T255 WeakPolarHBondContact CA-O 3.44Å; S223-T255 PolarHBondContact N-O 2.97Å; S223-T255 PolarHBondContact O-N 3.28Å; S223-T255 PolarHBondContact O-OG1 2.76Å; A228-T255 VanDerWaalsContact CB-OG1 3.31Å; A228-T255 WeakPolarHBondContact CB-OG1 3.41Å; R250-T255 HydrophobicContact CG-CG2 4.42Å |
| 256 | V | 91.7 | Very high | 86 | Confident | 5 Ų | 5 | 55.9 Ų | 55.9 | 3% | 0.03 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 115.7 | 173.8 | -177.4 | 0 | 0 | 0 | 0 | 107 | P194 R220 A221 T222 T249 | P194-V256 HydrophobicContact CB-CG1 4.26Å; P194-V256 HydrophobicContact CB-CG2 3.59Å; P194-V256 HydrophobicContact CG-CG2 4.12Å; R220-V256 HydrophobicContact CG-CG1 4.24Å; A221-V256 CarbonylContact O-C 3.53Å; A221-V256 WeakPolarHBondContact O-CA 3.48Å; T222-V256 HydrophobicContact CG2-CG2 4.07Å; T249-V256 PolarHBondContact N-O 3.05Å; T249-V256 PolarHBondContact O-N 3.46Å; T249-V256 PolarHBondContact OG1-O 2.96Å |
| 257 | Q | 92.3 | Very high | 83.8 | Confident | 7 Ų | 7 | 60.5 Ų | 60.5 | 3% | 0.033 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 119.5 | 178.5 | -177.5 | 174.2 | 17.6 | 0 | 0 | 109.7 | R220 A221 P229 L232 C247 V248 V259 | R220-Q257 CarbonylContact C-O 3.57Å; R220-Q257 WeakPolarHBondContact CA-O 3.36Å; A221-Q257 PolarHBondContact N-O 3.28Å; A221-Q257 PolarHBondContact O-N 3.06Å; P229-Q257 PolarHBondContact O-OE1 3.26Å; L232-Q257 VanDerWaalsContact CB-OE1 3.3Å; L232-Q257 HydrophobicContact CD2-CB 4.12Å; L232-Q257 HydrophobicContact CD2-CG 3.76Å; C247-Q257 WeakPolarHBondContact O-CA 3.46Å; V248-Q257 HydrophobicContact CG2-CB 4.17Å; V248-Q257 HydrophobicContact CG2-CG 3.74Å; Q257-V259 HydrophobicContact CG-CG2 3.68Å |
| 258 | D | 92 | Very high | 81.4 | Confident | 37 Ų | 37 | 66.9 Ų | 66.9 | 20% | 0.198 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 125.7 | 173.2 | -67.3 | -33.6 | 0 | 0 | 0 | 108.7 | V219 R220 A246 C247 | V219-D258 CarbonylContact O-C 3.56Å; V219-D258 WeakPolarHBondContact O-CA 3.27Å; R220-D258 WeakPolarHBondContact CB-OD1 3.45Å; R220-D258 VanDerWaalsContact CG-OD1 3.27Å; R220-D258 WeakPolarHBondContact CG-OD1 3.47Å; R220-D258 IonicContact CZ-OD1 3.14Å; R220-D258 IonicContact CZ-OD2 3.84Å; R220-D258 IonicContact NE-OD1 2.99Å; R220-D258 PolarHBondContact NE-OD1 3.1Å; R220-D258 IonicContact NE-OD2 2.66Å; R220-D258 IonicContact NH2-OD1 2.61Å; R220-D258 PolarHBondContact NH2-OD1 2.79Å; R220-D258 IonicContact NH2-OD2 2.87Å; R220-D258 PolarHBondContact NH2-OD2 2.84Å; A246-D258 CarbonylContact C-O 3.58Å; A246-D258 WeakPolarHBondContact CA-O 3.33Å; C247-D258 PolarHBondContact N-O 3.3Å; C247-D258 PolarHBondContact O-N 3.07Å |
| 259 | V | 92.9 | Very high | 79 | Confident | 2 Ų | 2 | 68.5 Ų | 68.5 | 1% | 0.012 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 136.4 | -178.1 | -166.8 | 0 | 0 | 0 | 0 | 109.6 | A218 V219 L232 L236 V243 H245 A246 Q257 V261 | A218-V259 CarbonylContact C-O 3.53Å; A218-V259 WeakPolarHBondContact CA-O 3.39Å; V219-V259 PolarHBondContact N-O 3.27Å; V219-V259 PolarHBondContact O-N 2.95Å; L232-V259 HydrophobicContact CD2-CG2 3.72Å; L236-V259 HydrophobicContact CD1-CB 4.3Å; L236-V259 HydrophobicContact CD1-CG1 3.8Å; L236-V259 HydrophobicContact CD1-CG2 4.24Å; V243-V259 HydrophobicContact CB-CG1 4.33Å; V243-V259 HydrophobicContact CG1-CG1 3.57Å; V243-V259 HydrophobicContact CG2-CG1 3.97Å; H245-V259 CarbonylContact O-C 3.6Å; H245-V259 WeakPolarHBondContact O-CA 3.32Å; H245-V259 WeakPolarHBondContact O-CG1 3.44Å; A246-V259 HydrophobicContact CB-CG1 4.21Å; A246-V259 HydrophobicContact CB-CG2 4.23Å; Q257-V259 HydrophobicContact CG-CG2 3.68Å; V259-V261 HydrophobicContact CB-CG1 4.49Å; V259-V261 HydrophobicContact CG1-CG1 3.66Å |
| 260 | V | 92.5 | Very high | 76.7 | Confident | 36 Ų | 36 | 72.2 Ų | 72.2 | 22% | 0.218 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 123.2 | 168.4 | -178.4 | 0 | 0 | 0 | 0 | 107.8 | L212 V216 A217 Q244 H245 | L212-V260 HydrophobicContact CD1-CG1 4.34Å; V216-V260 HydrophobicContact CG1-CG1 3.63Å; A217-V260 WeakPolarHBondContact O-CA 3.42Å; Q244-V260 HydrophobicContact CB-CG1 4.42Å; Q244-V260 PolarHBondContact N-O 2.96Å; H245-V260 HydrophobicContact CB-CB 4.33Å; H245-V260 HydrophobicContact CB-CG2 4.47Å; H245-V260 PolarHBondContact N-O 3.4Å; H245-V260 PolarHBondContact O-N 2.89Å |
| 261 | V | 92 | Very high | 74.9 | Confident | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 145.5 | -177.1 | -58 | 0 | 0 | 0 | 0 | 111.6 | V216 A217 V219 L236 L241 H242 V243 V259 V263 | V216-V261 WeakPolarHBondContact CA-O 3.32Å; A217-V261 HydrophobicContact CB-CG2 3.94Å; A217-V261 PolarHBondContact N-O 2.99Å; A217-V261 PolarHBondContact O-N 3.11Å; V219-V261 HydrophobicContact CG2-CG2 4.3Å; L236-V261 HydrophobicContact CD1-CG1 4.21Å; L236-V261 HydrophobicContact CD2-CG1 3.95Å; L241-V261 HydrophobicContact CB-CB 4.27Å; L241-V261 HydrophobicContact CD1-CG2 4.46Å; H242-V261 CarbonylContact O-C 3.53Å; H242-V261 VanDerWaalsContact O-CA 3.23Å; H242-V261 WeakPolarHBondContact O-CA 3.33Å; V243-V261 HydrophobicContact CG2-CG1 4.09Å; V259-V261 HydrophobicContact CB-CG1 4.49Å; V259-V261 HydrophobicContact CG1-CG1 3.66Å; V261-V263 HydrophobicContact CG2-CG2 4.25Å |
| 262 | D | 90.4 | Very high | 73.6 | Confident | 55 Ų | 55 | 73.2 Ų | 73.2 | 29% | 0.294 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 129.1 | 167.3 | -165 | -16.7 | 0 | 0 | 0 | 109 | D215 H242 | D215-D262 CarbonylContact O-C 3.56Å; D215-D262 WeakPolarHBondContact O-CA 3.37Å; H242-D262 HydrophobicContact CB-CB 4.09Å; H242-D262 PolarHBondContact O-N 3.05Å |
| 263 | V | 85.2 | Confident | 72.7 | Confident | 31 Ų | 31 | 71.1 Ų | 71.1 | 19% | 0.188 | 41% | 0.41 | C | S | . | . | trans | -110.7 | 76.2 | 179.3 | -172.5 | 0 | 0 | 0 | 0 | 106.2 | M211 D215 A217 L241 V261 S265 L277 | M211-V263 HydrophobicContact CE-CB 4.44Å; M211-V263 HydrophobicContact CE-CG2 4.3Å; D215-V263 PolarHBondContact O-N 3.46Å; A217-V263 HydrophobicContact CB-CG2 3.66Å; L241-V263 HydrophobicContact CD2-CG2 4.41Å; V261-V263 HydrophobicContact CG2-CG2 4.25Å; V263-S265 PolarHBondContact O-N 3.35Å; V263-L277 HydrophobicContact CG2-CD2 4.39Å | ||
| 264 | A | 69 | Low | 72.2 | Confident | 77 Ų | 77 | 73 Ų | 73 | 64% | 0.636 | 41% | 0.406 | S | S | * | . | trans | -71.8 | 101 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 265 | S | 63.3 | Low | 71.9 | Confident | 92 Ų | 92 | 75.4 Ų | 75.4 | 64% | 0.643 | 42% | 0.42 | S | S | * | . | S | Bend | trans | 71.5 | 152.8 | 160.5 | -94.7 | 0 | 0 | 0 | 0 | 118.6 | V263 L267 | V263-S265 PolarHBondContact O-N 3.35Å; S265-L267 PolarHBondContact O-N 3.43Å |
| 266 | P | 47.9 | Very low | 71.7 | Confident | 111 Ų | 111 | 76.7 Ų | 76.7 | 72% | 0.721 | 44% | 0.437 | S | S | * | . | trans | -78.4 | 114.4 | -133.7 | 31.5 | -33 | 0 | 0 | 0 | 109.8 | Q268 | P266-Q268 PolarHBondContact O-N 2.89Š| ||
| 267 | L | 47 | Very low | 71.5 | Confident | 143 Ų | 143 | 77.2 Ų | 77.2 | 75% | 0.749 | 44% | 0.44 | S | S | * | . | trans | -59.2 | 98.5 | 148.2 | -73.7 | 170.9 | 0 | 0 | 0 | 105.2 | S265 V269 | S265-L267 PolarHBondContact O-N 3.43Å; L267-V269 PolarHBondContact O-N 3.37Å; L267-V269 VanDerWaalsContact O-N 3.14Å | ||
| 268 | Q | 43.7 | Very low | 71.4 | Confident | 178 Ų | 178 | 81 Ų | 81 | 83% | 0.832 | 45% | 0.454 | S | S | * | . | trans | -45.9 | 122.9 | 165.3 | -64.1 | 178.1 | -29.4 | 0 | 0 | 106.6 | P266 | P266-Q268 PolarHBondContact O-N 2.89Š| ||
| 269 | V | 41.7 | Very low | 71.3 | Confident | 109 Ų | 109 | 82 Ų | 82 | 66% | 0.661 | 47% | 0.467 | S | S | * | . | trans | 142.4 | 96.7 | 152 | 171.6 | 0 | 0 | 0 | 0 | 110.1 | L267 | L267-V269 PolarHBondContact O-N 3.37Å; L267-V269 VanDerWaalsContact O-N 3.14Å | ||
| 270 | Q | 44.3 | Very low | 71.3 | Confident | 148 Ų | 148 | 83.5 Ų | 83.5 | 69% | 0.692 | 48% | 0.48 | S | S | * | . | trans | 63.9 | 98.3 | 130.8 | -168.2 | 157.2 | 27.8 | 0 | 0 | 117.5 | D272 | Q270-D272 WeakPolarHBondContact O-CB 3.48Å; Q270-D272 PolarHBondContact O-N 3.24Å | ||
| 271 | D | 52.6 | Low | 71.2 | Confident | 164 Ų | 164 | 81.8 Ų | 81.8 | 88% | 0.877 | 47% | 0.47 | S | S | * | . | S | Bend | trans | 39.8 | 0.5 | 155.4 | -79.3 | -66.4 | 0 | 0 | 0 | 120.4 | ||
| 272 | D | 58.6 | Low | 71.2 | Confident | 102 Ų | 102 | 83.6 Ų | 83.6 | 55% | 0.545 | 48% | 0.479 | S | S | . | . | trans | -131.1 | 22.1 | -167.4 | -67.8 | -56.3 | 0 | 0 | 0 | 111 | Q270 H274 D275 G276 | Q270-D272 WeakPolarHBondContact O-CB 3.48Å; Q270-D272 PolarHBondContact O-N 3.24Å; D272-H274 PolarHBondContact O-N 2.9Å; D272-D275 PolarHBondContact O-N 3.23Å; D272-G276 PolarHBondContact O-N 2.66Å; D272-G276 VanDerWaalsContact O-N 3.15Å | ||
| 273 | D | 66.3 | Low | 71.2 | Confident | 87 Ų | 87 | 85.6 Ų | 85.6 | 47% | 0.465 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -53 | -30.9 | -174.5 | -69.7 | -47.6 | 0 | 0 | 0 | 113.2 | L277 | D273-L277 WeakPolarHBondContact O-CB 3.42Å; D273-L277 PolarHBondContact O-N 3.45Å |
| 274 | H | 74.5 | Confident | 71.5 | Confident | 83 Ų | 83 | 89.6 Ų | 89.6 | 38% | 0.384 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.6 | -45.1 | 177.7 | -64.5 | -99.4 | 0 | 0 | 0 | 112.6 | V209 M211 D272 R278 | V209-H274 PolarHBondContact O-ND1 3.19Å; M211-H274 VanDerWaalsContact CB-CE1 3.45Å; M211-H274 WeakPolarHBondContact CB-CE1 3.49Å; M211-H274 WeakPolarHBondContact CG-CE1 3.38Å; M211-H274 PolarHBondContact N-CE1 3.05Å; M211-H274 PolarHBondContact N-ND1 3.41Å; D272-H274 PolarHBondContact O-N 2.9Å; H274-R278 WeakPolarHBondContact O-CB 3.46Å; H274-R278 PolarHBondContact O-N 2.71Å |
| 275 | D | 81.6 | Confident | 72.5 | Confident | 95 Ų | 95 | 86 Ų | 86 | 51% | 0.508 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -78.1 | -34.4 | -174.9 | -76.6 | -27.6 | 0 | 0 | 0 | 111.1 | D272 R278 A279 | D272-D275 PolarHBondContact O-N 3.23Å; D275-R278 PolarHBondContact O-N 3.12Å; D275-A279 VanDerWaalsContact O-CB 3.24Å; D275-A279 WeakPolarHBondContact O-CB 3.5Å; D275-A279 PolarHBondContact O-N 2.87Å |
| 276 | G | 87 | Confident | 73.7 | Confident | 48 Ų | 48 | 86.5 Ų | 86.5 | 50% | 0.495 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.3 | -49.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | D272 A279 A280 | D272-G276 PolarHBondContact O-N 2.66Å; D272-G276 VanDerWaalsContact O-N 3.15Å; G276-A279 PolarHBondContact O-N 2.8Å; G276-A280 WeakPolarHBondContact O-CB 3.46Å; G276-A280 PolarHBondContact O-N 3.43Å |
| 277 | L | 87.9 | Confident | 75.6 | Confident | 17 Ų | 17 | 84.1 Ų | 84.1 | 9% | 0.089 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -65.7 | -42.7 | 177.2 | 178 | 54.6 | 0 | 0 | 0 | 111.7 | V209 A217 L239 L241 V263 D273 A279 A280 L281 | V209-L277 HydrophobicContact CG1-CB 4.43Å; V209-L277 HydrophobicContact CG1-CD2 3.75Å; V209-L277 HydrophobicContact CG1-CG 4.09Å; V209-L277 HydrophobicContact CG2-CG 4.49Å; A217-L277 HydrophobicContact CB-CD2 4.25Å; L239-L277 HydrophobicContact CD1-CD1 4.27Å; L241-L277 HydrophobicContact CD1-CD1 3.75Å; V263-L277 HydrophobicContact CG2-CD2 4.39Å; D273-L277 WeakPolarHBondContact O-CB 3.42Å; D273-L277 PolarHBondContact O-N 3.45Å; L277-A279 PolarHBondContact O-N 2.93Å; L277-A280 PolarHBondContact O-N 3.38Å; L277-L281 HydrophobicContact CD1-CD1 4.04Å; L277-L281 HydrophobicContact CD1-CG 4.08Å; L277-L281 HydrophobicContact CG-CD1 4.1Å; L277-L281 WeakPolarHBondContact O-CB 3.37Å; L277-L281 VanDerWaalsContact O-CG 3.3Å; L277-L281 WeakPolarHBondContact O-CG 3.42Å; L277-L281 PolarHBondContact O-N 2.96Å |
| 278 | R | 89.7 | Confident | 77.4 | Confident | 85 Ų | 85 | 79.2 Ų | 79.2 | 32% | 0.321 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -57.7 | -48 | 175.2 | -178.8 | -173.9 | -177.8 | 162.4 | 9.2 | 111.7 | V207 V209 H274 D275 L281 L282 | V207-R278 WeakPolarHBondContact O-CD 3.4Å; V207-R278 WeakPolarHBondContact O-CG 3.42Å; V207-R278 PolarHBondContact O-NE 2.9Å; V207-R278 PolarHBondContact O-NH2 2.81Å; V207-R278 VanDerWaalsContact O-NH2 3.12Å; V209-R278 HydrophobicContact CB-CB 4.36Å; V209-R278 HydrophobicContact CG2-CB 3.86Å; V209-R278 HydrophobicContact CG2-CG 4.43Å; H274-R278 WeakPolarHBondContact O-CB 3.46Å; H274-R278 PolarHBondContact O-N 2.71Å; D275-R278 PolarHBondContact O-N 3.12Å; R278-L281 PolarHBondContact O-N 2.93Å; R278-L282 HydrophobicContact CG-CD1 4.23Å; R278-L282 WeakPolarHBondContact O-CG 3.49Å; R278-L282 PolarHBondContact O-N 3.26Å |
| 279 | A | 90 | Very high | 79 | Confident | 58 Ų | 58 | 73.6 Ų | 73.6 | 48% | 0.479 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.6 | -42.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | D275 G276 L277 L281 L282 Q283 | D275-A279 VanDerWaalsContact O-CB 3.24Å; D275-A279 WeakPolarHBondContact O-CB 3.5Å; D275-A279 PolarHBondContact O-N 2.87Å; G276-A279 PolarHBondContact O-N 2.8Å; L277-A279 PolarHBondContact O-N 2.93Å; A279-L281 PolarHBondContact O-N 3.34Å; A279-L282 PolarHBondContact O-N 3.1Å; A279-Q283 WeakPolarHBondContact O-CB 3.43Å; A279-Q283 PolarHBondContact O-N 3.04Å |
| 280 | A | 91.7 | Very high | 80.6 | Confident | 34 Ų | 34 | 72.8 Ų | 72.8 | 28% | 0.281 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.1 | -42.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L239 G276 L277 Q283 R284 | L239-A280 HydrophobicContact CD1-CB 4.09Å; L239-A280 HydrophobicContact CD2-CB 4.36Å; G276-A280 WeakPolarHBondContact O-CB 3.46Å; G276-A280 PolarHBondContact O-N 3.43Å; L277-A280 PolarHBondContact O-N 3.38Å; A280-Q283 PolarHBondContact O-N 3.41Å; A280-R284 WeakPolarHBondContact O-CB 3.13Å; A280-R284 VanDerWaalsContact O-CG 3.29Å; A280-R284 WeakPolarHBondContact O-CG 3.41Å; A280-R284 PolarHBondContact O-N 3.08Å |
| 281 | L | 92.1 | Very high | 81.5 | Confident | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -64.7 | -46.7 | 176.8 | -72 | 169.3 | 0 | 0 | 0 | 112 | V207 V209 V219 A235 L236 L239 L277 R278 A279 Q283 R284 M285 | V207-L281 HydrophobicContact CG1-CB 4.34Å; V207-L281 HydrophobicContact CG1-CD1 4.3Å; V209-L281 HydrophobicContact CG2-CD1 3.95Å; V219-L281 HydrophobicContact CG1-CD1 3.88Å; V219-L281 HydrophobicContact CG2-CD1 4.01Å; A235-L281 HydrophobicContact CB-CD2 4.35Å; L236-L281 HydrophobicContact CD2-CD2 3.63Å; L236-L281 HydrophobicContact CG-CD2 4.32Å; L239-L281 HydrophobicContact CD1-CD2 3.63Å; L239-L281 HydrophobicContact CD1-CG 4.04Å; L277-L281 HydrophobicContact CD1-CD1 4.04Å; L277-L281 HydrophobicContact CD1-CG 4.08Å; L277-L281 HydrophobicContact CG-CD1 4.1Å; L277-L281 WeakPolarHBondContact O-CB 3.37Å; L277-L281 VanDerWaalsContact O-CG 3.3Å; L277-L281 WeakPolarHBondContact O-CG 3.42Å; L277-L281 PolarHBondContact O-N 2.96Å; R278-L281 PolarHBondContact O-N 2.93Å; A279-L281 PolarHBondContact O-N 3.34Å; L281-Q283 VanDerWaalsContact C-N 3.35Å; L281-Q283 PolarHBondContact O-N 3.13Å; L281-R284 PolarHBondContact O-N 3.08Å; L281-M285 WeakPolarHBondContact O-CB 3.39Å; L281-M285 VanDerWaalsContact O-CG 3.28Å; L281-M285 WeakPolarHBondContact O-CG 3.43Å; L281-M285 PolarHBondContact O-N 2.84Å |
| 282 | L | 91 | Very high | 82.9 | Confident | 38 Ų | 38 | 69.8 Ų | 69.8 | 20% | 0.199 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -60.1 | -44.6 | 176.9 | -76.7 | 170.4 | 0 | 0 | 0 | 111.7 | V207 R278 A279 M285 Q286 | V207-L282 HydrophobicContact CB-CD2 3.81Å; V207-L282 HydrophobicContact CB-CG 3.93Å; V207-L282 HydrophobicContact CG2-CD2 3.44Å; V207-L282 VanDerWaalsContact CG2-CD2 3.44Å; V207-L282 HydrophobicContact CG2-CG 3.96Å; R278-L282 HydrophobicContact CG-CD1 4.23Å; R278-L282 WeakPolarHBondContact O-CG 3.49Å; R278-L282 PolarHBondContact O-N 3.26Å; A279-L282 PolarHBondContact O-N 3.1Å; L282-M285 PolarHBondContact O-N 3.36Å; L282-Q286 VanDerWaalsContact O-CG 3.29Å; L282-Q286 WeakPolarHBondContact O-CG 3.42Å; L282-Q286 PolarHBondContact O-N 3.38Å |
| 283 | Q | 91.1 | Very high | 84.2 | Confident | 98 Ų | 98 | 68.1 Ų | 68.1 | 46% | 0.458 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.7 | -49.4 | 177.1 | -176.1 | 62.6 | 52.9 | 0 | 0 | 111.4 | A279 A280 L281 M285 Q286 D287 | A279-Q283 WeakPolarHBondContact O-CB 3.43Å; A279-Q283 PolarHBondContact O-N 3.04Å; A280-Q283 PolarHBondContact O-N 3.41Å; L281-Q283 VanDerWaalsContact C-N 3.35Å; L281-Q283 PolarHBondContact O-N 3.13Å; Q283-M285 VanDerWaalsContact C-N 3.31Å; Q283-M285 PolarHBondContact O-N 3.37Å; Q283-Q286 PolarHBondContact O-N 2.97Å; Q283-Q286 VanDerWaalsContact O-N 3.15Å; Q283-D287 PolarHBondContact NE2-OD1 3.02Å; Q283-D287 PolarHBondContact O-N 2.94Å |
| 284 | R | 91 | Very high | 85.2 | Confident | 115 Ų | 115 | 67 Ų | 67 | 43% | 0.434 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64.6 | -35.2 | 179.2 | -69.7 | -57.3 | -173.4 | -161.4 | 3.6 | 112.8 | A235 L239 A280 L281 D287 S288 | A235-R284 HydrophobicContact CB-CB 3.58Å; L239-R284 HydrophobicContact CD2-CG 4.4Å; L239-R284 HydrophobicContact CG-CG 4.44Å; A280-R284 WeakPolarHBondContact O-CB 3.13Å; A280-R284 VanDerWaalsContact O-CG 3.29Å; A280-R284 WeakPolarHBondContact O-CG 3.41Å; A280-R284 PolarHBondContact O-N 3.08Å; L281-R284 PolarHBondContact O-N 3.08Å; R284-D287 IonicContact NH1-OD2 3.39Å; R284-D287 PolarHBondContact NH1-OD2 2.75Å; R284-S288 PolarHBondContact O-N 2.79Å |
| 285 | M | 90.5 | Very high | 85.8 | Confident | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.005 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -63.1 | -47.7 | 171.8 | -75.3 | 179.9 | 65 | 0 | 0 | 110.5 | V207 R231 L232 A235 L281 L282 Q283 S288 A289 | V207-M285 HydrophobicContact CG2-SD 3.77Å; R231-M285 VanDerWaalsContact CZ-O 3.27Å; R231-M285 PolarHBondContact NE-O 3.26Å; R231-M285 VanDerWaalsContact NE-O 3.07Å; R231-M285 PolarHBondContact NH2-O 3.01Å; L232-M285 HydrophobicContact CB-SD 4.24Å; L232-M285 HydrophobicContact CD1-CG 4.45Å; L232-M285 HydrophobicContact CD1-SD 3.58Å; L232-M285 VanDerWaalsContact CD1-SD 3.58Å; A235-M285 HydrophobicContact CB-CG 3.96Å; L281-M285 WeakPolarHBondContact O-CB 3.39Å; L281-M285 VanDerWaalsContact O-CG 3.28Å; L281-M285 WeakPolarHBondContact O-CG 3.43Å; L281-M285 PolarHBondContact O-N 2.84Å; L282-M285 PolarHBondContact O-N 3.36Å; Q283-M285 VanDerWaalsContact C-N 3.31Å; Q283-M285 PolarHBondContact O-N 3.37Å; M285-S288 PolarHBondContact O-N 2.79Å; M285-S288 PolarHBondContact O-OG 3.08Å; M285-A289 PolarHBondContact O-N 2.82Å |
| 286 | Q | 88.4 | Confident | 86.1 | Confident | 102 Ų | 102 | 64.3 Ų | 64.3 | 48% | 0.477 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63 | -41.5 | 178.8 | -71.4 | 172.1 | 2.7 | 0 | 0 | 112.8 | L282 Q283 S288 A289 A290 | L282-Q286 VanDerWaalsContact O-CG 3.29Å; L282-Q286 WeakPolarHBondContact O-CG 3.42Å; L282-Q286 PolarHBondContact O-N 3.38Å; Q283-Q286 PolarHBondContact O-N 2.97Å; Q283-Q286 VanDerWaalsContact O-N 3.15Å; Q286-S288 PolarHBondContact O-N 2.8Å; Q286-A289 PolarHBondContact O-N 2.77Å; Q286-A290 PolarHBondContact O-N 3.05Å |
| 287 | D | 88 | Confident | 86 | Confident | 61 Ų | 61 | 65.3 Ų | 65.3 | 33% | 0.326 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -55.7 | -41.4 | 174.6 | -65.7 | -14.9 | 0 | 0 | 0 | 111.1 | Q283 R284 A289 A290 T291 | Q283-D287 PolarHBondContact NE2-OD1 3.02Å; Q283-D287 PolarHBondContact O-N 2.94Å; R284-D287 IonicContact NH1-OD2 3.39Å; R284-D287 PolarHBondContact NH1-OD2 2.75Å; D287-A289 VanDerWaalsContact C-N 3.28Å; D287-A289 PolarHBondContact O-N 3.49Å; D287-A290 PolarHBondContact O-N 3.42Å; D287-T291 PolarHBondContact O-OG1 2.99Å |
| 288 | S | 83.5 | Confident | 85.9 | Confident | 41 Ų | 41 | 68.8 Ų | 68.8 | 29% | 0.287 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -72.3 | -13.7 | 178.7 | 71.3 | 0 | 0 | 0 | 0 | 114.9 | R231 R284 M285 Q286 | R231-S288 WeakPolarHBondContact CG-OG 3.37Å; R231-S288 PolarHBondContact NE-OG 2.91Å; R284-S288 PolarHBondContact O-N 2.79Å; M285-S288 PolarHBondContact O-N 2.79Å; M285-S288 PolarHBondContact O-OG 3.08Å; Q286-S288 PolarHBondContact O-N 2.8Å |
| 289 | A | 78.6 | Confident | 85.6 | Confident | 59 Ų | 59 | 67.5 Ų | 67.5 | 49% | 0.488 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -86.3 | -20.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | M285 Q286 D287 T291 | M285-A289 PolarHBondContact O-N 2.82Å; Q286-A289 PolarHBondContact O-N 2.77Å; D287-A289 VanDerWaalsContact C-N 3.28Å; D287-A289 PolarHBondContact O-N 3.49Å; A289-T291 VanDerWaalsContact C-N 3.31Å |
| 290 | A | 74.1 | Confident | 85.2 | Confident | 93 Ų | 93 | 68.3 Ų | 68.3 | 77% | 0.769 | 40% | 0.401 | S | S | * | . | trans | -84.4 | -6.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q286 D287 | Q286-A290 PolarHBondContact O-N 3.05Å; D287-A290 PolarHBondContact O-N 3.42Å | ||
| 291 | T | 63.1 | Low | 84.7 | Confident | 178 Ų | 178 | 71.5 Ų | 71.5 | 100% | 1.092 | 41% | 0.412 | S | S | * | . | trans | -101.2 | 0 | -178.9 | -49.3 | 0 | 0 | 0 | 0 | 110.5 | D287 A289 | D287-T291 PolarHBondContact O-OG1 2.99Å; A289-T291 VanDerWaalsContact C-N 3.31Å |
Retrieved 291 of 291 residues in 135.1 ms
(Link to these results)