| 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 | 38.1 | Very low | 52.2 | Low | 232 Ų | 232 | 149 Ų | 149 | 100% | 1.143 | 74% | 0.741 | S | S | * | * | 0 | 130.4 | 0 | -75 | 176.6 | 166.4 | 0 | 0 | 107.1 | |||||
| 2 | S | 40.2 | Very low | 52.5 | Low | 106 Ų | 106 | 149.3 Ų | 149.3 | 74% | 0.741 | 74% | 0.735 | S | S | * | * | trans | -98.1 | 119.9 | 177 | -169.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 3 | F | 48.4 | Very low | 52.8 | Low | 182 Ų | 182 | 149.5 Ų | 149.5 | 80% | 0.798 | 74% | 0.741 | S | S | * | * | trans | -84.8 | 113.9 | 166.2 | -72.5 | -85.5 | 0 | 0 | 0 | 107.2 | D5 | F3-D5 PolarHBondContact O-N 3.27Š| ||
| 4 | N | 50.3 | Low | 53.3 | Low | 133 Ų | 133 | 148.5 Ų | 148.5 | 71% | 0.711 | 74% | 0.737 | S | S | * | * | trans | -78 | 106.1 | 169.5 | -69.8 | -13.2 | 0 | 0 | 0 | 107.3 | V6 | N4-V6 HydrophobicContact CB-CG2 4.17Å; N4-V6 PolarHBondContact O-N 3.18Å | ||
| 5 | D | 53.5 | Low | 53.7 | Low | 147 Ų | 147 | 146.1 Ų | 146.1 | 79% | 0.786 | 74% | 0.737 | S | S | * | * | trans | -68.5 | 77.2 | 166 | -87.5 | -33.2 | 0 | 0 | 0 | 109.5 | F3 F7 | F3-D5 PolarHBondContact O-N 3.27Å; D5-F7 VanDerWaalsContact C-N 3.33Å; D5-F7 PolarHBondContact O-N 3.31Å; D5-F7 VanDerWaalsContact O-N 3.09Å | ||
| 6 | V | 59.8 | Low | 54.2 | Low | 99 Ų | 99 | 146.3 Ų | 146.3 | 60% | 0.6 | 74% | 0.737 | S | S | * | * | trans | -75.2 | 94.1 | 164.8 | -177.2 | 0 | 0 | 0 | 0 | 106.3 | N4 H8 | N4-V6 HydrophobicContact CB-CG2 4.17Å; N4-V6 PolarHBondContact O-N 3.18Å; V6-H8 PolarHBondContact O-N 3.27Å | ||
| 7 | F | 57.3 | Low | 54.7 | Low | 187 Ų | 187 | 146.6 Ų | 146.6 | 82% | 0.82 | 74% | 0.741 | S | S | * | * | trans | -52.9 | 106.1 | 167.1 | -88 | -99.5 | 0 | 0 | 0 | 108.8 | D5 D9 | D5-F7 VanDerWaalsContact C-N 3.33Å; D5-F7 PolarHBondContact O-N 3.31Å; D5-F7 VanDerWaalsContact O-N 3.09Å; F7-D9 PolarHBondContact O-N 3.37Å | ||
| 8 | H | 56.7 | Low | 55.2 | Low | 126 Ų | 126 | 145.3 Ų | 145.3 | 58% | 0.583 | 74% | 0.735 | S | S | * | * | trans | -71.2 | 99.6 | 169.1 | -70.1 | -27.8 | 0 | 0 | 0 | 107.9 | V6 Y10 | V6-H8 PolarHBondContact O-N 3.27Å; H8-Y10 HydrophobicContact CB-CD1 4.45Å; H8-Y10 HydrophobicContact CB-CE1 3.99Å; H8-Y10 HydrophobicContact CB-CE2 4.12Å; H8-Y10 WeakPolarHBondContact O-CD2 3.49Å; H8-Y10 WeakPolarHBondContact O-CE2 3.49Å; H8-Y10 PolarHBondContact O-N 3.37Å | ||
| 9 | D | 56.4 | Low | 55.6 | Low | 84 Ų | 84 | 144.1 Ų | 144.1 | 45% | 0.449 | 74% | 0.741 | S | S | . | * | trans | -70.8 | 75.6 | 176.6 | -169 | 13.4 | 0 | 0 | 0 | 109 | F7 I11 K12 | F7-D9 PolarHBondContact O-N 3.37Å; D9-I11 PolarHBondContact O-N 3.45Å; D9-K12 PolarHBondContact O-N 3.17Å; D9-K12 VanDerWaalsContact O-N 3.1Å; D9-K12 WeakPolarHBondContact OD2-CD 3.49Å; D9-K12 WeakPolarHBondContact OD2-CE 3.32Å; D9-K12 IonicContact OD2-NZ 2.75Å; D9-K12 PolarHBondContact OD2-NZ 3.14Å | ||
| 10 | Y | 55.7 | Low | 56 | Low | 200 Ų | 200 | 147.5 Ų | 147.5 | 78% | 0.784 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.4 | -3 | -171.9 | -64.7 | -73.8 | 0 | 0 | 0 | 115.1 | H8 | H8-Y10 HydrophobicContact CB-CD1 4.45Å; H8-Y10 HydrophobicContact CB-CE1 3.99Å; H8-Y10 HydrophobicContact CB-CE2 4.12Å; H8-Y10 WeakPolarHBondContact O-CD2 3.49Å; H8-Y10 WeakPolarHBondContact O-CE2 3.49Å; H8-Y10 PolarHBondContact O-N 3.37Å |
| 11 | I | 57.5 | Low | 56.5 | Low | 143 Ų | 143 | 148.4 Ų | 148.4 | 73% | 0.733 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -19.2 | 178.2 | -60.8 | 176.2 | 0 | 0 | 0 | 111.7 | D9 | D9-I11 PolarHBondContact O-N 3.45Š|
| 12 | K | 56 | Low | 57.6 | Low | 153 Ų | 153 | 145.8 Ų | 145.8 | 67% | 0.665 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -23.1 | -167.2 | -80 | -177.9 | 176.3 | 145.9 | 0 | 117.5 | D9 | D9-K12 PolarHBondContact O-N 3.17Å; D9-K12 VanDerWaalsContact O-N 3.1Å; D9-K12 WeakPolarHBondContact OD2-CD 3.49Å; D9-K12 WeakPolarHBondContact OD2-CE 3.32Å; D9-K12 IonicContact OD2-NZ 2.75Å; D9-K12 PolarHBondContact OD2-NZ 3.14Å |
| 13 | D | 56.8 | Low | 58.9 | Low | 152 Ų | 152 | 149.1 Ų | 149.1 | 81% | 0.813 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.7 | 52.2 | -174.6 | -67.5 | -49.6 | 0 | 0 | 0 | 113 | P15 | D13-P15 WeakPolarHBondContact O-CD 3.38Š|
| 14 | I | 59.6 | Low | 59.9 | Low | 135 Ų | 135 | 145.2 Ų | 145.2 | 69% | 0.692 | 72% | 0.716 | S | S | * | * | trans | -92.2 | 101.3 | 158.3 | -58 | 178.5 | 0 | 0 | 0 | 107.6 | M16 | I14-M16 PolarHBondContact O-N 2.61Š| ||
| 15 | P | 59.8 | Low | 60.8 | Low | 113 Ų | 113 | 145 Ų | 145 | 73% | 0.734 | 72% | 0.72 | S | S | * | * | trans | -65.9 | 103.2 | 172.4 | 27.1 | -33.5 | 0 | 0 | 0 | 109.2 | D13 D17 | D13-P15 WeakPolarHBondContact O-CD 3.38Å; P15-D17 PolarHBondContact O-N 3Å | ||
| 16 | M | 60.3 | Low | 61.6 | Low | 149 Ų | 149 | 149.1 Ų | 149.1 | 73% | 0.734 | 72% | 0.724 | S | S | * | * | trans | -82.2 | 93.2 | 178.4 | -170.9 | 175.3 | 63 | 0 | 0 | 109.2 | I14 I18 | I14-M16 PolarHBondContact O-N 2.61Å; M16-I18 HydrophobicContact CE-CD1 4.03Å; M16-I18 HydrophobicContact CE-CG1 4.08Å; M16-I18 HydrophobicContact CG-CG1 4.49Å; M16-I18 WeakPolarHBondContact O-CG1 3.24Å; M16-I18 PolarHBondContact O-N 3.29Å | ||
| 17 | D | 63.4 | Low | 62.3 | Low | 151 Ų | 151 | 152.4 Ų | 152.4 | 81% | 0.807 | 74% | 0.739 | S | S | * | * | trans | -66.2 | 92.3 | 175.3 | -90.4 | -27.6 | 0 | 0 | 0 | 111 | P15 S19 | P15-D17 PolarHBondContact O-N 3Å; D17-S19 PolarHBondContact O-N 3.14Å | ||
| 18 | I | 64.3 | Low | 63.1 | Low | 124 Ų | 124 | 150.5 Ų | 150.5 | 64% | 0.636 | 74% | 0.736 | S | S | * | * | trans | -72.3 | 80.1 | 175.4 | -50 | 176.6 | 0 | 0 | 0 | 108.8 | M16 R20 | M16-I18 HydrophobicContact CE-CD1 4.03Å; M16-I18 HydrophobicContact CE-CG1 4.08Å; M16-I18 HydrophobicContact CG-CG1 4.49Å; M16-I18 WeakPolarHBondContact O-CG1 3.24Å; M16-I18 PolarHBondContact O-N 3.29Å; I18-R20 WeakPolarHBondContact CG2-O 3.33Å; I18-R20 PolarHBondContact O-N 3.49Å | ||
| 19 | S | 62.2 | Low | 63.6 | Low | 121 Ų | 121 | 152.3 Ų | 152.3 | 85% | 0.846 | 75% | 0.749 | S | S | * | * | trans | -64.6 | 2.8 | -174.7 | 64 | 0 | 0 | 0 | 0 | 115.8 | D17 | D17-S19 PolarHBondContact O-N 3.14Š| ||
| 20 | R | 63.9 | Low | 64.3 | Low | 212 Ų | 212 | 153.1 Ų | 153.1 | 80% | 0.8 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -130.3 | 122.6 | 171.2 | -77.8 | -175.6 | 165.2 | -151.2 | -3.7 | 110.3 | I18 F22 | I18-R20 WeakPolarHBondContact CG2-O 3.33Å; I18-R20 PolarHBondContact O-N 3.49Å; R20-F22 PolarHBondContact O-N 2.97Å |
| 21 | K | 66.4 | Low | 65.2 | Low | 167 Ų | 167 | 150.9 Ų | 150.9 | 73% | 0.726 | 76% | 0.759 | S | S | * | * | trans | -51.1 | 110.1 | 165.4 | -66.4 | 177.8 | -178.4 | 178.8 | 0 | 108.4 | Y23 | K21-Y23 HydrophobicContact CB-CD2 4.1Å; K21-Y23 HydrophobicContact CB-CE2 3.53Å; K21-Y23 HydrophobicContact CD-CE2 4.27Å; K21-Y23 WeakPolarHBondContact CD-OH 3.25Å; K21-Y23 VanDerWaalsContact O-CD2 3.22Å; K21-Y23 WeakPolarHBondContact O-CD2 3.38Å; K21-Y23 PolarHBondContact O-N 3.48Å | ||
| 22 | F | 61.5 | Low | 65.8 | Low | 177 Ų | 177 | 154.4 Ų | 154.4 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | trans | -71.6 | 96.2 | 176.3 | -176.4 | -93.2 | 0 | 0 | 0 | 108.1 | R20 P24 | R20-F22 PolarHBondContact O-N 2.97Å; F22-P24 HydrophobicContact CE1-CB 4.22Å; F22-P24 VanDerWaalsContact O-CD 3.26Å; F22-P24 WeakPolarHBondContact O-CD 3.42Å | ||
| 23 | Y | 66.8 | Low | 66.6 | Low | 176 Ų | 176 | 153.7 Ų | 153.7 | 69% | 0.69 | 77% | 0.772 | S | S | * | * | trans | -84 | 109.1 | 169 | -66.6 | -77.4 | 0 | 0 | 0 | 107.5 | K21 T25 | K21-Y23 HydrophobicContact CB-CD2 4.1Å; K21-Y23 HydrophobicContact CB-CE2 3.53Å; K21-Y23 HydrophobicContact CD-CE2 4.27Å; K21-Y23 WeakPolarHBondContact CD-OH 3.25Å; K21-Y23 VanDerWaalsContact O-CD2 3.22Å; K21-Y23 WeakPolarHBondContact O-CD2 3.38Å; K21-Y23 PolarHBondContact O-N 3.48Å; Y23-T25 PolarHBondContact O-N 2.99Å | ||
| 24 | P | 69.3 | Low | 67.1 | Low | 101 Ų | 101 | 155.3 Ų | 155.3 | 66% | 0.656 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 131.7 | 172.9 | 24 | -32.5 | 0 | 0 | 0 | 108.7 | F22 | F22-P24 HydrophobicContact CE1-CB 4.22Å; F22-P24 VanDerWaalsContact O-CD 3.26Å; F22-P24 WeakPolarHBondContact O-CD 3.42Å |
| 25 | T | 70 | Confident | 67.8 | Low | 129 Ų | 129 | 155.4 Ų | 155.4 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 140.4 | 177.3 | 44.8 | 0 | 0 | 0 | 0 | 109.7 | Y23 N27 | Y23-T25 PolarHBondContact O-N 2.99Å; T25-N27 PolarHBondContact O-N 3.49Å |
| 26 | R | 68.9 | Low | 68.4 | Low | 232 Ų | 232 | 154.6 Ų | 154.6 | 88% | 0.875 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 134.8 | -179.9 | -65.9 | -179.4 | 178.9 | 175.5 | -0.8 | 110.1 | I28 | R26-I28 PolarHBondContact O-N 3.21Š|
| 27 | N | 75.1 | Confident | 68.8 | Low | 168 Ų | 168 | 152.8 Ų | 152.8 | 90% | 0.898 | 76% | 0.763 | S | S | * | * | trans | -59.5 | 109.6 | 173.1 | -69 | -28.1 | 0 | 0 | 0 | 109.1 | T25 N29 | T25-N27 PolarHBondContact O-N 3.49Å; N27-N29 PolarHBondContact O-N 3.46Å | ||
| 28 | I | 73.4 | Confident | 68.7 | Low | 148 Ų | 148 | 150.9 Ų | 150.9 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | trans | -83.7 | 111 | 172.5 | -59.7 | 173.1 | 0 | 0 | 0 | 106 | R26 V30 | R26-I28 PolarHBondContact O-N 3.21Å; I28-V30 HydrophobicContact CG2-CG1 4.18Å; I28-V30 PolarHBondContact O-N 3.44Å; I28-V30 VanDerWaalsContact O-N 3.17Å | ||
| 29 | N | 67.8 | Low | 68.7 | Low | 163 Ų | 163 | 154 Ų | 154 | 87% | 0.872 | 76% | 0.756 | S | S | * | * | trans | -74.8 | 105.7 | 172.4 | -145.7 | 12 | 0 | 0 | 0 | 107 | N27 | N27-N29 PolarHBondContact O-N 3.46Š| ||
| 30 | V | 72.1 | Confident | 68.6 | Low | 102 Ų | 102 | 154.8 Ų | 154.8 | 62% | 0.618 | 74% | 0.744 | S | S | * | * | trans | -85 | 134.2 | 174.7 | -69.7 | 0 | 0 | 0 | 0 | 108.7 | I28 | I28-V30 HydrophobicContact CG2-CG1 4.18Å; I28-V30 PolarHBondContact O-N 3.44Å; I28-V30 VanDerWaalsContact O-N 3.17Å | ||
| 31 | D | 74.7 | Confident | 68.3 | Low | 153 Ų | 153 | 151.1 Ų | 151.1 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | trans | -57.3 | 153.3 | 173.8 | -68.5 | -48.4 | 0 | 0 | 0 | 110.7 | I33 | D31-I33 PolarHBondContact O-N 3.49Š| ||
| 32 | F | 68.6 | Low | 67.9 | Low | 216 Ų | 216 | 152 Ų | 152 | 95% | 0.947 | 75% | 0.75 | S | S | * | * | trans | -57.4 | 97.8 | -178.5 | -80.9 | -89.4 | 0 | 0 | 0 | 111.3 | Q34 | F32-Q34 PolarHBondContact O-N 2.61Š| ||
| 33 | I | 72.6 | Confident | 67.7 | Low | 139 Ų | 139 | 151.7 Ų | 151.7 | 71% | 0.713 | 75% | 0.748 | S | S | * | * | trans | -65.9 | 102.9 | 174.9 | -57.3 | 178.5 | 0 | 0 | 0 | 107.4 | D31 I35 | D31-I33 PolarHBondContact O-N 3.49Å; I33-I35 PolarHBondContact O-N 3.45Å | ||
| 34 | Q | 69.2 | Low | 67.8 | Low | 186 Ų | 186 | 152.2 Ų | 152.2 | 87% | 0.869 | 76% | 0.757 | S | S | * | * | trans | -74.9 | 92.3 | 178.4 | -150.4 | 172.2 | 35.6 | 0 | 0 | 108.6 | F32 P36 | F32-Q34 PolarHBondContact O-N 2.61Å; Q34-P36 WeakPolarHBondContact O-CD 3.49Å | ||
| 35 | I | 72.7 | Confident | 67.9 | Low | 136 Ų | 136 | 156 Ų | 156 | 70% | 0.697 | 76% | 0.759 | S | S | * | * | trans | -62.7 | 121 | 174.6 | -57.6 | 176.7 | 0 | 0 | 0 | 107.4 | I33 | I33-I35 PolarHBondContact O-N 3.45Š| ||
| 36 | P | 72.6 | Confident | 68.4 | Low | 97 Ų | 97 | 153.4 Ų | 153.4 | 63% | 0.63 | 75% | 0.747 | S | S | * | * | trans | -61 | 140.7 | 177.2 | -22.2 | 33.7 | 0 | 0 | 0 | 110.6 | Q34 L38 | Q34-P36 WeakPolarHBondContact O-CD 3.49Å; P36-L38 PolarHBondContact O-N 3Å | ||
| 37 | D | 69.6 | Low | 69 | Low | 111 Ų | 111 | 148.4 Ų | 148.4 | 59% | 0.594 | 73% | 0.731 | S | S | * | * | trans | -69.3 | 98.7 | 178.1 | -168.3 | -7.5 | 0 | 0 | 0 | 109.9 | R39 | D37-R39 PolarHBondContact O-N 3.31Å; D37-R39 VanDerWaalsContact OD1-CG 3.23Å; D37-R39 WeakPolarHBondContact OD1-CG 3.18Å; D37-R39 IonicContact OD1-NE 2.73Å; D37-R39 PolarHBondContact OD1-NE 2.85Å; D37-R39 IonicContact OD2-CZ 3.5Å; D37-R39 IonicContact OD2-NE 3.22Å; D37-R39 PolarHBondContact OD2-NE 2.82Å; D37-R39 IonicContact OD2-NH2 2.7Å; D37-R39 PolarHBondContact OD2-NH2 3.32Å | ||
| 38 | L | 61.7 | Low | 69.5 | Low | 111 Ų | 111 | 146.7 Ų | 146.7 | 58% | 0.581 | 72% | 0.718 | S | S | * | * | trans | -76.1 | 55 | -177.3 | -66.2 | 175 | 0 | 0 | 0 | 111.7 | P36 F40 | P36-L38 PolarHBondContact O-N 3Å; L38-F40 VanDerWaalsContact C-N 3.28Å; L38-F40 HydrophobicContact CB-CD2 4.25Å; L38-F40 HydrophobicContact CB-CE1 4.47Å; L38-F40 HydrophobicContact CB-CE2 3.7Å; L38-F40 HydrophobicContact CB-CZ 3.84Å; L38-F40 HydrophobicContact CD1-CE2 4.34Å; L38-F40 HydrophobicContact CD1-CZ 3.97Å; L38-F40 HydrophobicContact CD2-CE1 4.35Å; L38-F40 HydrophobicContact CD2-CZ 4.17Å; L38-F40 HydrophobicContact CG-CZ 4.22Å; L38-F40 WeakPolarHBondContact O-CD2 3.46Å; L38-F40 PolarHBondContact O-N 3.18Å | ||
| 39 | R | 63.7 | Low | 69.9 | Low | 188 Ų | 188 | 143.1 Ų | 143.1 | 71% | 0.709 | 71% | 0.711 | S | S | * | * | trans | -71.1 | 89.5 | 166.7 | -54.7 | -166.1 | -163.9 | 175.1 | 9.2 | 108.3 | D37 T41 | D37-R39 PolarHBondContact O-N 3.31Å; D37-R39 VanDerWaalsContact OD1-CG 3.23Å; D37-R39 WeakPolarHBondContact OD1-CG 3.18Å; D37-R39 IonicContact OD1-NE 2.73Å; D37-R39 PolarHBondContact OD1-NE 2.85Å; D37-R39 IonicContact OD2-CZ 3.5Å; D37-R39 IonicContact OD2-NE 3.22Å; D37-R39 PolarHBondContact OD2-NE 2.82Å; D37-R39 IonicContact OD2-NH2 2.7Å; D37-R39 PolarHBondContact OD2-NH2 3.32Å; R39-T41 HydrophobicContact CB-CG2 4.48Å; R39-T41 PolarHBondContact O-N 3.4Å | ||
| 40 | F | 59.8 | Low | 70.9 | Confident | 138 Ų | 138 | 139.2 Ų | 139.2 | 61% | 0.605 | 69% | 0.687 | S | S | * | * | trans | -68.8 | 61.5 | 178.7 | -62.9 | -75.9 | 0 | 0 | 0 | 112.5 | L38 K42 F43 | L38-F40 VanDerWaalsContact C-N 3.28Å; L38-F40 HydrophobicContact CB-CD2 4.25Å; L38-F40 HydrophobicContact CB-CE1 4.47Å; L38-F40 HydrophobicContact CB-CE2 3.7Å; L38-F40 HydrophobicContact CB-CZ 3.84Å; L38-F40 HydrophobicContact CD1-CE2 4.34Å; L38-F40 HydrophobicContact CD1-CZ 3.97Å; L38-F40 HydrophobicContact CD2-CE1 4.35Å; L38-F40 HydrophobicContact CD2-CZ 4.17Å; L38-F40 HydrophobicContact CG-CZ 4.22Å; L38-F40 WeakPolarHBondContact O-CD2 3.46Å; L38-F40 PolarHBondContact O-N 3.18Å; F40-K42 PolarHBondContact O-N 3.23Å; F40-K42 VanDerWaalsContact O-N 3.09Å; F40-F43 HydrophobicContact CD1-CD2 4.15Å | ||
| 41 | T | 58 | Low | 71.7 | Confident | 135 Ų | 135 | 137.9 Ų | 137.9 | 83% | 0.828 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | 2.4 | 174 | 56 | 0 | 0 | 0 | 0 | 113.7 | R39 | R39-T41 HydrophobicContact CB-CG2 4.48Å; R39-T41 PolarHBondContact O-N 3.4Å |
| 42 | K | 58.8 | Low | 72.3 | Confident | 187 Ų | 187 | 138 Ų | 138 | 81% | 0.813 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.4 | 1.3 | -171.7 | -143 | -178.3 | -175.3 | -179.1 | 0 | 114.7 | F40 | F40-K42 PolarHBondContact O-N 3.23Å; F40-K42 VanDerWaalsContact O-N 3.09Å |
| 43 | F | 57.6 | Low | 73.2 | Confident | 169 Ų | 169 | 130.2 Ų | 130.2 | 74% | 0.741 | 64% | 0.644 | S | S | * | * | trans | -125.2 | 63.5 | 174.3 | -68.3 | -75.3 | 0 | 0 | 0 | 109.4 | F40 Y45 | F40-F43 HydrophobicContact CD1-CD2 4.15Å; F43-Y45 PolarHBondContact O-N 2.94Å | ||
| 44 | E | 67.6 | Low | 73.6 | Confident | 187 Ų | 187 | 130.1 Ų | 130.1 | 87% | 0.874 | 64% | 0.635 | S | S | * | * | trans | -67.1 | 113.2 | 164.8 | -171.9 | 166.3 | -155.4 | 0 | 0 | 107.9 | S46 | E44-S46 PolarHBondContact O-N 2.94Š| ||
| 45 | Y | 70.8 | Confident | 74.5 | Confident | 181 Ų | 181 | 125.8 Ų | 125.8 | 71% | 0.71 | 62% | 0.615 | S | S | * | * | trans | -76 | 108.3 | -177.3 | -175.2 | -92.2 | 0 | 0 | 0 | 109.4 | F43 F47 | F43-Y45 PolarHBondContact O-N 2.94Å; Y45-F47 HydrophobicContact CD1-CE1 4.31Å; Y45-F47 HydrophobicContact CD1-CZ 4.33Å; Y45-F47 HydrophobicContact CE1-CD1 4.43Å; Y45-F47 HydrophobicContact CE1-CE1 4.34Å | ||
| 46 | S | 80.7 | Confident | 75.1 | Confident | 75 Ų | 75 | 124.9 Ų | 124.9 | 52% | 0.524 | 61% | 0.607 | S | S | . | * | trans | -81.1 | 124.6 | -178.5 | 60.8 | 0 | 0 | 0 | 0 | 111.7 | E44 E48 | E44-S46 PolarHBondContact O-N 2.94Å; S46-E48 PolarHBondContact O-N 3.33Å | ||
| 47 | F | 83.1 | Confident | 75.5 | Confident | 126 Ų | 126 | 126.2 Ų | 126.2 | 55% | 0.553 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | 3 | 179.1 | -68.8 | -84.8 | 0 | 0 | 0 | 114.2 | Y45 A49 E50 T51 | Y45-F47 HydrophobicContact CD1-CE1 4.31Å; Y45-F47 HydrophobicContact CD1-CZ 4.33Å; Y45-F47 HydrophobicContact CE1-CD1 4.43Å; Y45-F47 HydrophobicContact CE1-CE1 4.34Å; F47-A49 PolarHBondContact O-N 3.44Å; F47-A49 VanDerWaalsContact O-N 3.11Å; F47-E50 WeakPolarHBondContact CD1-OE2 3.26Å; F47-E50 WeakPolarHBondContact O-CA 3.1Å; F47-E50 WeakPolarHBondContact O-CB 3.24Å; F47-E50 PolarHBondContact O-N 2.93Å; F47-T51 PolarHBondContact O-N 2.9Å; F47-T51 PolarHBondContact O-OG1 3.12Å |
| 48 | E | 85.3 | Confident | 76.2 | Confident | 133 Ų | 133 | 124.9 Ų | 124.9 | 62% | 0.621 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -52.4 | -37.3 | -176.4 | -65.8 | -176.4 | -175.2 | 0 | 0 | 114 | S46 R52 | S46-E48 PolarHBondContact O-N 3.33Å; E48-R52 WeakPolarHBondContact O-CB 3.22Å; E48-R52 PolarHBondContact O-N 3.07Å |
| 49 | A | 82.1 | Confident | 77.1 | Confident | 73 Ų | 73 | 126.2 Ų | 126.2 | 60% | 0.603 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -69.2 | -37.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | F47 A53 | F47-A49 PolarHBondContact O-N 3.44Å; F47-A49 VanDerWaalsContact O-N 3.11Å; A49-A53 WeakPolarHBondContact O-CB 3.4Å; A49-A53 PolarHBondContact O-N 3.35Å; A49-A53 VanDerWaalsContact O-N 3.1Å |
| 50 | E | 88.4 | Confident | 77.7 | Confident | 80 Ų | 80 | 124.8 Ų | 124.8 | 37% | 0.374 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -71.8 | -44 | 176.9 | -171.5 | -179.3 | 158.5 | 0 | 0 | 111 | F47 R52 A53 R54 | F47-E50 WeakPolarHBondContact CD1-OE2 3.26Å; F47-E50 WeakPolarHBondContact O-CA 3.1Å; F47-E50 WeakPolarHBondContact O-CB 3.24Å; F47-E50 PolarHBondContact O-N 2.93Å; E50-R52 VanDerWaalsContact C-N 3.33Å; E50-R52 PolarHBondContact O-N 3.01Å; E50-A53 PolarHBondContact O-N 3.35Å; E50-R54 PolarHBondContact O-N 2.88Å; E50-R54 IonicContact OE1-CZ 2.63Å; E50-R54 IonicContact OE1-NH1 2.75Å; E50-R54 PolarHBondContact OE1-NH1 3.3Å; E50-R54 IonicContact OE1-NH2 3.95Å; E50-R54 PolarHBondContact OE1-NH2 2.23Å |
| 51 | T | 88.1 | Confident | 78.2 | Confident | 75 Ų | 75 | 122.9 Ų | 122.9 | 46% | 0.46 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -58.3 | -45.9 | 175.4 | -50.1 | 0 | 0 | 0 | 0 | 111 | F47 A53 R54 E55 | F47-T51 PolarHBondContact O-N 2.9Å; F47-T51 PolarHBondContact O-OG1 3.12Å; T51-A53 VanDerWaalsContact C-N 3.35Å; T51-A53 PolarHBondContact O-N 3.04Å; T51-R54 PolarHBondContact O-N 2.63Å; T51-E55 PolarHBondContact O-N 3.38Å |
| 52 | R | 87.8 | Confident | 78.7 | Confident | 154 Ų | 154 | 123 Ų | 123 | 58% | 0.581 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -62.6 | -39.8 | 176.9 | -172.4 | -177.4 | -58.9 | 160.8 | 7.2 | 112.5 | E48 E50 Q56 | E48-R52 WeakPolarHBondContact O-CB 3.22Å; E48-R52 PolarHBondContact O-N 3.07Å; E50-R52 VanDerWaalsContact C-N 3.33Å; E50-R52 PolarHBondContact O-N 3.01Å; R52-Q56 WeakPolarHBondContact O-CG 3.44Å; R52-Q56 PolarHBondContact O-N 3.49Å |
| 53 | A | 86.6 | Confident | 78.7 | Confident | 54 Ų | 54 | 118.5 Ų | 118.5 | 45% | 0.446 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -65.9 | -39.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A49 E50 T51 Q56 F57 | A49-A53 WeakPolarHBondContact O-CB 3.4Å; A49-A53 PolarHBondContact O-N 3.35Å; A49-A53 VanDerWaalsContact O-N 3.1Å; E50-A53 PolarHBondContact O-N 3.35Å; T51-A53 VanDerWaalsContact C-N 3.35Å; T51-A53 PolarHBondContact O-N 3.04Å; A53-Q56 PolarHBondContact O-N 2.89Å; A53-F57 PolarHBondContact O-N 2.89Å |
| 54 | R | 82.6 | Confident | 78.5 | Confident | 137 Ų | 137 | 117.6 Ų | 117.6 | 52% | 0.517 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.1 | -49.9 | 175.4 | -147.1 | 101.7 | 76.8 | -147.4 | -3.5 | 111.2 | E50 T51 Q56 F57 D58 | E50-R54 PolarHBondContact O-N 2.88Å; E50-R54 IonicContact OE1-CZ 2.63Å; E50-R54 IonicContact OE1-NH1 2.75Å; E50-R54 PolarHBondContact OE1-NH1 3.3Å; E50-R54 IonicContact OE1-NH2 3.95Å; E50-R54 PolarHBondContact OE1-NH2 2.23Å; T51-R54 PolarHBondContact O-N 2.63Å; R54-Q56 VanDerWaalsContact C-N 3.27Å; R54-Q56 PolarHBondContact O-N 3.49Å; R54-F57 WeakPolarHBondContact O-CB 3.37Å; R54-F57 PolarHBondContact O-N 2.89Å; R54-F57 VanDerWaalsContact O-N 3.09Å; R54-D58 VanDerWaalsContact O-CG 3.25Å; R54-D58 PolarHBondContact O-N 3.05Å |
| 55 | E | 86.9 | Confident | 77.8 | Confident | 95 Ų | 95 | 114.8 Ų | 114.8 | 44% | 0.444 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -57.1 | -37.7 | 175.4 | -77.2 | -173.7 | -146.4 | 0 | 0 | 113.5 | T51 K59 | T51-E55 PolarHBondContact O-N 3.38Å; E55-K59 VanDerWaalsContact O-CB 3.27Å; E55-K59 WeakPolarHBondContact O-CB 3.45Å; E55-K59 VanDerWaalsContact O-CD 3.31Å; E55-K59 WeakPolarHBondContact O-CD 3.26Å; E55-K59 WeakPolarHBondContact O-CG 3.34Å; E55-K59 PolarHBondContact O-N 2.88Å; E55-K59 IonicContact OE2-NZ 2.7Å; E55-K59 PolarHBondContact OE2-NZ 2.94Å |
| 56 | Q | 84.9 | Confident | 76.7 | Confident | 116 Ų | 116 | 112.7 Ų | 112.7 | 54% | 0.542 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -68.4 | -39.3 | 177.7 | -77.6 | 179 | -29.8 | 0 | 0 | 111.8 | R52 A53 R54 Q60 | R52-Q56 WeakPolarHBondContact O-CG 3.44Å; R52-Q56 PolarHBondContact O-N 3.49Å; A53-Q56 PolarHBondContact O-N 2.89Å; R54-Q56 VanDerWaalsContact C-N 3.27Å; R54-Q56 PolarHBondContact O-N 3.49Å; Q56-Q60 VanDerWaalsContact O-CG 3.3Å; Q56-Q60 WeakPolarHBondContact O-CG 3.4Å; Q56-Q60 PolarHBondContact O-N 2.99Å |
| 57 | F | 82.3 | Confident | 74.9 | Confident | 126 Ų | 126 | 116.5 Ų | 116.5 | 55% | 0.553 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -65.4 | -45.3 | 174.6 | -179.7 | -95.9 | 0 | 0 | 0 | 111.6 | A53 R54 Q60 N61 | A53-F57 PolarHBondContact O-N 2.89Å; R54-F57 WeakPolarHBondContact O-CB 3.37Å; R54-F57 PolarHBondContact O-N 2.89Å; R54-F57 VanDerWaalsContact O-N 3.09Å; F57-Q60 PolarHBondContact O-N 3.39Å; F57-N61 WeakPolarHBondContact CD1-ND2 3.31Å; F57-N61 WeakPolarHBondContact CE1-ND2 3.31Å; F57-N61 WeakPolarHBondContact CE2-ND2 3.17Å; F57-N61 WeakPolarHBondContact CZ-ND2 3.33Å; F57-N61 PolarHBondContact O-N 3.3Å; F57-N61 VanDerWaalsContact O-N 3.12Å; F57-N61 PolarHBondContact O-ND2 2.85Å |
| 58 | D | 83.1 | Confident | 72.9 | Confident | 82 Ų | 82 | 115.1 Ų | 115.1 | 44% | 0.439 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.6 | -45.9 | 179.3 | -61.1 | -26.4 | 0 | 0 | 0 | 110.6 | R54 Q60 N61 E62 | R54-D58 VanDerWaalsContact O-CG 3.25Å; R54-D58 PolarHBondContact O-N 3.05Å; D58-Q60 PolarHBondContact O-N 2.8Å; D58-Q60 VanDerWaalsContact O-N 3.15Å; D58-N61 CarbonylContact O-C 3.51Å; D58-N61 PolarHBondContact O-N 3.11Å; D58-E62 PolarHBondContact O-N 2.98Å |
| 59 | K | 81.2 | Confident | 70.6 | Confident | 139 Ų | 139 | 115.3 Ų | 115.3 | 60% | 0.604 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -60.6 | -23 | 174.7 | -75 | 164.3 | -177.8 | 156.5 | 0 | 114.4 | E55 | E55-K59 VanDerWaalsContact O-CB 3.27Å; E55-K59 WeakPolarHBondContact O-CB 3.45Å; E55-K59 VanDerWaalsContact O-CD 3.31Å; E55-K59 WeakPolarHBondContact O-CD 3.26Å; E55-K59 WeakPolarHBondContact O-CG 3.34Å; E55-K59 PolarHBondContact O-N 2.88Å; E55-K59 IonicContact OE2-NZ 2.7Å; E55-K59 PolarHBondContact OE2-NZ 2.94Å |
| 60 | Q | 75.3 | Confident | 68.3 | Low | 159 Ų | 159 | 116.2 Ų | 116.2 | 74% | 0.743 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -87.7 | -20.6 | 174.9 | -75.7 | 177.6 | -9.3 | 0 | 0 | 113.1 | Q56 F57 D58 | Q56-Q60 VanDerWaalsContact O-CG 3.3Å; Q56-Q60 WeakPolarHBondContact O-CG 3.4Å; Q56-Q60 PolarHBondContact O-N 2.99Å; F57-Q60 PolarHBondContact O-N 3.39Å; D58-Q60 PolarHBondContact O-N 2.8Å; D58-Q60 VanDerWaalsContact O-N 3.15Å |
| 61 | N | 71.1 | Confident | 65.7 | Low | 97 Ų | 97 | 119.4 Ų | 119.4 | 52% | 0.519 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -104.9 | -1.7 | -179.9 | -70 | -48.1 | 0 | 0 | 0 | 113.8 | F57 D58 P63 | F57-N61 WeakPolarHBondContact CD1-ND2 3.31Å; F57-N61 WeakPolarHBondContact CE1-ND2 3.31Å; F57-N61 WeakPolarHBondContact CE2-ND2 3.17Å; F57-N61 WeakPolarHBondContact CZ-ND2 3.33Å; F57-N61 PolarHBondContact O-N 3.3Å; F57-N61 VanDerWaalsContact O-N 3.12Å; F57-N61 PolarHBondContact O-ND2 2.85Å; D58-N61 CarbonylContact O-C 3.51Å; D58-N61 PolarHBondContact O-N 3.11Å; N61-P63 WeakPolarHBondContact O-CD 3.4Å; N61-P63 VanDerWaalsContact O-N 3.13Å |
| 62 | E | 67.8 | Low | 63.3 | Low | 137 Ų | 137 | 124.3 Ų | 124.3 | 64% | 0.64 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -53 | 116 | 166.6 | -83 | -63.5 | 162 | 0 | 0 | 109.5 | D58 I64 | D58-E62 PolarHBondContact O-N 2.98Å; E62-I64 PolarHBondContact O-N 3.27Å |
| 63 | P | 59.7 | Low | 60.6 | Low | 93 Ų | 93 | 124.2 Ų | 124.2 | 60% | 0.604 | 66% | 0.663 | S | S | * | * | trans | -63.9 | 131.7 | 178.7 | 26.9 | -33 | 0 | 0 | 0 | 108.5 | N61 V65 | N61-P63 WeakPolarHBondContact O-CD 3.4Å; N61-P63 VanDerWaalsContact O-N 3.13Å; P63-V65 VanDerWaalsContact C-N 3.25Å; P63-V65 PolarHBondContact O-N 2.85Å | ||
| 64 | I | 53.9 | Low | 58 | Low | 151 Ų | 151 | 127.1 Ų | 127.1 | 77% | 0.774 | 68% | 0.675 | S | S | * | * | trans | -66.7 | 88.2 | 177.3 | -57.3 | 173 | 0 | 0 | 0 | 108.5 | E62 L66 | E62-I64 PolarHBondContact O-N 3.27Å; I64-L66 HydrophobicContact CG2-CB 4.44Å; I64-L66 HydrophobicContact CG2-CD1 3.91Å; I64-L66 HydrophobicContact CG2-CG 3.8Å; I64-L66 PolarHBondContact O-N 3.42Å | ||
| 65 | V | 51.7 | Low | 55.5 | Low | 128 Ų | 128 | 126.7 Ų | 126.7 | 78% | 0.776 | 69% | 0.688 | S | S | * | * | trans | -74.2 | 78.5 | 167.4 | -174.9 | 0 | 0 | 0 | 0 | 107.1 | P63 D67 | P63-V65 VanDerWaalsContact C-N 3.25Å; P63-V65 PolarHBondContact O-N 2.85Å; V65-D67 PolarHBondContact O-N 3.41Å | ||
| 66 | L | 47.4 | Very low | 52.8 | Low | 136 Ų | 136 | 128.4 Ų | 128.4 | 71% | 0.712 | 71% | 0.705 | S | S | * | * | trans | -66 | 102.6 | 165.8 | -98.4 | 159.1 | 0 | 0 | 0 | 107.9 | I64 S68 | I64-L66 HydrophobicContact CG2-CB 4.44Å; I64-L66 HydrophobicContact CG2-CD1 3.91Å; I64-L66 HydrophobicContact CG2-CG 3.8Å; I64-L66 PolarHBondContact O-N 3.42Å; L66-S68 PolarHBondContact O-N 2.93Å | ||
| 67 | D | 44.2 | Very low | 50.2 | Low | 155 Ų | 155 | 127.3 Ų | 127.3 | 83% | 0.829 | 72% | 0.716 | S | S | * | * | trans | -60.6 | 104.9 | 170.7 | -140.5 | -9.2 | 0 | 0 | 0 | 108 | V65 | V65-D67 PolarHBondContact O-N 3.41Š| ||
| 68 | S | 40.3 | Very low | 48 | Very low | 97 Ų | 97 | 126.7 Ų | 126.7 | 68% | 0.678 | 73% | 0.727 | S | S | * | * | trans | -148.1 | 107.1 | -179.2 | -79.3 | 0 | 0 | 0 | 0 | 109.4 | L66 S70 | L66-S68 PolarHBondContact O-N 2.93Å; S68-S70 PolarHBondContact O-N 3.41Å | ||
| 69 | T | 38.4 | Very low | 46 | Very low | 137 Ų | 137 | 128.8 Ų | 128.8 | 84% | 0.84 | 75% | 0.745 | S | S | * | * | trans | -66.3 | 122.1 | -168.4 | -46.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 70 | S | 33.8 | Very low | 44.3 | Very low | 93 Ų | 93 | 128.2 Ų | 128.2 | 65% | 0.65 | 76% | 0.756 | S | S | * | * | trans | 52.8 | 114.9 | 152.5 | 177 | 0 | 0 | 0 | 0 | 119.3 | S68 | S68-S70 PolarHBondContact O-N 3.41Š| ||
| 71 | T | 32.4 | Very low | 42.1 | Very low | 146 Ų | 146 | 124.6 Ų | 124.6 | 90% | 0.896 | 76% | 0.761 | S | S | * | * | -151 | 139.7 | 118 | -3.1 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 72 | K | 38.5 | Very low | 40 | Very low | 178 Ų | 178 | 123.8 Ų | 123.8 | 77% | 0.774 | 78% | 0.775 | S | S | * | * | trans | -78.3 | 145.8 | -179.4 | -67.7 | 168.6 | 172.8 | 171.3 | 0 | 111.9 | ||||
| 73 | T | 31.6 | Very low | 38.1 | Very low | 152 Ų | 152 | 125 Ų | 125 | 93% | 0.933 | 79% | 0.787 | S | S | * | * | trans | -130.7 | 132.1 | 135.1 | 41.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 74 | T | 30.4 | Very low | 36.9 | Very low | 115 Ų | 115 | 129.3 Ų | 129.3 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | trans | -113.9 | 135 | -169.4 | -46 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 75 | T | 30.6 | Very low | 35.8 | Very low | 129 Ų | 129 | 130.3 Ų | 130.3 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | trans | 165.2 | 148.6 | 148.3 | 39.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 76 | T | 29.7 | Very low | 35 | Very low | 130 Ų | 130 | 130.1 Ų | 130.1 | 80% | 0.798 | 81% | 0.807 | S | S | * | * | cis | -171.1 | 147.7 | -20.2 | 24.4 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 77 | A | 30.6 | Very low | 34.2 | Very low | 94 Ų | 94 | 127.4 Ų | 127.4 | 78% | 0.777 | 81% | 0.812 | S | S | * | * | cis | -163.2 | 165.4 | -9.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 78 | S | 36 | Very low | 33.7 | Very low | 113 Ų | 113 | 128.7 Ų | 128.7 | 79% | 0.79 | 81% | 0.813 | S | S | * | * | trans | -80.7 | 167.1 | 172.7 | -40.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 79 | P | 42.5 | Very low | 33.3 | Very low | 125 Ų | 125 | 129.3 Ų | 129.3 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | -145.4 | 166.6 | 81.5 | 36.7 | -18.8 | 0 | 0 | 0 | 116 | |||||
| 80 | P | 44.3 | Very low | 32.9 | Very low | 128 Ų | 128 | 133.9 Ų | 133.9 | 83% | 0.831 | 81% | 0.814 | S | S | * | * | trans | -93.3 | 155.3 | 176.3 | 37 | -33 | 0 | 0 | 0 | 112.9 | ||||
| 81 | G | 28.4 | Very low | 32.9 | Very low | 82 Ų | 82 | 135.3 Ų | 135.3 | 85% | 0.845 | 82% | 0.819 | S | S | * | * | trans | -167.7 | 117.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 82 | G | 27.6 | Very low | 33 | Very low | 80 Ų | 80 | 133.1 Ų | 133.1 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | trans | -92.8 | 164.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 83 | N | 28.9 | Very low | 32.8 | Very low | 164 Ų | 164 | 133.6 Ų | 133.6 | 88% | 0.877 | 81% | 0.814 | S | S | * | * | trans | -150.1 | 155.1 | 144.1 | -139.1 | -12.5 | 0 | 0 | 0 | 112.4 | ||||
| 84 | K | 33.5 | Very low | 32.8 | Very low | 183 Ų | 183 | 131 Ų | 131 | 80% | 0.796 | 80% | 0.802 | S | S | * | * | trans | -81.5 | 154 | 179.8 | -60.3 | 163.4 | 179.9 | 173.9 | 0 | 109.9 | ||||
| 85 | N | 31.4 | Very low | 33 | Very low | 172 Ų | 172 | 135.6 Ų | 135.6 | 92% | 0.92 | 81% | 0.807 | S | S | * | * | trans | -160.9 | 118.7 | 136.2 | -97.2 | -20 | 0 | 0 | 0 | 111.2 | ||||
| 86 | S | 34.8 | Very low | 33.1 | Very low | 123 Ų | 123 | 137.9 Ų | 137.9 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | trans | -85.8 | 144.6 | 169.6 | 47.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 87 | G | 30.2 | Very low | 33.3 | Very low | 79 Ų | 79 | 136.5 Ų | 136.5 | 81% | 0.814 | 81% | 0.805 | S | S | * | * | trans | -158.8 | 45.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 88 | E | 33.2 | Very low | 33.5 | Very low | 182 Ų | 182 | 138.5 Ų | 138.5 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | trans | -51.2 | 151.4 | 155.7 | -117.5 | -178.2 | 164.7 | 0 | 0 | 109.9 | ||||
| 89 | V | 31.7 | Very low | 33.5 | Very low | 111 Ų | 111 | 139 Ų | 139 | 67% | 0.673 | 81% | 0.81 | S | S | * | * | cis | -160.8 | 153.1 | 21.9 | -165.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 90 | R | 31.8 | Very low | 33.2 | Very low | 233 Ų | 233 | 135.7 Ų | 135.7 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | 166.2 | 130.9 | 121.9 | -89.8 | 172.4 | -173.9 | -165.7 | 0.4 | 116.4 | |||||
| 91 | T | 32.7 | Very low | 32.9 | Very low | 123 Ų | 123 | 140.7 Ų | 140.7 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | -37.2 | 158.8 | 154.5 | 51.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 92 | S | 35.6 | Very low | 33.6 | Very low | 100 Ų | 100 | 144.8 Ų | 144.8 | 70% | 0.699 | 81% | 0.806 | S | S | * | * | cis | -168.3 | 157.3 | 30.9 | 1.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 93 | E | 33.4 | Very low | 34.6 | Very low | 187 Ų | 187 | 147.6 Ų | 147.6 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | 45.1 | 128.7 | 151.1 | -54.1 | -173.9 | 147.7 | 0 | 0 | 120.1 | ||||
| 94 | S | 31.3 | Very low | 35.4 | Very low | 97 Ų | 97 | 146.5 Ų | 146.5 | 68% | 0.678 | 80% | 0.8 | S | S | * | * | 177.7 | 142.2 | 59.3 | -167.6 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 95 | R | 33.9 | Very low | 36.2 | Very low | 213 Ų | 213 | 145.8 Ų | 145.8 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | 60.4 | 117.9 | 153.4 | -72.4 | 173.3 | -179.9 | -170.6 | -1.8 | 123.3 | ||||
| 96 | Q | 34.2 | Very low | 37.3 | Very low | 176 Ų | 176 | 141.8 Ų | 141.8 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | trans | 60.4 | 140.9 | 133.6 | -70.5 | 164.1 | -44.8 | 0 | 0 | 118.7 | ||||
| 97 | S | 32.3 | Very low | 38.3 | Very low | 102 Ų | 102 | 143.7 Ų | 143.7 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | cis | -168.1 | 141 | 12.4 | 30.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 98 | V | 36.7 | Very low | 39.3 | Very low | 136 Ų | 136 | 147.4 Ų | 147.4 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | trans | 64.1 | 140.8 | 147.9 | -172.7 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 99 | S | 35.8 | Very low | 40.2 | Very low | 122 Ų | 122 | 145 Ų | 145 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | trans | 70.9 | 126.9 | 170.4 | 65.1 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 100 | G | 35.3 | Very low | 41 | Very low | 57 Ų | 57 | 147.4 Ų | 147.4 | 59% | 0.588 | 79% | 0.792 | S | S | * | * | trans | -136.9 | 167.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 101 | Y | 39.1 | Very low | 42.5 | Very low | 233 Ų | 233 | 142.3 Ų | 142.3 | 91% | 0.914 | 79% | 0.787 | S | S | * | * | trans | 71.2 | 70.3 | 164.1 | -42.5 | -69.8 | 0 | 0 | 0 | 117.2 | ||||
| 102 | D | 42 | Very low | 43.4 | Very low | 168 Ų | 168 | 142.1 Ų | 142.1 | 90% | 0.898 | 79% | 0.787 | S | S | * | * | trans | -126.6 | 87.7 | 152.5 | -96.7 | -40.3 | 0 | 0 | 0 | 109.2 | ||||
| 103 | D | 48.9 | Very low | 43.5 | Very low | 138 Ų | 138 | 142.8 Ų | 142.8 | 74% | 0.738 | 79% | 0.791 | S | S | * | * | trans | -163.5 | 51 | 159.6 | -154.4 | 7.9 | 0 | 0 | 0 | 114.7 | ||||
| 104 | V | 46.3 | Very low | 44.3 | Very low | 141 Ų | 141 | 140 Ų | 140 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -142.5 | 42.8 | 174 | -155.5 | 0 | 0 | 0 | 0 | 113.5 | ||
| 105 | L | 49.7 | Very low | 44.8 | Very low | 169 Ų | 169 | 141.4 Ų | 141.4 | 89% | 0.885 | 79% | 0.793 | S | S | * | * | trans | -137.5 | 11.3 | 177.4 | -74.3 | 178.5 | 0 | 0 | 0 | 115.2 | ||||
| 106 | S | 55.4 | Low | 45.3 | Very low | 87 Ų | 87 | 139.3 Ų | 139.3 | 61% | 0.608 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -96.5 | 3 | -167.5 | 54.2 | 0 | 0 | 0 | 0 | 116.4 | ||
| 107 | Q | 54 | Low | 45.6 | Very low | 163 Ų | 163 | 135.8 Ų | 135.8 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -131.6 | 128.6 | 176.3 | -82.2 | 129.5 | 24.1 | 0 | 0 | 112.2 | ||
| 108 | N | 52.4 | Low | 45.8 | Very low | 158 Ų | 158 | 138.2 Ų | 138.2 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | trans | 104.1 | 37.4 | 177.8 | -54.2 | -31.7 | 0 | 0 | 0 | 117.9 | ||||
| 109 | V | 52.1 | Low | 46.1 | Very low | 131 Ų | 131 | 137.3 Ų | 137.3 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 117.8 | 158.2 | -177 | 0 | 0 | 0 | 0 | 109 | V111 | V109-V111 PolarHBondContact O-N 2.98Š|
| 110 | L | 48.8 | Very low | 46.3 | Very low | 162 Ų | 162 | 136.3 Ų | 136.3 | 85% | 0.848 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 129.8 | 173.3 | -93 | 81.7 | 0 | 0 | 0 | 110.6 | ||
| 111 | V | 61.9 | Low | 46.5 | Very low | 126 Ų | 126 | 141.7 Ų | 141.7 | 76% | 0.764 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 130.3 | 174 | -176.9 | 0 | 0 | 0 | 0 | 109.6 | V109 C113 | V109-V111 PolarHBondContact O-N 2.98Å; V111-C113 PolarHBondContact O-N 2.92Å |
| 112 | P | 51.6 | Low | 46.3 | Very low | 118 Ų | 118 | 136.6 Ų | 136.6 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 130.3 | 174.8 | -21.7 | 33.4 | 0 | 0 | 0 | 112.4 | ||
| 113 | C | 39.5 | Very low | 46.2 | Very low | 115 Ų | 115 | 134 Ų | 134 | 78% | 0.777 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 139.8 | 172.8 | -61.8 | 0 | 0 | 0 | 0 | 111.5 | V111 | V111-C113 PolarHBondContact O-N 2.92Š|
| 114 | P | 50.2 | Low | 45.5 | Very low | 128 Ų | 128 | 133.1 Ų | 133.1 | 83% | 0.831 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 136.4 | 173.2 | 29.9 | -33.6 | 0 | 0 | 0 | 111.3 | ||
| 115 | V | 41.1 | Very low | 44.9 | Very low | 126 Ų | 126 | 131.5 Ų | 131.5 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 116.9 | 178.5 | -178.4 | 0 | 0 | 0 | 0 | 110 | S117 | V115-S117 PolarHBondContact O-N 2.73Å; V115-S117 VanDerWaalsContact O-N 3.12Å |
| 116 | N | 45.1 | Very low | 44.4 | Very low | 169 Ų | 169 | 129.3 Ų | 129.3 | 90% | 0.904 | 78% | 0.781 | S | S | * | * | trans | -72.5 | 99.1 | 168.2 | -96.5 | -13.3 | 0 | 0 | 0 | 110 | N118 | N116-N118 PolarHBondContact O-N 2.88Š| ||
| 117 | S | 39 | Very low | 43.5 | Very low | 103 Ų | 103 | 134.9 Ų | 134.9 | 72% | 0.72 | 79% | 0.794 | S | S | * | * | trans | -85.6 | 106.1 | 174.4 | -63 | 0 | 0 | 0 | 0 | 111 | V115 | V115-S117 PolarHBondContact O-N 2.73Å; V115-S117 VanDerWaalsContact O-N 3.12Å | ||
| 118 | N | 37 | Very low | 42.7 | Very low | 152 Ų | 152 | 133 Ų | 133 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | trans | -157.2 | 101.6 | 162.9 | -143.8 | 29.7 | 0 | 0 | 0 | 113.3 | N116 | N116-N118 PolarHBondContact O-N 2.88Š| ||
| 119 | P | 43.2 | Very low | 41.9 | Very low | 118 Ų | 118 | 131 Ų | 131 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | trans | -91.4 | 115.4 | 156.9 | 31.1 | -23.3 | 0 | 0 | 0 | 109.5 | M121 | P119-M121 PolarHBondContact O-N 3.47Š| ||
| 120 | S | 40.1 | Very low | 41.1 | Very low | 100 Ų | 100 | 131 Ų | 131 | 70% | 0.699 | 80% | 0.795 | S | S | * | * | trans | -70.7 | 118.2 | 170.2 | -177.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 121 | M | 38.4 | Very low | 40.4 | Very low | 170 Ų | 170 | 128 Ų | 128 | 84% | 0.837 | 79% | 0.788 | S | S | * | * | trans | -142.4 | 143.4 | 160.8 | -92.7 | -63.3 | 103 | 0 | 0 | 111 | P119 | P119-M121 PolarHBondContact O-N 3.47Š| ||
| 122 | T | 36.3 | Very low | 39 | Very low | 127 Ų | 127 | 130.1 Ų | 130.1 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | trans | -82.9 | 156.7 | -164.4 | 42.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 123 | S | 38.8 | Very low | 38.6 | Very low | 113 Ų | 113 | 131.1 Ų | 131.1 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | -72.5 | 146.4 | -174 | 45.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 124 | S | 35.7 | Very low | 38.5 | Very low | 119 Ų | 119 | 131.2 Ų | 131.2 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | -175.6 | 139.3 | 118.2 | 42.7 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 125 | S | 32.8 | Very low | 38 | Very low | 107 Ų | 107 | 128.8 Ų | 128.8 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | 78.5 | 80 | 148.8 | -138.6 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 126 | T | 38.5 | Very low | 38.2 | Very low | 123 Ų | 123 | 130.7 Ų | 130.7 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | 44.6 | 104.6 | 128 | 63.9 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 127 | K | 36.1 | Very low | 38.3 | Very low | 204 Ų | 204 | 128.4 Ų | 128.4 | 89% | 0.887 | 79% | 0.786 | S | S | * | * | -175.4 | 156 | 96.2 | -100.5 | -179.3 | 179.6 | 178 | 0 | 111.6 | |||||
| 128 | P | 38.4 | Very low | 38.8 | Very low | 125 Ų | 125 | 129.7 Ų | 129.7 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | trans | -99.6 | 146.1 | -166.5 | 36.9 | -33.3 | 0 | 0 | 0 | 114.7 | ||||
| 129 | S | 35.2 | Very low | 39.6 | Very low | 114 Ų | 114 | 125.2 Ų | 125.2 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | trans | -156.7 | 108.9 | 155.4 | -170.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 130 | V | 35.9 | Very low | 40.2 | Very low | 132 Ų | 132 | 126 Ų | 126 | 80% | 0.8 | 76% | 0.758 | S | S | * | * | trans | 43.7 | 111 | 159.8 | -161.9 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 131 | S | 33.3 | Very low | 41.3 | Very low | 100 Ų | 100 | 127.9 Ų | 127.9 | 70% | 0.699 | 76% | 0.755 | S | S | * | * | trans | -72.4 | 135.8 | 167.2 | 53.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 132 | N | 32.8 | Very low | 42.6 | Very low | 170 Ų | 170 | 125.3 Ų | 125.3 | 91% | 0.909 | 74% | 0.741 | S | S | * | * | trans | -136.5 | 103.6 | 152.7 | -112.8 | -6.4 | 0 | 0 | 0 | 108.8 | ||||
| 133 | T | 43.9 | Very low | 43.6 | Very low | 138 Ų | 138 | 126 Ų | 126 | 85% | 0.847 | 73% | 0.734 | S | S | * | * | trans | -97 | 111.1 | 175 | 46.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 134 | S | 36.3 | Very low | 44.9 | Very low | 117 Ų | 117 | 128 Ų | 128 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | trans | -154.8 | 128 | 156.2 | -167.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 135 | A | 41 | Very low | 46.4 | Very low | 78 Ų | 78 | 126 Ų | 126 | 65% | 0.645 | 72% | 0.717 | S | S | * | * | trans | 48.3 | 106.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 118 | V137 | A135-V137 HydrophobicContact CB-CG2 4.33Å; A135-V137 PolarHBondContact O-N 3.04Å | ||
| 136 | M | 45.3 | Very low | 48 | Very low | 166 Ų | 166 | 125 Ų | 125 | 82% | 0.818 | 71% | 0.706 | S | S | * | * | trans | -60.6 | 87.6 | 150.9 | -87.4 | -179.3 | 147.8 | 0 | 0 | 109.5 | H138 | M136-H138 VanDerWaalsContact C-N 3.25Å; M136-H138 PolarHBondContact O-N 2.89Å; M136-H138 VanDerWaalsContact O-N 3.16Å | ||
| 137 | V | 46.8 | Very low | 49.4 | Very low | 120 Ų | 120 | 125.7 Ų | 125.7 | 73% | 0.727 | 71% | 0.705 | S | S | * | * | trans | -78.5 | 86.8 | 156.5 | -175.5 | 0 | 0 | 0 | 0 | 105.9 | A135 S139 | A135-V137 HydrophobicContact CB-CG2 4.33Å; A135-V137 PolarHBondContact O-N 3.04Å; V137-S139 PolarHBondContact O-N 3.36Å | ||
| 138 | H | 49.2 | Very low | 51 | Low | 131 Ų | 131 | 118.3 Ų | 118.3 | 61% | 0.606 | 68% | 0.675 | S | S | * | * | trans | -60.8 | 97.1 | 162.8 | -75.4 | -60.2 | 0 | 0 | 0 | 107.1 | M136 L140 | M136-H138 VanDerWaalsContact C-N 3.25Å; M136-H138 PolarHBondContact O-N 2.89Å; M136-H138 VanDerWaalsContact O-N 3.16Å; H138-L140 PolarHBondContact O-N 3.04Å | ||
| 139 | S | 53.3 | Low | 52.4 | Low | 58 Ų | 58 | 117.4 Ų | 117.4 | 41% | 0.406 | 67% | 0.667 | S | S | . | * | trans | -62.3 | 129.9 | 176 | -175.1 | 0 | 0 | 0 | 0 | 107.4 | V137 H141 E142 F143 | V137-S139 PolarHBondContact O-N 3.36Å; S139-H141 PolarHBondContact O-N 3.34Å; S139-H141 WeakPolarHBondContact OG-CB 3.44Å; S139-H141 PolarHBondContact OG-N 3.49Å; S139-E142 WeakPolarHBondContact O-CB 3.31Å; S139-E142 PolarHBondContact O-N 2.87Å; S139-F143 PolarHBondContact O-N 2.72Å | ||
| 140 | L | 56.2 | Low | 53.8 | Low | 133 Ų | 133 | 119.6 Ų | 119.6 | 70% | 0.696 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -50.8 | -29.7 | 170.2 | -86.9 | 161.9 | 0 | 0 | 0 | 111.4 | H138 E142 F143 E144 | H138-L140 PolarHBondContact O-N 3.04Å; L140-E142 VanDerWaalsContact C-N 3.33Å; L140-E142 PolarHBondContact O-N 3.48Å; L140-F143 PolarHBondContact O-N 2.97Å; L140-E144 WeakPolarHBondContact O-CB 3.27Å; L140-E144 WeakPolarHBondContact O-CG 3.11Å; L140-E144 PolarHBondContact O-N 3.25Å |
| 141 | H | 62 | Low | 55.3 | Low | 141 Ų | 141 | 119.1 Ų | 119.1 | 65% | 0.653 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -62.1 | -34.5 | 174.8 | -165.8 | 42 | 0 | 0 | 0 | 113.8 | S139 S145 | S139-H141 PolarHBondContact O-N 3.34Å; S139-H141 WeakPolarHBondContact OG-CB 3.44Å; S139-H141 PolarHBondContact OG-N 3.49Å; H141-S145 WeakPolarHBondContact O-CB 3.31Å; H141-S145 PolarHBondContact O-N 3.39Å; H141-S145 VanDerWaalsContact O-N 3.1Å; H141-S145 PolarHBondContact O-OG 3.32Å |
| 142 | E | 65.7 | Low | 57 | Low | 115 Ų | 115 | 119.9 Ų | 119.9 | 54% | 0.537 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -70.2 | -45.1 | 176.6 | -170.2 | 178 | -170.6 | 0 | 0 | 110.1 | S139 L140 E144 S145 T146 | S139-E142 WeakPolarHBondContact O-CB 3.31Å; S139-E142 PolarHBondContact O-N 2.87Å; L140-E142 VanDerWaalsContact C-N 3.33Å; L140-E142 PolarHBondContact O-N 3.48Å; E142-E144 VanDerWaalsContact C-N 3.33Å; E142-E144 PolarHBondContact O-N 3.25Å; E142-S145 WeakPolarHBondContact CA-OG 3.27Å; E142-S145 PolarHBondContact O-N 3.05Å; E142-S145 PolarHBondContact O-OG 3.18Å; E142-T146 PolarHBondContact O-N 3.04Å |
| 143 | F | 57.5 | Low | 58.8 | Low | 142 Ų | 142 | 116.1 Ų | 116.1 | 62% | 0.623 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -67.1 | -29.3 | 178.8 | -154.8 | -87 | 0 | 0 | 0 | 113.6 | S139 L140 | S139-F143 PolarHBondContact O-N 2.72Å; L140-F143 PolarHBondContact O-N 2.97Å |
| 144 | E | 66.6 | Low | 59.9 | Low | 154 Ų | 154 | 117.6 Ų | 117.6 | 72% | 0.72 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -12.7 | 171.4 | -71.5 | 179.1 | -173.9 | 0 | 0 | 113.4 | L140 E142 | L140-E144 WeakPolarHBondContact O-CB 3.27Å; L140-E144 WeakPolarHBondContact O-CG 3.11Å; L140-E144 PolarHBondContact O-N 3.25Å; E142-E144 VanDerWaalsContact C-N 3.33Å; E142-E144 PolarHBondContact O-N 3.25Å |
| 145 | S | 66.5 | Low | 61.3 | Low | 79 Ų | 79 | 119.3 Ų | 119.3 | 55% | 0.552 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | -17.1 | -175.7 | 70 | 0 | 0 | 0 | 0 | 114.8 | H141 E142 | H141-S145 WeakPolarHBondContact O-CB 3.31Å; H141-S145 PolarHBondContact O-N 3.39Å; H141-S145 VanDerWaalsContact O-N 3.1Å; H141-S145 PolarHBondContact O-OG 3.32Å; E142-S145 WeakPolarHBondContact CA-OG 3.27Å; E142-S145 PolarHBondContact O-N 3.05Å; E142-S145 PolarHBondContact O-OG 3.18Å |
| 146 | T | 67.3 | Low | 62.4 | Low | 84 Ų | 84 | 122.6 Ų | 122.6 | 52% | 0.515 | 63% | 0.632 | S | S | . | * | S | Bend | trans | -92.5 | 130.8 | 173 | 51.6 | 0 | 0 | 0 | 0 | 109.2 | E142 N148 | E142-T146 PolarHBondContact O-N 3.04Å; T146-N148 PolarHBondContact O-N 2.9Å |
| 147 | N | 67.8 | Low | 63.2 | Low | 139 Ų | 139 | 119.1 Ų | 119.1 | 74% | 0.743 | 63% | 0.63 | S | S | * | * | trans | -54.4 | 113.6 | 171.6 | -94.8 | 30.2 | 0 | 0 | 0 | 108.6 | ||||
| 148 | N | 70.3 | Confident | 63.7 | Low | 48 Ų | 48 | 120.6 Ų | 120.6 | 26% | 0.257 | 63% | 0.633 | S | S | . | * | trans | -80.4 | 141 | 179 | -125.7 | -50.5 | 0 | 0 | 0 | 108.2 | T146 F150 D151 | T146-N148 PolarHBondContact O-N 2.9Å; N148-F150 PolarHBondContact O-N 3.21Å; N148-D151 VanDerWaalsContact CB-OD2 3.25Å; N148-D151 WeakPolarHBondContact CB-OD2 3.16Å; N148-D151 PolarHBondContact N-OD2 3.15Å; N148-D151 VanDerWaalsContact N-OD2 3.15Å; N148-D151 WeakPolarHBondContact O-CB 3.33Å; N148-D151 PolarHBondContact O-N 3.2Å | ||
| 149 | V | 68.3 | Low | 64.5 | Low | 106 Ų | 106 | 119.2 Ų | 119.2 | 64% | 0.642 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -58.5 | -23.5 | 178 | -178.9 | 0 | 0 | 0 | 0 | 111.1 | I153 | V149-I153 WeakPolarHBondContact O-CG1 3.26Å; V149-I153 PolarHBondContact O-N 2.92Å |
| 150 | F | 63.4 | Low | 65.3 | Low | 160 Ų | 160 | 121.6 Ų | 121.6 | 70% | 0.702 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -73.3 | -21.2 | 174.5 | -61.9 | -78.1 | 0 | 0 | 0 | 115 | N148 I153 | N148-F150 PolarHBondContact O-N 3.21Å; F150-I153 HydrophobicContact CD1-CD1 4.11Å |
| 151 | D | 68.6 | Low | 65.9 | Low | 122 Ų | 122 | 124.1 Ų | 124.1 | 65% | 0.652 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -75.4 | -31.5 | 175.1 | -62.6 | -50.1 | 0 | 0 | 0 | 111.6 | N148 I153 | N148-D151 VanDerWaalsContact CB-OD2 3.25Å; N148-D151 WeakPolarHBondContact CB-OD2 3.16Å; N148-D151 PolarHBondContact N-OD2 3.15Å; N148-D151 VanDerWaalsContact N-OD2 3.15Å; N148-D151 WeakPolarHBondContact O-CB 3.33Å; N148-D151 PolarHBondContact O-N 3.2Å; D151-I153 VanDerWaalsContact C-N 3.35Å |
| 152 | D | 67.7 | Low | 66.1 | Low | 117 Ų | 117 | 124.3 Ų | 124.3 | 63% | 0.626 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -79.6 | -15.6 | 174.8 | -72.3 | -35.3 | 0 | 0 | 0 | 112.8 | Q154 | D152-Q154 PolarHBondContact O-N 3.32Å |
| 153 | I | 71.9 | Confident | 66.1 | Low | 91 Ų | 91 | 121.4 Ų | 121.4 | 47% | 0.467 | 63% | 0.634 | S | S | . | * | trans | -77 | 91.1 | 175.6 | -67.5 | 167.5 | 0 | 0 | 0 | 109.3 | V149 F150 D151 I155 | V149-I153 WeakPolarHBondContact O-CG1 3.26Å; V149-I153 PolarHBondContact O-N 2.92Å; F150-I153 HydrophobicContact CD1-CD1 4.11Å; D151-I153 VanDerWaalsContact C-N 3.35Å; I153-I155 HydrophobicContact CG2-CG1 4.2Å; I153-I155 PolarHBondContact O-N 2.74Å | ||
| 154 | Q | 66.4 | Low | 66.4 | Low | 168 Ų | 168 | 119.8 Ų | 119.8 | 79% | 0.785 | 63% | 0.631 | S | S | * | * | trans | -65.2 | 97.9 | 166.1 | -66.2 | -175 | 10.2 | 0 | 0 | 109.7 | D152 L156 | D152-Q154 PolarHBondContact O-N 3.32Å; Q154-L156 VanDerWaalsContact C-N 3.27Å; Q154-L156 PolarHBondContact O-N 3.11Å | ||
| 155 | I | 65.6 | Low | 66.4 | Low | 153 Ų | 153 | 118 Ų | 118 | 79% | 0.785 | 62% | 0.623 | S | S | * | * | trans | -67.4 | 91.1 | 169.1 | -55.1 | 178.3 | 0 | 0 | 0 | 107.8 | I153 A157 | I153-I155 HydrophobicContact CG2-CG1 4.2Å; I153-I155 PolarHBondContact O-N 2.74Å; I155-A157 PolarHBondContact O-N 3.05Å | ||
| 156 | L | 64.8 | Low | 66.3 | Low | 147 Ų | 147 | 120.3 Ų | 120.3 | 77% | 0.77 | 63% | 0.625 | S | S | * | * | trans | -62.5 | 102 | 166.9 | -74.9 | 167.1 | 0 | 0 | 0 | 107.9 | Q154 L158 | Q154-L156 VanDerWaalsContact C-N 3.27Å; Q154-L156 PolarHBondContact O-N 3.11Å; L156-L158 PolarHBondContact O-N 3.07Å | ||
| 157 | A | 61.4 | Low | 66 | Low | 93 Ų | 93 | 123 Ų | 123 | 77% | 0.769 | 63% | 0.631 | S | S | * | * | trans | -58.7 | 114.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | I155 D159 | I155-A157 PolarHBondContact O-N 3.05Å; A157-D159 PolarHBondContact O-N 3.43Å; A157-D159 VanDerWaalsContact O-N 3.12Å | ||
| 158 | L | 58 | Low | 65.5 | Low | 151 Ų | 151 | 123.6 Ų | 123.6 | 79% | 0.791 | 63% | 0.63 | S | S | * | * | trans | -61.5 | 114.9 | 169.7 | -72.9 | 167.4 | 0 | 0 | 0 | 107.4 | L156 D160 | L156-L158 PolarHBondContact O-N 3.07Å; L158-D160 PolarHBondContact O-N 2.98Å | ||
| 159 | D | 65.3 | Low | 64.8 | Low | 102 Ų | 102 | 129.7 Ų | 129.7 | 55% | 0.545 | 65% | 0.654 | S | S | . | * | trans | -74.9 | 82.8 | 170.2 | -178.7 | 17.3 | 0 | 0 | 0 | 107.9 | A157 R161 K162 A163 | A157-D159 PolarHBondContact O-N 3.43Å; A157-D159 VanDerWaalsContact O-N 3.12Å; D159-R161 PolarHBondContact O-N 3.37Å; D159-R161 WeakPolarHBondContact OD1-CB 3.33Å; D159-R161 PolarHBondContact OD1-N 3.24Å; D159-K162 HydrophobicContact CB-CB 4.39Å; D159-K162 WeakPolarHBondContact O-CB 3.24Å; D159-K162 PolarHBondContact O-N 3.2Å; D159-A163 PolarHBondContact O-N 3.25Å | ||
| 160 | D | 69.8 | Low | 63.9 | Low | 108 Ų | 108 | 132.3 Ų | 132.3 | 58% | 0.578 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -50.5 | -29.1 | 179.6 | -67.3 | -27.5 | 0 | 0 | 0 | 111.8 | L158 K162 A163 L164 | L158-D160 PolarHBondContact O-N 2.98Å; D160-K162 VanDerWaalsContact C-N 3.25Å; D160-K162 PolarHBondContact O-N 3.1Å; D160-A163 PolarHBondContact O-N 3.18Å; D160-L164 WeakPolarHBondContact O-CB 3.43Å; D160-L164 VanDerWaalsContact O-CG 3.24Å; D160-L164 WeakPolarHBondContact O-CG 3.38Å; D160-L164 PolarHBondContact O-N 3.18Å |
| 161 | R | 69.8 | Low | 63.2 | Low | 187 Ų | 187 | 132.8 Ų | 132.8 | 71% | 0.706 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -61.5 | -32.7 | 176.1 | -161.5 | 179.6 | -175.1 | 168.1 | 3.9 | 112.7 | D159 Q165 | D159-R161 PolarHBondContact O-N 3.37Å; D159-R161 WeakPolarHBondContact OD1-CB 3.33Å; D159-R161 PolarHBondContact OD1-N 3.24Å; R161-Q165 WeakPolarHBondContact O-CG 3.33Å; R161-Q165 PolarHBondContact O-N 3.45Å; R161-Q165 VanDerWaalsContact O-N 3.14Å |
| 162 | K | 65.8 | Low | 61.8 | Low | 144 Ų | 144 | 134.6 Ų | 134.6 | 63% | 0.626 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -79.3 | -40.3 | 178 | -157.9 | -174.2 | -179.3 | -163.6 | 0 | 111.4 | D159 D160 Q165 E166 | D159-K162 HydrophobicContact CB-CB 4.39Å; D159-K162 WeakPolarHBondContact O-CB 3.24Å; D159-K162 PolarHBondContact O-N 3.2Å; D160-K162 VanDerWaalsContact C-N 3.25Å; D160-K162 PolarHBondContact O-N 3.1Å; K162-Q165 PolarHBondContact O-N 3.25Å; K162-E166 PolarHBondContact O-N 2.97Å |
| 163 | A | 66.1 | Low | 60.6 | Low | 55 Ų | 55 | 134.5 Ų | 134.5 | 46% | 0.455 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -62.1 | -42.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | D159 D160 E166 Q167 | D159-A163 PolarHBondContact O-N 3.25Å; D160-A163 PolarHBondContact O-N 3.18Å; A163-E166 PolarHBondContact O-N 2.93Å; A163-Q167 PolarHBondContact O-N 3.09Å |
| 164 | L | 63.3 | Low | 59.1 | Low | 108 Ų | 108 | 137.3 Ų | 137.3 | 57% | 0.565 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -63.5 | -39.2 | 174.2 | -73.1 | 167.2 | 0 | 0 | 0 | 112.4 | D160 E166 Q167 Q168 | D160-L164 WeakPolarHBondContact O-CB 3.43Å; D160-L164 VanDerWaalsContact O-CG 3.24Å; D160-L164 WeakPolarHBondContact O-CG 3.38Å; D160-L164 PolarHBondContact O-N 3.18Å; L164-E166 VanDerWaalsContact C-N 3.33Å; L164-E166 PolarHBondContact O-N 2.99Å; L164-Q167 PolarHBondContact O-N 3.25Å; L164-Q168 WeakPolarHBondContact O-CB 3.3Å; L164-Q168 PolarHBondContact O-N 2.88Å |
| 165 | Q | 66.4 | Low | 57.6 | Low | 117 Ų | 117 | 136.7 Ų | 136.7 | 55% | 0.547 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -67 | -31.1 | 173.6 | -81.7 | -174.3 | -3.4 | 0 | 0 | 113.5 | R161 K162 Q168 K169 | R161-Q165 WeakPolarHBondContact O-CG 3.33Å; R161-Q165 PolarHBondContact O-N 3.45Å; R161-Q165 VanDerWaalsContact O-N 3.14Å; K162-Q165 PolarHBondContact O-N 3.25Å; Q165-Q168 PolarHBondContact O-N 2.94Å; Q165-K169 PolarHBondContact O-N 2.84Å; Q165-K169 VanDerWaalsContact O-N 3.14Å |
| 166 | E | 64.3 | Low | 56.2 | Low | 127 Ų | 127 | 135.4 Ų | 135.4 | 59% | 0.593 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -73 | -40.9 | 176.2 | -169.9 | 153.6 | -154.5 | 0 | 0 | 111.4 | K162 A163 L164 Q168 K169 Q170 | K162-E166 PolarHBondContact O-N 2.97Å; A163-E166 PolarHBondContact O-N 2.93Å; L164-E166 VanDerWaalsContact C-N 3.33Å; L164-E166 PolarHBondContact O-N 2.99Å; E166-Q168 VanDerWaalsContact C-N 3.32Å; E166-Q168 PolarHBondContact O-N 3.43Å; E166-K169 PolarHBondContact O-N 3.45Å; E166-K169 VanDerWaalsContact O-N 3.17Å; E166-Q170 PolarHBondContact O-N 3.38Å |
| 167 | Q | 60.8 | Low | 54.8 | Low | 140 Ų | 140 | 136.1 Ų | 136.1 | 65% | 0.654 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -61.9 | -38.1 | 169.5 | -71.5 | -165.7 | -21.4 | 0 | 0 | 112.5 | A163 L164 K169 Q170 | A163-Q167 PolarHBondContact O-N 3.09Å; L164-Q167 PolarHBondContact O-N 3.25Å; Q167-K169 VanDerWaalsContact C-N 3.27Å; Q167-K169 PolarHBondContact O-N 3.15Å; Q167-Q170 PolarHBondContact O-N 2.77Å |
| 168 | Q | 56.9 | Low | 53.7 | Low | 152 Ų | 152 | 138.6 Ų | 138.6 | 71% | 0.71 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -65.9 | -28.2 | 175.5 | -130.2 | 175.1 | 3.6 | 0 | 0 | 113.1 | L164 Q165 E166 | L164-Q168 WeakPolarHBondContact O-CB 3.3Å; L164-Q168 PolarHBondContact O-N 2.88Å; Q165-Q168 PolarHBondContact O-N 2.94Å; E166-Q168 VanDerWaalsContact C-N 3.32Å; E166-Q168 PolarHBondContact O-N 3.43Å |
| 169 | K | 55.7 | Low | 52.5 | Low | 175 Ų | 175 | 138.6 Ų | 138.6 | 76% | 0.761 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -79.7 | -20.1 | 176.5 | -86.7 | -176 | 171.2 | -174.5 | 0 | 114.7 | Q165 E166 Q167 H171 | Q165-K169 PolarHBondContact O-N 2.84Å; Q165-K169 VanDerWaalsContact O-N 3.14Å; E166-K169 PolarHBondContact O-N 3.45Å; E166-K169 VanDerWaalsContact O-N 3.17Å; Q167-K169 VanDerWaalsContact C-N 3.27Å; Q167-K169 PolarHBondContact O-N 3.15Å; K169-H171 PolarHBondContact O-N 3.28Å |
| 170 | Q | 50.1 | Low | 51.3 | Low | 161 Ų | 161 | 139.1 Ų | 139.1 | 75% | 0.752 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | -0.8 | 177.5 | -72 | -169.3 | -6.5 | 0 | 0 | 113.7 | E166 Q167 | E166-Q170 PolarHBondContact O-N 3.38Å; Q167-Q170 PolarHBondContact O-N 2.77Å |
| 171 | H | 48.2 | Very low | 49.7 | Very low | 171 Ų | 171 | 141.1 Ų | 141.1 | 79% | 0.792 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121 | 10.9 | -175 | -123.3 | -68.8 | 0 | 0 | 0 | 115.8 | K169 | K169-H171 PolarHBondContact O-N 3.28Š|
| 172 | E | 40.3 | Very low | 48 | Very low | 160 Ų | 160 | 139.9 Ų | 139.9 | 75% | 0.748 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 122.1 | 171.8 | -79.1 | -89.1 | 117.6 | 0 | 0 | 110.7 | ||
| 173 | P | 41.3 | Very low | 46.5 | Very low | 115 Ų | 115 | 142.5 Ų | 142.5 | 75% | 0.747 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 134.9 | 173.1 | 28.6 | -32.6 | 0 | 0 | 0 | 111 | N175 | P173-N175 PolarHBondContact O-N 3.27Š|
| 174 | I | 40.5 | Very low | 45.5 | Very low | 149 Ų | 149 | 145.4 Ų | 145.4 | 76% | 0.764 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 122.3 | -178.5 | -61.4 | 161.8 | 0 | 0 | 0 | 110.7 | ||
| 175 | N | 34.5 | Very low | 44.3 | Very low | 155 Ų | 155 | 150.5 Ų | 150.5 | 83% | 0.829 | 75% | 0.751 | S | S | * | * | trans | -124.6 | 106.5 | 157.8 | -164.8 | 4.1 | 0 | 0 | 0 | 109.7 | P173 | P173-N175 PolarHBondContact O-N 3.27Š| ||
| 176 | N | 36.9 | Very low | 43.2 | Very low | 127 Ų | 127 | 153.9 Ų | 153.9 | 68% | 0.679 | 76% | 0.764 | S | S | * | * | trans | -75.1 | 130.2 | 179.5 | -76 | -29 | 0 | 0 | 0 | 110.5 | ||||
| 177 | N | 34.8 | Very low | 42.2 | Very low | 162 Ų | 162 | 156.4 Ų | 156.4 | 87% | 0.866 | 78% | 0.78 | S | S | * | * | trans | -152.1 | 131.8 | 140.1 | -101.8 | -36.5 | 0 | 0 | 0 | 111.1 | ||||
| 178 | N | 38.5 | Very low | 41.2 | Very low | 145 Ų | 145 | 158.5 Ų | 158.5 | 78% | 0.775 | 79% | 0.79 | S | S | * | * | trans | -78.6 | 146.1 | -178.6 | -63.5 | -45.4 | 0 | 0 | 0 | 110.8 | ||||
| 179 | N | 34 | Very low | 40.4 | Very low | 150 Ų | 150 | 160 Ų | 160 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | -170.3 | 132.1 | 118.3 | -90.3 | -17.9 | 0 | 0 | 0 | 113 | |||||
| 180 | T | 39.9 | Very low | 39.6 | Very low | 114 Ų | 114 | 155.5 Ų | 155.5 | 70% | 0.699 | 79% | 0.789 | S | S | * | * | trans | -18.7 | 150.3 | 142.2 | 39.6 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 181 | E | 35 | Very low | 39.3 | Very low | 150 Ų | 150 | 153.9 Ų | 153.9 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | cis | -164.7 | 176.4 | -2.5 | -139.2 | -178.1 | 123.7 | 0 | 0 | 110.4 | ||||
| 182 | M | 33.8 | Very low | 39.1 | Very low | 161 Ų | 161 | 154.2 Ų | 154.2 | 79% | 0.793 | 78% | 0.781 | S | S | * | * | trans | 64.5 | 103.7 | 154.3 | -63.6 | -89.3 | -160.2 | 0 | 0 | 120.5 | ||||
| 183 | K | 36 | Very low | 39.3 | Very low | 199 Ų | 199 | 151.5 Ų | 151.5 | 87% | 0.865 | 78% | 0.775 | S | S | * | * | trans | -58.4 | 172.4 | 146.8 | -94.3 | 176.6 | -177.9 | 166.1 | 0 | 111.7 | ||||
| 184 | P | 43.4 | Very low | 39.6 | Very low | 116 Ų | 116 | 148.6 Ų | 148.6 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | cis | -136.8 | 141.4 | 15.2 | 32.3 | -10.9 | 0 | 0 | 0 | 117.5 | ||||
| 185 | K | 39.7 | Very low | 40 | Very low | 215 Ų | 215 | 146.7 Ų | 146.7 | 94% | 0.935 | 75% | 0.747 | S | S | * | * | trans | -120.6 | 95.8 | 148.3 | -82.5 | -175.2 | 176.2 | 178.1 | 0 | 109.5 | ||||
| 186 | K | 42.5 | Very low | 41 | Very low | 188 Ų | 188 | 144.2 Ų | 144.2 | 82% | 0.817 | 73% | 0.734 | S | S | * | * | trans | -160 | 75.1 | 169.6 | -138.7 | -177.3 | -174.1 | -170.8 | 0 | 114 | ||||
| 187 | L | 43.9 | Very low | 42.2 | Very low | 179 Ų | 179 | 140.9 Ų | 140.9 | 94% | 0.937 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -146.1 | 70.3 | 168.7 | -106.5 | 161.6 | 0 | 0 | 0 | 109.2 | ||
| 188 | E | 40.3 | Very low | 43.6 | Very low | 185 Ų | 185 | 136.5 Ų | 136.5 | 86% | 0.864 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -171.7 | -31.5 | 168.3 | -123 | -167.3 | 132.6 | 0 | 0 | 112.6 | A190 | E188-A190 VanDerWaalsContact C-N 3.29Å; E188-A190 PolarHBondContact O-N 3.32Å |
| 189 | K | 38.6 | Very low | 45.2 | Very low | 184 Ų | 184 | 135.9 Ų | 135.9 | 80% | 0.8 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | 28.8 | -170.7 | -146.4 | 175 | -174.6 | 177.9 | 0 | 115.1 | ||
| 190 | A | 40.1 | Very low | 47.2 | Very low | 79 Ų | 79 | 135.2 Ų | 135.2 | 65% | 0.653 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.4 | -26.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | E188 | E188-A190 VanDerWaalsContact C-N 3.29Å; E188-A190 PolarHBondContact O-N 3.32Å |
| 191 | E | 43.3 | Very low | 49 | Very low | 128 Ų | 128 | 136.2 Ų | 136.2 | 60% | 0.598 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -85.8 | -16.6 | -170.3 | -145 | -160.1 | 130.2 | 0 | 0 | 114.4 | K195 | E191-K195 WeakPolarHBondContact O-CD 3.34Å; E191-K195 WeakPolarHBondContact O-CG 3.27Å; E191-K195 VanDerWaalsContact OE1-CE 3.32Å; E191-K195 WeakPolarHBondContact OE1-CE 3.46Å; E191-K195 IonicContact OE1-NZ 2.61Å; E191-K195 PolarHBondContact OE1-NZ 2.78Å |
| 192 | K | 44 | Very low | 51.2 | Low | 177 Ų | 177 | 133.2 Ų | 133.2 | 77% | 0.77 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -88.5 | -24.1 | -179.1 | -76.6 | -178.7 | 175.5 | 173.6 | 0 | 114.1 | ||
| 193 | T | 43.9 | Very low | 53.6 | Low | 103 Ų | 103 | 130.3 Ų | 130.3 | 63% | 0.632 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -79.5 | -37.1 | 179.2 | 12.2 | 0 | 0 | 0 | 0 | 112.8 | K195 N196 | T193-K195 VanDerWaalsContact C-N 3.34Å; T193-K195 PolarHBondContact O-N 3.04Å; T193-N196 PolarHBondContact O-N 3.04Å |
| 194 | A | 47.4 | Very low | 55.9 | Low | 54 Ų | 54 | 127 Ų | 127 | 45% | 0.446 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -68.6 | -29.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | N196 S197 D198 | A194-N196 VanDerWaalsContact C-N 3.34Å; A194-N196 PolarHBondContact O-N 3.16Å; A194-S197 PolarHBondContact O-OG 3.1Å; A194-D198 PolarHBondContact O-N 3.06Å |
| 195 | K | 50 | Low | 57.9 | Low | 109 Ų | 109 | 123.6 Ų | 123.6 | 47% | 0.474 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -68.7 | -32.7 | 178.8 | -69.3 | 176.2 | -173.6 | 176.5 | 0 | 112.4 | E191 T193 Q199 | E191-K195 WeakPolarHBondContact O-CD 3.34Å; E191-K195 WeakPolarHBondContact O-CG 3.27Å; E191-K195 VanDerWaalsContact OE1-CE 3.32Å; E191-K195 WeakPolarHBondContact OE1-CE 3.46Å; E191-K195 IonicContact OE1-NZ 2.61Å; E191-K195 PolarHBondContact OE1-NZ 2.78Å; T193-K195 VanDerWaalsContact C-N 3.34Å; T193-K195 PolarHBondContact O-N 3.04Å; K195-Q199 WeakPolarHBondContact O-CB 3.38Å; K195-Q199 VanDerWaalsContact O-CG 3.25Å; K195-Q199 WeakPolarHBondContact O-CG 3.29Å; K195-Q199 PolarHBondContact O-N 3.31Å |
| 196 | N | 55.4 | Low | 60.2 | Low | 104 Ų | 104 | 118 Ų | 118 | 56% | 0.556 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -72 | -41.5 | 176.5 | -76.5 | 8.6 | 0 | 0 | 0 | 112.2 | T193 A194 Q199 Q200 | T193-N196 PolarHBondContact O-N 3.04Å; A194-N196 VanDerWaalsContact C-N 3.34Å; A194-N196 PolarHBondContact O-N 3.16Å; N196-Q199 PolarHBondContact O-N 3.14Å; N196-Q200 VanDerWaalsContact O-CB 3.24Å; N196-Q200 WeakPolarHBondContact O-CB 3.46Å; N196-Q200 PolarHBondContact O-N 3.17Å |
| 197 | S | 60.9 | Low | 62.4 | Low | 57 Ų | 57 | 114.7 Ų | 114.7 | 40% | 0.399 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64.5 | -42.7 | 178 | 50.2 | 0 | 0 | 0 | 0 | 112.3 | A194 Q200 Q201 | A194-S197 PolarHBondContact O-OG 3.1Å; S197-Q200 PolarHBondContact O-N 2.94Å; S197-Q201 WeakPolarHBondContact O-CG 3.43Å; S197-Q201 PolarHBondContact O-N 3.2Å |
| 198 | D | 65.1 | Low | 64.6 | Low | 70 Ų | 70 | 114.1 Ų | 114.1 | 37% | 0.374 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62 | -43.7 | 176.3 | -83.8 | 24 | 0 | 0 | 0 | 111.9 | A194 H202 K228 | A194-D198 PolarHBondContact O-N 3.06Å; D198-H202 VanDerWaalsContact O-CB 3.26Å; D198-H202 WeakPolarHBondContact O-CB 3.2Å; D198-H202 PolarHBondContact O-N 3.41Å; D198-K228 IonicContact OD2-NZ 3.07Å; D198-K228 PolarHBondContact OD2-NZ 3.41Å |
| 199 | Q | 72.1 | Confident | 66.9 | Low | 131 Ų | 131 | 105.3 Ų | 105.3 | 61% | 0.612 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66 | -40.2 | 177.1 | -75.8 | 175 | -8.7 | 0 | 0 | 111.8 | K195 N196 H202 E203 | K195-Q199 WeakPolarHBondContact O-CB 3.38Å; K195-Q199 VanDerWaalsContact O-CG 3.25Å; K195-Q199 WeakPolarHBondContact O-CG 3.29Å; K195-Q199 PolarHBondContact O-N 3.31Å; N196-Q199 PolarHBondContact O-N 3.14Å; Q199-H202 PolarHBondContact O-N 3.25Å; Q199-E203 WeakPolarHBondContact O-CB 3.32Å; Q199-E203 PolarHBondContact O-N 2.93Å |
| 200 | Q | 75.1 | Confident | 69.3 | Low | 137 Ų | 137 | 99.8 Ų | 99.8 | 64% | 0.64 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.8 | -43.2 | 179.2 | -169.4 | 168.6 | -2.5 | 0 | 0 | 111.7 | N196 S197 H202 E203 E204 | N196-Q200 VanDerWaalsContact O-CB 3.24Å; N196-Q200 WeakPolarHBondContact O-CB 3.46Å; N196-Q200 PolarHBondContact O-N 3.17Å; S197-Q200 PolarHBondContact O-N 2.94Å; Q200-H202 VanDerWaalsContact C-N 3.34Å; Q200-H202 PolarHBondContact O-N 3.39Å; Q200-E203 PolarHBondContact O-N 2.93Å; Q200-E204 WeakPolarHBondContact O-CB 3.48Å; Q200-E204 PolarHBondContact O-N 2.65Å |
| 201 | Q | 77.7 | Confident | 71.7 | Confident | 135 Ų | 135 | 102.1 Ų | 102.1 | 63% | 0.631 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.4 | -36.8 | 172.5 | -73.7 | -170.8 | -9.2 | 0 | 0 | 112.5 | S197 E204 L205 | S197-Q201 WeakPolarHBondContact O-CG 3.43Å; S197-Q201 PolarHBondContact O-N 3.2Å; Q201-E204 PolarHBondContact O-N 2.93Å; Q201-L205 VanDerWaalsContact O-CB 3.26Å; Q201-L205 WeakPolarHBondContact O-CB 3.1Å; Q201-L205 PolarHBondContact O-N 3.4Å |
| 202 | H | 81.5 | Confident | 73.7 | Confident | 86 Ų | 86 | 101 Ų | 101 | 40% | 0.398 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.2 | -38 | 176.9 | -167.6 | -96.9 | 0 | 0 | 0 | 112 | D198 Q199 Q200 R206 L223 | D198-H202 VanDerWaalsContact O-CB 3.26Å; D198-H202 WeakPolarHBondContact O-CB 3.2Å; D198-H202 PolarHBondContact O-N 3.41Å; Q199-H202 PolarHBondContact O-N 3.25Å; Q200-H202 VanDerWaalsContact C-N 3.34Å; Q200-H202 PolarHBondContact O-N 3.39Å; H202-R206 WeakPolarHBondContact O-CB 3.17Å; H202-R206 PolarHBondContact O-N 3.26Å; H202-L223 WeakPolarHBondContact CE1-CB 3.31Å; H202-L223 WeakPolarHBondContact NE2-CA 3.26Å; H202-L223 WeakPolarHBondContact NE2-CB 3.33Å; H202-L223 PolarHBondContact NE2-O 3.06Å |
| 203 | E | 84 | Confident | 75.7 | Confident | 100 Ų | 100 | 95.6 Ų | 95.6 | 47% | 0.467 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -71.6 | -38 | 174.1 | -162.4 | -169.9 | 139 | 0 | 0 | 112.4 | Q199 Q200 R206 K207 | Q199-E203 WeakPolarHBondContact O-CB 3.32Å; Q199-E203 PolarHBondContact O-N 2.93Å; Q200-E203 PolarHBondContact O-N 2.93Å; E203-R206 WeakPolarHBondContact O-CB 3.08Å; E203-R206 PolarHBondContact O-N 3.35Å; E203-K207 WeakPolarHBondContact O-CG 3.26Å; E203-K207 PolarHBondContact O-N 3.03Å; E203-K207 WeakPolarHBondContact OE1-CE 3.43Å; E203-K207 IonicContact OE1-NZ 2.93Å; E203-K207 PolarHBondContact OE1-NZ 3.46Å |
| 204 | E | 85.4 | Confident | 77.9 | Confident | 131 Ų | 131 | 93 Ų | 93 | 61% | 0.612 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -64.6 | -43.7 | 173.7 | -172.5 | 175.6 | -179.6 | 0 | 0 | 111.4 | Q200 Q201 R206 K207 R208 | Q200-E204 WeakPolarHBondContact O-CB 3.48Å; Q200-E204 PolarHBondContact O-N 2.65Å; Q201-E204 PolarHBondContact O-N 2.93Å; E204-R206 VanDerWaalsContact C-N 3.35Å; E204-R206 PolarHBondContact O-N 2.69Å; E204-K207 PolarHBondContact O-N 2.96Å; E204-R208 WeakPolarHBondContact O-CB 3.17Å; E204-R208 PolarHBondContact O-N 2.92Å |
| 205 | L | 85.6 | Confident | 79.8 | Confident | 44 Ų | 44 | 95.9 Ų | 95.9 | 23% | 0.23 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -59.6 | -43.9 | 171.6 | -178.6 | 60.5 | 0 | 0 | 0 | 111.2 | Q201 K207 R208 L209 L223 L231 I234 | Q201-L205 VanDerWaalsContact O-CB 3.26Å; Q201-L205 WeakPolarHBondContact O-CB 3.1Å; Q201-L205 PolarHBondContact O-N 3.4Å; L205-K207 PolarHBondContact O-N 3.34Å; L205-R208 PolarHBondContact O-N 2.65Å; L205-L209 HydrophobicContact CD1-CD1 4.23Å; L205-L209 HydrophobicContact CD1-CG 4.29Å; L205-L209 HydrophobicContact CG-CD1 4.08Å; L205-L209 VanDerWaalsContact O-CG 3.24Å; L205-L209 WeakPolarHBondContact O-CG 3.22Å; L205-L209 PolarHBondContact O-N 3.09Å; L205-L223 HydrophobicContact CD2-CD2 3.9Å; L205-L223 HydrophobicContact CG-CD2 4.26Å; L205-L231 HydrophobicContact CD2-CB 4.48Å; L205-I234 HydrophobicContact CD1-CG2 4.36Å; L205-I234 HydrophobicContact CD2-CG2 4.35Å |
| 206 | R | 88.3 | Confident | 81.5 | Confident | 97 Ų | 97 | 93.2 Ų | 93.2 | 37% | 0.366 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -56.8 | -49.4 | 173.7 | -172.8 | -175.2 | -174.5 | 171.6 | 9.1 | 111.5 | H202 E203 E204 L209 L210 V219 E220 L223 | H202-R206 WeakPolarHBondContact O-CB 3.17Å; H202-R206 PolarHBondContact O-N 3.26Å; E203-R206 WeakPolarHBondContact O-CB 3.08Å; E203-R206 PolarHBondContact O-N 3.35Å; E204-R206 VanDerWaalsContact C-N 3.35Å; E204-R206 PolarHBondContact O-N 2.69Å; R206-L209 PolarHBondContact O-N 3.08Å; R206-L210 HydrophobicContact CG-CD1 4.13Å; R206-L210 WeakPolarHBondContact O-CG 3.35Å; R206-L210 PolarHBondContact O-N 2.7Å; R206-V219 HydrophobicContact CG-CG1 3.97Å; R206-E220 IonicContact CZ-OE2 2.65Å; R206-E220 IonicContact NH2-OE2 3.54Å; R206-E220 PolarHBondContact NH2-OE2 3.02Å; R206-L223 HydrophobicContact CB-CD1 3.64Å; R206-L223 HydrophobicContact CG-CD1 3.86Å |
| 207 | K | 88.3 | Confident | 82.9 | Confident | 118 Ų | 118 | 91 Ų | 91 | 51% | 0.513 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -59.5 | -48.5 | 177.8 | -73.8 | 170.6 | -174.4 | 165.9 | 0 | 110.8 | E203 E204 L205 L209 L210 T211 | E203-K207 WeakPolarHBondContact O-CG 3.26Å; E203-K207 PolarHBondContact O-N 3.03Å; E203-K207 WeakPolarHBondContact OE1-CE 3.43Å; E203-K207 IonicContact OE1-NZ 2.93Å; E203-K207 PolarHBondContact OE1-NZ 3.46Å; E204-K207 PolarHBondContact O-N 2.96Å; L205-K207 PolarHBondContact O-N 3.34Å; K207-L209 VanDerWaalsContact C-N 3.33Å; K207-L209 PolarHBondContact O-N 3.32Å; K207-L210 PolarHBondContact O-N 3.06Å; K207-T211 PolarHBondContact O-N 3.34Å; K207-T211 PolarHBondContact O-OG1 3.09Å; K207-T211 VanDerWaalsContact O-OG1 3.04Å |
| 208 | R | 89.1 | Confident | 84.1 | Confident | 168 Ų | 168 | 88.6 Ų | 88.6 | 63% | 0.634 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -58.1 | -41.2 | 178.5 | -166.3 | 176.4 | -167.6 | 176.6 | 3.5 | 112.9 | E204 L205 K212 | E204-R208 WeakPolarHBondContact O-CB 3.17Å; E204-R208 PolarHBondContact O-N 2.92Å; L205-R208 PolarHBondContact O-N 2.65Å; R208-K212 WeakPolarHBondContact O-CG 3.39Å; R208-K212 PolarHBondContact O-N 3.21Å; R208-K212 VanDerWaalsContact O-N 3.09Å |
| 209 | L | 89.1 | Confident | 85.2 | Confident | 0 Ų | 0 | 85.3 Ų | 85.3 | 0% | 0 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -68.9 | -39.3 | 177.4 | -67.8 | 169.1 | 0 | 0 | 0 | 112.3 | L205 R206 K207 K212 Y214 V219 I234 E235 M238 | L205-L209 HydrophobicContact CD1-CD1 4.23Å; L205-L209 HydrophobicContact CD1-CG 4.29Å; L205-L209 HydrophobicContact CG-CD1 4.08Å; L205-L209 VanDerWaalsContact O-CG 3.24Å; L205-L209 WeakPolarHBondContact O-CG 3.22Å; L205-L209 PolarHBondContact O-N 3.09Å; R206-L209 PolarHBondContact O-N 3.08Å; K207-L209 VanDerWaalsContact C-N 3.33Å; K207-L209 PolarHBondContact O-N 3.32Å; L209-K212 PolarHBondContact O-N 3.37Å; L209-Y214 HydrophobicContact CB-CD2 4.37Å; L209-Y214 HydrophobicContact CD2-CD2 4.03Å; L209-Y214 HydrophobicContact CD2-CE2 4.06Å; L209-Y214 WeakPolarHBondContact O-CD2 3.21Å; L209-Y214 PolarHBondContact O-N 2.93Å; L209-V219 HydrophobicContact CB-CG1 4.11Å; L209-V219 HydrophobicContact CB-CG2 3.84Å; L209-V219 HydrophobicContact CD1-CG1 4.12Å; L209-I234 HydrophobicContact CD1-CD1 4.09Å; L209-I234 HydrophobicContact CD1-CG2 4.09Å; L209-I234 HydrophobicContact CD2-CG2 4.38Å; L209-E235 HydrophobicContact CD2-CG 3.49Å; L209-E235 VanDerWaalsContact CD2-CG 3.49Å; L209-M238 HydrophobicContact CB-CE 4.48Å; L209-M238 HydrophobicContact CD1-SD 3.96Å; L209-M238 HydrophobicContact CD2-CE 4.14Å; L209-M238 HydrophobicContact CD2-SD 4.09Å |
| 210 | L | 89.4 | Confident | 86 | Confident | 68 Ų | 68 | 83.4 Ų | 83.4 | 36% | 0.356 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -66.7 | -43.3 | 175.2 | -68.2 | 171 | 0 | 0 | 0 | 111.6 | R206 K207 K212 G213 A216 V219 | R206-L210 HydrophobicContact CG-CD1 4.13Å; R206-L210 WeakPolarHBondContact O-CG 3.35Å; R206-L210 PolarHBondContact O-N 2.7Å; K207-L210 PolarHBondContact O-N 3.06Å; L210-K212 PolarHBondContact O-N 3.12Å; L210-G213 PolarHBondContact O-N 3.05Å; L210-A216 HydrophobicContact CD2-CB 3.78Å; L210-V219 HydrophobicContact CD2-CG2 4.33Å |
| 211 | T | 89.1 | Confident | 86.5 | Confident | 127 Ų | 127 | 80 Ų | 80 | 78% | 0.779 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -62.4 | -30.7 | 175.3 | -53.6 | 0 | 0 | 0 | 0 | 112.5 | K207 G213 | K207-T211 PolarHBondContact O-N 3.34Å; K207-T211 PolarHBondContact O-OG1 3.09Å; K207-T211 VanDerWaalsContact O-OG1 3.04Å; T211-G213 PolarHBondContact O-N 2.98Å |
| 212 | K | 86.9 | Confident | 87 | Confident | 106 Ų | 106 | 73.6 Ų | 73.6 | 46% | 0.461 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -0.4 | 170.7 | -80.5 | -177.5 | 168.5 | -173.8 | 0 | 114.4 | R208 L209 L210 Y214 E235 | R208-K212 WeakPolarHBondContact O-CG 3.39Å; R208-K212 PolarHBondContact O-N 3.21Å; R208-K212 VanDerWaalsContact O-N 3.09Å; L209-K212 PolarHBondContact O-N 3.37Å; L210-K212 PolarHBondContact O-N 3.12Å; K212-Y214 HydrophobicContact CB-CD2 3.86Å; K212-Y214 HydrophobicContact CB-CE2 3.96Å; K212-Y214 HydrophobicContact CD-CE2 4.17Å; K212-E235 IonicContact NZ-OE1 3.17Å; K212-E235 PolarHBondContact NZ-OE1 2.88Å; K212-E235 IonicContact NZ-OE2 2.7Å; K212-E235 PolarHBondContact NZ-OE2 2.73Å |
| 213 | G | 86.3 | Confident | 87.2 | Confident | 62 Ų | 62 | 69.7 Ų | 69.7 | 64% | 0.639 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.7 | 19.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | L210 T211 | L210-G213 PolarHBondContact O-N 3.05Å; T211-G213 PolarHBondContact O-N 2.98Å |
| 214 | Y | 88.5 | Confident | 87.3 | Confident | 49 Ų | 49 | 74.9 Ų | 74.9 | 19% | 0.192 | 36% | 0.358 | C | S | . | . | trans | -76.4 | 144.2 | 169.7 | -67.2 | -74 | 0 | 0 | 0 | 111 | L209 K212 E235 M238 | L209-Y214 HydrophobicContact CB-CD2 4.37Å; L209-Y214 HydrophobicContact CD2-CD2 4.03Å; L209-Y214 HydrophobicContact CD2-CE2 4.06Å; L209-Y214 WeakPolarHBondContact O-CD2 3.21Å; L209-Y214 PolarHBondContact O-N 2.93Å; K212-Y214 HydrophobicContact CB-CD2 3.86Å; K212-Y214 HydrophobicContact CB-CE2 3.96Å; K212-Y214 HydrophobicContact CD-CE2 4.17Å; Y214-E235 HydrophobicContact CE2-CG 4.27Å; Y214-M238 HydrophobicContact CD1-CB 4.48Å; Y214-M238 HydrophobicContact CD1-CE 3.49Å; Y214-M238 VanDerWaalsContact CD1-CE 3.49Å; Y214-M238 HydrophobicContact CD2-CE 3.54Å; Y214-M238 HydrophobicContact CE1-CB 4.39Å; Y214-M238 HydrophobicContact CE1-CE 4.09Å; Y214-M238 HydrophobicContact CE2-CE 4.14Å; Y214-M238 HydrophobicContact CG-CE 3.18Å | ||
| 215 | R | 87.3 | Confident | 87.2 | Confident | 114 Ų | 114 | 71.8 Ų | 71.8 | 43% | 0.43 | 35% | 0.351 | S | S | . | . | trans | -62.8 | 138.2 | 178.1 | -66.3 | 162.6 | 45.8 | 174.1 | 1.4 | 111.2 | D217 I218 V219 E245 | R215-D217 VanDerWaalsContact C-N 3.31Å; R215-D217 WeakPolarHBondContact CB-OD1 3.48Å; R215-D217 IonicContact CZ-OD1 2.73Å; R215-D217 IonicContact CZ-OD2 2.71Å; R215-D217 IonicContact NE-OD1 3.5Å; R215-D217 PolarHBondContact NE-OD1 2.89Å; R215-D217 IonicContact NE-OD2 3.32Å; R215-D217 IonicContact NH2-OD1 3.52Å; R215-D217 IonicContact NH2-OD2 3.98Å; R215-D217 PolarHBondContact NH2-OD2 2.71Å; R215-D217 PolarHBondContact O-N 2.92Å; R215-I218 HydrophobicContact CB-CB 4.47Å; R215-I218 HydrophobicContact CB-CD1 4.16Å; R215-I218 HydrophobicContact CB-CG1 4.25Å; R215-I218 HydrophobicContact CG-CD1 4.46Å; R215-I218 PolarHBondContact O-N 3.24Å; R215-V219 WeakPolarHBondContact O-CG2 3.45Å; R215-V219 PolarHBondContact O-N 3.09Å; R215-E245 IonicContact CZ-OE1 3.98Å; R215-E245 IonicContact CZ-OE2 3.14Å; R215-E245 IonicContact NH1-OE1 2.75Å; R215-E245 PolarHBondContact NH1-OE1 3.3Å; R215-E245 IonicContact NH1-OE2 2.72Å; R215-E245 PolarHBondContact NH1-OE2 3.28Å; R215-E245 IonicContact NH2-OE1 2.97Å | ||
| 216 | A | 85.5 | Confident | 87.2 | Confident | 54 Ų | 54 | 70.3 Ų | 70.3 | 45% | 0.446 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.1 | -34.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | L210 V219 E220 | L210-A216 HydrophobicContact CD2-CB 3.78Å; A216-V219 PolarHBondContact O-N 2.77Å; A216-E220 VanDerWaalsContact O-CB 3.31Å; A216-E220 WeakPolarHBondContact O-CB 3.48Å; A216-E220 PolarHBondContact O-N 3.47Å |
| 217 | D | 86.6 | Confident | 87 | Confident | 56 Ų | 56 | 68.2 Ų | 68.2 | 30% | 0.299 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -67.3 | -40.7 | 177.9 | 68.7 | -43.6 | 0 | 0 | 0 | 112.4 | R215 K221 | R215-D217 VanDerWaalsContact C-N 3.31Å; R215-D217 WeakPolarHBondContact CB-OD1 3.48Å; R215-D217 IonicContact CZ-OD1 2.73Å; R215-D217 IonicContact CZ-OD2 2.71Å; R215-D217 IonicContact NE-OD1 3.5Å; R215-D217 PolarHBondContact NE-OD1 2.89Å; R215-D217 IonicContact NE-OD2 3.32Å; R215-D217 IonicContact NH2-OD1 3.52Å; R215-D217 IonicContact NH2-OD2 3.98Å; R215-D217 PolarHBondContact NH2-OD2 2.71Å; R215-D217 PolarHBondContact O-N 2.92Å; D217-K221 WeakPolarHBondContact O-CB 3.43Å; D217-K221 VanDerWaalsContact O-CG 3.27Å; D217-K221 WeakPolarHBondContact O-CG 3.4Å; D217-K221 PolarHBondContact O-N 3.02Å |
| 218 | I | 85.6 | Confident | 86.7 | Confident | 8 Ų | 8 | 69.8 Ų | 69.8 | 4% | 0.041 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.5 | -47.4 | 172.8 | -64.8 | 175.6 | 0 | 0 | 0 | 110.2 | R215 A222 M238 I252 | R215-I218 HydrophobicContact CB-CB 4.47Å; R215-I218 HydrophobicContact CB-CD1 4.16Å; R215-I218 HydrophobicContact CB-CG1 4.25Å; R215-I218 HydrophobicContact CG-CD1 4.46Å; R215-I218 PolarHBondContact O-N 3.24Å; I218-A222 WeakPolarHBondContact O-CB 3.36Å; I218-A222 PolarHBondContact O-N 3.36Å; I218-M238 HydrophobicContact CG2-CB 3.87Å; I218-M238 HydrophobicContact CG2-CE 4.23Å; I218-M238 HydrophobicContact CG2-CG 3.71Å; I218-I252 HydrophobicContact CD1-CD1 3.87Å; I218-I252 HydrophobicContact CD1-CG1 4.28Å; I218-I252 HydrophobicContact CG1-CD1 3.4Å; I218-I252 VanDerWaalsContact CG1-CD1 3.4Å; I218-I252 HydrophobicContact CG1-CG1 3.93Å; I218-I252 HydrophobicContact CG1-CG2 4.35Å |
| 219 | V | 88.6 | Confident | 86.3 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.5 | -47.9 | -179.7 | 172 | 0 | 0 | 0 | 0 | 110.9 | R206 L209 L210 R215 A216 A222 L223 M238 | R206-V219 HydrophobicContact CG-CG1 3.97Å; L209-V219 HydrophobicContact CB-CG1 4.11Å; L209-V219 HydrophobicContact CB-CG2 3.84Å; L209-V219 HydrophobicContact CD1-CG1 4.12Å; L210-V219 HydrophobicContact CD2-CG2 4.33Å; R215-V219 WeakPolarHBondContact O-CG2 3.45Å; R215-V219 PolarHBondContact O-N 3.09Å; A216-V219 PolarHBondContact O-N 2.77Å; V219-A222 PolarHBondContact O-N 2.73Å; V219-L223 HydrophobicContact CG1-CD1 3.66Å; V219-L223 HydrophobicContact CG1-CG 4.38Å; V219-L223 VanDerWaalsContact O-CB 3.27Å; V219-L223 WeakPolarHBondContact O-CB 3.35Å; V219-L223 VanDerWaalsContact O-CG 3.26Å; V219-L223 WeakPolarHBondContact O-CG 3.29Å; V219-L223 PolarHBondContact O-N 3.17Å; V219-M238 HydrophobicContact CG2-CE 3.49Å; V219-M238 VanDerWaalsContact CG2-CE 3.49Å; V219-M238 HydrophobicContact CG2-SD 4.3Å |
| 220 | E | 87.9 | Confident | 86 | Confident | 91 Ų | 91 | 67.6 Ų | 67.6 | 43% | 0.425 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -67.8 | -42.1 | -177.6 | -171.6 | 165.1 | 161.3 | 0 | 0 | 112.3 | R206 A216 R224 | R206-E220 IonicContact CZ-OE2 2.65Å; R206-E220 IonicContact NH2-OE2 3.54Å; R206-E220 PolarHBondContact NH2-OE2 3.02Å; A216-E220 VanDerWaalsContact O-CB 3.31Å; A216-E220 WeakPolarHBondContact O-CB 3.48Å; A216-E220 PolarHBondContact O-N 3.47Å; E220-R224 VanDerWaalsContact O-CB 3.22Å; E220-R224 WeakPolarHBondContact O-CB 3.15Å; E220-R224 PolarHBondContact O-N 3.23Å |
| 221 | K | 86.5 | Confident | 85.8 | Confident | 65 Ų | 65 | 65.8 Ų | 65.8 | 28% | 0.283 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65.5 | -44.4 | 174.4 | -71.6 | 174 | -179.4 | -179.5 | 0 | 111.9 | D217 R224 C225 I252 D253 L256 | D217-K221 WeakPolarHBondContact O-CB 3.43Å; D217-K221 VanDerWaalsContact O-CG 3.27Å; D217-K221 WeakPolarHBondContact O-CG 3.4Å; D217-K221 PolarHBondContact O-N 3.02Å; K221-R224 PolarHBondContact O-N 3.26Å; K221-C225 VanDerWaalsContact O-CB 3.31Å; K221-C225 WeakPolarHBondContact O-CB 3.39Å; K221-C225 PolarHBondContact O-N 3.02Å; K221-C225 PolarHBondContact O-SG 3.49Å; K221-C225 VanDerWaalsContact O-SG 3.41Å; K221-I252 HydrophobicContact CD-CG2 4.37Å; K221-D253 VanDerWaalsContact CD-OD1 3.31Å; K221-D253 WeakPolarHBondContact CD-OD1 3.5Å; K221-D253 WeakPolarHBondContact CE-OD1 3.37Å; K221-D253 IonicContact NZ-OD1 3.69Å; K221-D253 PolarHBondContact NZ-OD1 3.32Å; K221-D253 IonicContact NZ-OD2 3.62Å; K221-D253 PolarHBondContact NZ-OD2 2.96Å; K221-L256 HydrophobicContact CB-CD2 4.05Å |
| 222 | A | 87.1 | Confident | 85.6 | Confident | 1 Ų | 1 | 65.4 Ų | 65.4 | 1% | 0.008 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.4 | -49.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | I218 V219 R224 C225 L226 I234 M238 L256 | I218-A222 WeakPolarHBondContact O-CB 3.36Å; I218-A222 PolarHBondContact O-N 3.36Å; V219-A222 PolarHBondContact O-N 2.73Å; A222-R224 VanDerWaalsContact C-N 3.29Å; A222-R224 PolarHBondContact O-N 3.32Å; A222-C225 PolarHBondContact O-N 3.37Å; A222-L226 WeakPolarHBondContact O-CB 3.25Å; A222-L226 PolarHBondContact O-N 3.05Å; A222-I234 HydrophobicContact CB-CD1 3.89Å; A222-I234 HydrophobicContact CB-CG1 3.91Å; A222-M238 HydrophobicContact CB-CG 3.85Å; A222-M238 HydrophobicContact CB-SD 4.21Å; A222-L256 HydrophobicContact CB-CD2 4.44Å |
| 223 | L | 86.8 | Confident | 85.7 | Confident | 5 Ų | 5 | 63 Ų | 63 | 3% | 0.026 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.4 | -29.2 | 179.3 | -76.7 | 172.5 | 0 | 0 | 0 | 114 | H202 L205 R206 V219 L231 I234 | H202-L223 WeakPolarHBondContact CE1-CB 3.31Å; H202-L223 WeakPolarHBondContact NE2-CA 3.26Å; H202-L223 WeakPolarHBondContact NE2-CB 3.33Å; H202-L223 PolarHBondContact NE2-O 3.06Å; L205-L223 HydrophobicContact CD2-CD2 3.9Å; L205-L223 HydrophobicContact CG-CD2 4.26Å; R206-L223 HydrophobicContact CB-CD1 3.64Å; R206-L223 HydrophobicContact CG-CD1 3.86Å; V219-L223 HydrophobicContact CG1-CD1 3.66Å; V219-L223 HydrophobicContact CG1-CG 4.38Å; V219-L223 VanDerWaalsContact O-CB 3.27Å; V219-L223 WeakPolarHBondContact O-CB 3.35Å; V219-L223 VanDerWaalsContact O-CG 3.26Å; V219-L223 WeakPolarHBondContact O-CG 3.29Å; V219-L223 PolarHBondContact O-N 3.17Å; L223-L231 HydrophobicContact CD2-CD2 4.2Å; L223-I234 HydrophobicContact CD2-CD1 3.48Å; L223-I234 VanDerWaalsContact CD2-CD1 3.48Å; L223-I234 HydrophobicContact CG-CD1 3.74Å |
| 224 | R | 85.8 | Confident | 85.9 | Confident | 208 Ų | 208 | 60.1 Ų | 60.1 | 79% | 0.785 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -83.8 | -31.6 | 179.3 | -168.8 | 175.4 | -171.2 | 162 | 1 | 113.2 | E220 K221 A222 | E220-R224 VanDerWaalsContact O-CB 3.22Å; E220-R224 WeakPolarHBondContact O-CB 3.15Å; E220-R224 PolarHBondContact O-N 3.23Å; K221-R224 PolarHBondContact O-N 3.26Å; A222-R224 VanDerWaalsContact C-N 3.29Å; A222-R224 PolarHBondContact O-N 3.32Å |
| 225 | C | 83.9 | Confident | 86 | Confident | 67 Ų | 67 | 60.2 Ų | 60.2 | 45% | 0.453 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -101 | -23.4 | -174.4 | -62.7 | 0 | 0 | 0 | 0 | 114.3 | K221 A222 L256 I260 | K221-C225 VanDerWaalsContact O-CB 3.31Å; K221-C225 WeakPolarHBondContact O-CB 3.39Å; K221-C225 PolarHBondContact O-N 3.02Å; K221-C225 PolarHBondContact O-SG 3.49Å; K221-C225 VanDerWaalsContact O-SG 3.41Å; A222-C225 PolarHBondContact O-N 3.37Å; C225-L256 HydrophobicContact CB-CD2 4.24Å; C225-I260 HydrophobicContact CB-CD1 3.75Å |
| 226 | L | 85.2 | Confident | 86.3 | Confident | 13 Ų | 13 | 57.9 Ų | 57.9 | 7% | 0.068 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -72.1 | 137.3 | 177.7 | -106.1 | 70.3 | 0 | 0 | 0 | 112.2 | A222 R230 L231 I234 Y237 L256 I260 | A222-L226 WeakPolarHBondContact O-CB 3.25Å; A222-L226 PolarHBondContact O-N 3.05Å; L226-R230 HydrophobicContact CD2-CB 4.24Å; L226-R230 WeakPolarHBondContact CD2-O 3.39Å; L226-R230 HydrophobicContact CG-CB 4.45Å; L226-L231 HydrophobicContact CB-CD2 3.88Å; L226-L231 HydrophobicContact CD2-CD2 4.33Å; L226-I234 HydrophobicContact CD2-CB 4.03Å; L226-I234 HydrophobicContact CD2-CG1 4.08Å; L226-Y237 HydrophobicContact CD1-CD1 4.4Å; L226-Y237 HydrophobicContact CD1-CD2 4.36Å; L226-Y237 HydrophobicContact CD1-CG 4.09Å; L226-Y237 HydrophobicContact CD2-CD2 3.74Å; L226-Y237 HydrophobicContact CD2-CE2 4.21Å; L226-Y237 HydrophobicContact CD2-CG 4.27Å; L226-Y237 HydrophobicContact CG-CD2 4.45Å; L226-L256 HydrophobicContact CD1-CD1 3.88Å; L226-I260 HydrophobicContact CD1-CD1 4.11Å; L226-I260 HydrophobicContact CD1-CG1 4.08Å |
| 227 | P | 83.6 | Confident | 86.5 | Confident | 53 Ų | 53 | 55.3 Ų | 55.3 | 34% | 0.344 | 28% | 0.276 | S | S | . | . | trans | -59.9 | 143.5 | 163.5 | -21.8 | 33.3 | 0 | 0 | 0 | 111.6 | S229 R230 L231 | P227-S229 PolarHBondContact O-N 2.83Å; P227-S229 VanDerWaalsContact O-N 3.11Å; P227-R230 PolarHBondContact O-N 2.9Å; P227-L231 PolarHBondContact O-N 3.25Å | ||
| 228 | K | 82.2 | Confident | 86.7 | Confident | 150 Ų | 150 | 52.7 Ų | 52.7 | 65% | 0.652 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -49.5 | -41 | 179.6 | -71.7 | -170.8 | 176.7 | -175.6 | 0 | 113.4 | D198 R230 L231 | D198-K228 IonicContact OD2-NZ 3.07Å; D198-K228 PolarHBondContact OD2-NZ 3.41Å; K228-R230 PolarHBondContact O-N 3.32Å; K228-L231 WeakPolarHBondContact O-CB 3.44Å; K228-L231 PolarHBondContact O-N 3.45Å |
| 229 | S | 81.4 | Confident | 87.1 | Confident | 99 Ų | 99 | 57.6 Ų | 57.6 | 69% | 0.692 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -62.4 | -24.2 | 178.4 | 51.6 | 0 | 0 | 0 | 0 | 114.5 | P227 | P227-S229 PolarHBondContact O-N 2.83Å; P227-S229 VanDerWaalsContact O-N 3.11Å |
| 230 | R | 81.8 | Confident | 87.2 | Confident | 24 Ų | 24 | 57.6 Ų | 57.6 | 9% | 0.091 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -99.9 | -4.3 | -178.1 | -67.2 | 166.8 | 85 | -170.1 | -3.4 | 112.8 | L226 P227 K228 V232 H233 Y237 L259 I260 N263 L264 | L226-R230 HydrophobicContact CD2-CB 4.24Å; L226-R230 WeakPolarHBondContact CD2-O 3.39Å; L226-R230 HydrophobicContact CG-CB 4.45Å; P227-R230 PolarHBondContact O-N 2.9Å; K228-R230 PolarHBondContact O-N 3.32Å; R230-V232 PolarHBondContact O-N 2.74Å; R230-H233 PolarHBondContact O-N 3.37Å; R230-Y237 PolarHBondContact NE-OH 3.23Å; R230-Y237 VanDerWaalsContact NE-OH 3.16Å; R230-Y237 PolarHBondContact NH2-OH 3.03Å; R230-L259 PolarHBondContact NH2-O 3.14Å; R230-I260 PolarHBondContact NH1-O 3.24Å; R230-I260 PolarHBondContact NH2-O 2.93Å; R230-N263 PolarHBondContact NH1-OD1 3.02Å; R230-L264 PolarHBondContact NE-O 3.06Å; R230-L264 PolarHBondContact NH2-O 2.9Å; R230-L264 VanDerWaalsContact NH2-O 3.17Å |
| 231 | L | 84.4 | Confident | 87.4 | Confident | 30 Ų | 30 | 53.3 Ų | 53.3 | 16% | 0.157 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -59.3 | -27.5 | 176.5 | -68.8 | 176.6 | 0 | 0 | 0 | 112.8 | L205 L223 L226 P227 K228 H233 I234 | L205-L231 HydrophobicContact CD2-CB 4.48Å; L223-L231 HydrophobicContact CD2-CD2 4.2Å; L226-L231 HydrophobicContact CB-CD2 3.88Å; L226-L231 HydrophobicContact CD2-CD2 4.33Å; P227-L231 PolarHBondContact O-N 3.25Å; K228-L231 WeakPolarHBondContact O-CB 3.44Å; K228-L231 PolarHBondContact O-N 3.45Å; L231-H233 PolarHBondContact O-N 3.32Å; L231-H233 VanDerWaalsContact O-N 3.1Å; L231-I234 HydrophobicContact CD2-CD1 3.98Å; L231-I234 WeakPolarHBondContact O-CB 3.39Å; L231-I234 WeakPolarHBondContact O-CG2 3.5Å; L231-I234 PolarHBondContact O-N 3.48Å |
| 232 | V | 86.5 | Confident | 87.6 | Confident | 119 Ų | 119 | 57 Ų | 57 | 72% | 0.721 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -54.7 | -27.2 | 171.7 | -172.8 | 0 | 0 | 0 | 0 | 112.3 | R230 | R230-V232 PolarHBondContact O-N 2.74Š|
| 233 | H | 88.6 | Confident | 87.8 | Confident | 54 Ų | 54 | 58.8 Ų | 58.8 | 25% | 0.25 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -111.4 | 13.8 | -179.1 | -59.4 | -31.4 | 0 | 0 | 0 | 113.4 | R230 L231 E235 Y236 Y237 S265 I270 | R230-H233 PolarHBondContact O-N 3.37Å; L231-H233 PolarHBondContact O-N 3.32Å; L231-H233 VanDerWaalsContact O-N 3.1Å; H233-E235 VanDerWaalsContact C-N 3.26Å; H233-E235 PolarHBondContact O-N 3.37Å; H233-Y236 HydrophobicContact CB-CD2 4.06Å; H233-Y236 WeakPolarHBondContact O-CA 3.49Å; H233-Y236 WeakPolarHBondContact O-CB 3.32Å; H233-Y236 PolarHBondContact O-N 2.7Å; H233-Y237 HydrophobicContact CB-CD2 4.45Å; H233-Y237 HydrophobicContact CB-CE2 4.12Å; H233-Y237 VanDerWaalsContact O-CD2 3.31Å; H233-Y237 WeakPolarHBondContact O-CD2 3.15Å; H233-Y237 PolarHBondContact O-N 2.94Å; H233-S265 PolarHBondContact CD2-O 2.7Å; H233-S265 VanDerWaalsContact CD2-O 3.23Å; H233-S265 PolarHBondContact NE2-O 3.22Å; H233-I270 HydrophobicContact CB-CD1 4Å |
| 234 | I | 90 | Very high | 88 | Confident | 3 Ų | 3 | 58.6 Ų | 58.6 | 2% | 0.015 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -53.7 | -39.8 | -175.5 | -167.6 | 167.2 | 0 | 0 | 0 | 113.2 | L205 L209 A222 L223 L226 L231 Y236 Y237 M238 | L205-I234 HydrophobicContact CD1-CG2 4.36Å; L205-I234 HydrophobicContact CD2-CG2 4.35Å; L209-I234 HydrophobicContact CD1-CD1 4.09Å; L209-I234 HydrophobicContact CD1-CG2 4.09Å; L209-I234 HydrophobicContact CD2-CG2 4.38Å; A222-I234 HydrophobicContact CB-CD1 3.89Å; A222-I234 HydrophobicContact CB-CG1 3.91Å; L223-I234 HydrophobicContact CD2-CD1 3.48Å; L223-I234 VanDerWaalsContact CD2-CD1 3.48Å; L223-I234 HydrophobicContact CG-CD1 3.74Å; L226-I234 HydrophobicContact CD2-CB 4.03Å; L226-I234 HydrophobicContact CD2-CG1 4.08Å; L231-I234 HydrophobicContact CD2-CD1 3.98Å; L231-I234 WeakPolarHBondContact O-CB 3.39Å; L231-I234 WeakPolarHBondContact O-CG2 3.5Å; L231-I234 PolarHBondContact O-N 3.48Å; I234-Y236 PolarHBondContact O-N 2.83Å; I234-Y237 PolarHBondContact O-N 2.87Å; I234-Y237 VanDerWaalsContact O-N 3.14Å; I234-M238 HydrophobicContact CD1-SD 4.39Å; I234-M238 HydrophobicContact CG1-CG 4.28Å; I234-M238 HydrophobicContact CG1-SD 3.84Å; I234-M238 VanDerWaalsContact O-CG 3.26Å; I234-M238 WeakPolarHBondContact O-CG 3.16Å; I234-M238 PolarHBondContact O-N 3.49Å |
| 235 | E | 91 | Very high | 88.2 | Confident | 50 Ų | 50 | 51 Ų | 51 | 23% | 0.234 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.7 | -33.9 | 177.2 | -69 | -169.1 | -145.3 | 0 | 0 | 112.5 | L209 K212 Y214 H233 K239 | L209-E235 HydrophobicContact CD2-CG 3.49Å; L209-E235 VanDerWaalsContact CD2-CG 3.49Å; K212-E235 IonicContact NZ-OE1 3.17Å; K212-E235 PolarHBondContact NZ-OE1 2.88Å; K212-E235 IonicContact NZ-OE2 2.7Å; K212-E235 PolarHBondContact NZ-OE2 2.73Å; Y214-E235 HydrophobicContact CE2-CG 4.27Å; H233-E235 VanDerWaalsContact C-N 3.26Å; H233-E235 PolarHBondContact O-N 3.37Å; E235-K239 VanDerWaalsContact O-CB 3.26Å; E235-K239 WeakPolarHBondContact O-CB 3.43Å; E235-K239 PolarHBondContact O-N 2.86Å |
| 236 | Y | 92.4 | Very high | 88.5 | Confident | 65 Ų | 65 | 55.6 Ų | 55.6 | 26% | 0.255 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -75.8 | -36.1 | 177.5 | -55.6 | -63.3 | 0 | 0 | 0 | 112 | H233 I234 K239 A240 K267 L271 | H233-Y236 HydrophobicContact CB-CD2 4.06Å; H233-Y236 WeakPolarHBondContact O-CA 3.49Å; H233-Y236 WeakPolarHBondContact O-CB 3.32Å; H233-Y236 PolarHBondContact O-N 2.7Å; I234-Y236 PolarHBondContact O-N 2.83Å; Y236-K239 PolarHBondContact O-N 2.97Å; Y236-A240 WeakPolarHBondContact O-CB 3.35Å; Y236-A240 PolarHBondContact O-N 2.75Å; Y236-K267 HydrophobicContact CD1-CD 4.39Å; Y236-K267 HydrophobicContact CD1-CG 3.81Å; Y236-K267 HydrophobicContact CD2-CB 3.94Å; Y236-K267 HydrophobicContact CD2-CD 4.48Å; Y236-K267 HydrophobicContact CD2-CG 3.96Å; Y236-K267 HydrophobicContact CE1-CD 3.74Å; Y236-K267 HydrophobicContact CE1-CG 3.67Å; Y236-K267 HydrophobicContact CE2-CB 4.01Å; Y236-K267 HydrophobicContact CE2-CD 3.85Å; Y236-K267 HydrophobicContact CE2-CG 3.83Å; Y236-K267 HydrophobicContact CG-CB 4.25Å; Y236-K267 HydrophobicContact CG-CG 3.95Å; Y236-K267 VanDerWaalsContact CZ-CD 3.43Å; Y236-K267 WeakPolarHBondContact OH-CD 3.42Å; Y236-K267 WeakPolarHBondContact OH-CE 3.38Å; Y236-K267 PolarHBondContact OH-NZ 3.06Å; Y236-L271 HydrophobicContact CD1-CD1 4.18Å; Y236-L271 HydrophobicContact CD1-CD2 4.5Å; Y236-L271 HydrophobicContact CD1-CG 4.47Å |
| 237 | Y | 90.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.1 | -43.4 | 169.6 | -74.5 | -83.1 | 0 | 0 | 0 | 111.9 | L226 R230 H233 I234 A240 C241 L259 L264 I270 | L226-Y237 HydrophobicContact CD1-CD1 4.4Å; L226-Y237 HydrophobicContact CD1-CD2 4.36Å; L226-Y237 HydrophobicContact CD1-CG 4.09Å; L226-Y237 HydrophobicContact CD2-CD2 3.74Å; L226-Y237 HydrophobicContact CD2-CE2 4.21Å; L226-Y237 HydrophobicContact CD2-CG 4.27Å; L226-Y237 HydrophobicContact CG-CD2 4.45Å; R230-Y237 PolarHBondContact NE-OH 3.23Å; R230-Y237 VanDerWaalsContact NE-OH 3.16Å; R230-Y237 PolarHBondContact NH2-OH 3.03Å; H233-Y237 HydrophobicContact CB-CD2 4.45Å; H233-Y237 HydrophobicContact CB-CE2 4.12Å; H233-Y237 VanDerWaalsContact O-CD2 3.31Å; H233-Y237 WeakPolarHBondContact O-CD2 3.15Å; H233-Y237 PolarHBondContact O-N 2.94Å; I234-Y237 PolarHBondContact O-N 2.87Å; I234-Y237 VanDerWaalsContact O-N 3.14Å; Y237-A240 WeakPolarHBondContact O-CB 3.25Å; Y237-A240 PolarHBondContact O-N 2.9Å; Y237-C241 WeakPolarHBondContact O-CB 3.48Å; Y237-C241 PolarHBondContact O-N 2.72Å; Y237-C241 PolarHBondContact O-SG 2.97Å; Y237-L259 HydrophobicContact CD1-CB 3.87Å; Y237-L259 HydrophobicContact CD1-CD1 4.45Å; Y237-L259 HydrophobicContact CE1-CB 3.92Å; Y237-L264 PolarHBondContact OH-O 2.95Å; Y237-I270 HydrophobicContact CD1-CG2 4.34Å; Y237-I270 HydrophobicContact CD2-CD1 4.13Å; Y237-I270 HydrophobicContact CE1-CD1 4.39Å; Y237-I270 HydrophobicContact CE1-CG1 4.24Å; Y237-I270 HydrophobicContact CE1-CG2 4.39Å; Y237-I270 HydrophobicContact CE2-CD1 3.41Å; Y237-I270 VanDerWaalsContact CE2-CD1 3.41Å; Y237-I270 HydrophobicContact CE2-CG1 4.15Å; Y237-I270 HydrophobicContact CG-CG2 4.45Å; Y237-I270 WeakPolarHBondContact OH-CD1 3.25Å |
| 238 | M | 91.1 | Very high | 88.6 | Confident | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.7 | -40.2 | 178.9 | -65 | 171.5 | 42.1 | 0 | 0 | 111.5 | L209 Y214 I218 V219 A222 I234 C241 R242 | L209-M238 HydrophobicContact CB-CE 4.48Å; L209-M238 HydrophobicContact CD1-SD 3.96Å; L209-M238 HydrophobicContact CD2-CE 4.14Å; L209-M238 HydrophobicContact CD2-SD 4.09Å; Y214-M238 HydrophobicContact CD1-CB 4.48Å; Y214-M238 HydrophobicContact CD1-CE 3.49Å; Y214-M238 VanDerWaalsContact CD1-CE 3.49Å; Y214-M238 HydrophobicContact CD2-CE 3.54Å; Y214-M238 HydrophobicContact CE1-CB 4.39Å; Y214-M238 HydrophobicContact CE1-CE 4.09Å; Y214-M238 HydrophobicContact CE2-CE 4.14Å; Y214-M238 HydrophobicContact CG-CE 3.18Å; I218-M238 HydrophobicContact CG2-CB 3.87Å; I218-M238 HydrophobicContact CG2-CE 4.23Å; I218-M238 HydrophobicContact CG2-CG 3.71Å; V219-M238 HydrophobicContact CG2-CE 3.49Å; V219-M238 VanDerWaalsContact CG2-CE 3.49Å; V219-M238 HydrophobicContact CG2-SD 4.3Å; A222-M238 HydrophobicContact CB-CG 3.85Å; A222-M238 HydrophobicContact CB-SD 4.21Å; I234-M238 HydrophobicContact CD1-SD 4.39Å; I234-M238 HydrophobicContact CG1-CG 4.28Å; I234-M238 HydrophobicContact CG1-SD 3.84Å; I234-M238 VanDerWaalsContact O-CG 3.26Å; I234-M238 WeakPolarHBondContact O-CG 3.16Å; I234-M238 PolarHBondContact O-N 3.49Å; M238-C241 PolarHBondContact O-N 2.75Å; M238-R242 WeakPolarHBondContact O-CB 3.36Å; M238-R242 PolarHBondContact O-N 3.49Å |
| 239 | K | 92.4 | Very high | 88.6 | Confident | 111 Ų | 111 | 55.2 Ų | 55.2 | 48% | 0.483 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.5 | -43.8 | 172.8 | -172.7 | 173.4 | 178.7 | -176.3 | 0 | 111.5 | E235 Y236 R242 T243 L271 | E235-K239 VanDerWaalsContact O-CB 3.26Å; E235-K239 WeakPolarHBondContact O-CB 3.43Å; E235-K239 PolarHBondContact O-N 2.86Å; Y236-K239 PolarHBondContact O-N 2.97Å; K239-R242 PolarHBondContact O-N 3.07Å; K239-T243 PolarHBondContact O-N 3.15Å; K239-T243 PolarHBondContact O-OG1 3Å; K239-T243 VanDerWaalsContact O-OG1 3.1Å; K239-L271 HydrophobicContact CB-CD2 4.18Å; K239-L271 HydrophobicContact CD-CD2 3.89Å; K239-L271 HydrophobicContact CG-CD2 3.98Å |
| 240 | A | 92.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.9 | -47.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y236 Y237 R242 T243 V244 L259 I270 S274 | Y236-A240 WeakPolarHBondContact O-CB 3.35Å; Y236-A240 PolarHBondContact O-N 2.75Å; Y237-A240 WeakPolarHBondContact O-CB 3.25Å; Y237-A240 PolarHBondContact O-N 2.9Å; A240-R242 VanDerWaalsContact C-N 3.3Å; A240-R242 PolarHBondContact O-N 2.86Å; A240-T243 WeakPolarHBondContact O-CB 3.26Å; A240-T243 PolarHBondContact O-N 2.87Å; A240-T243 VanDerWaalsContact O-N 3.16Å; A240-V244 PolarHBondContact O-N 2.98Å; A240-V244 VanDerWaalsContact O-N 3.12Å; A240-L259 HydrophobicContact CB-CD1 3.62Å; A240-I270 HydrophobicContact CB-CG2 3.87Å; A240-S274 VanDerWaalsContact CA-CB 3.44Å |
| 241 | C | 91.7 | Very high | 89 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.007 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.1 | -44 | 174.1 | -67 | 0 | 0 | 0 | 0 | 111.1 | Y237 M238 T243 V244 E245 | Y237-C241 WeakPolarHBondContact O-CB 3.48Å; Y237-C241 PolarHBondContact O-N 2.72Å; Y237-C241 PolarHBondContact O-SG 2.97Å; M238-C241 PolarHBondContact O-N 2.75Å; C241-T243 PolarHBondContact O-N 3.5Å; C241-V244 PolarHBondContact O-N 3.28Å; C241-E245 VanDerWaalsContact O-CB 3.25Å; C241-E245 WeakPolarHBondContact O-CB 3.49Å; C241-E245 PolarHBondContact O-N 3.43Å |
| 242 | R | 90.9 | Very high | 89.1 | Confident | 141 Ų | 141 | 50.7 Ų | 50.7 | 53% | 0.532 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.1 | -35.8 | 176.9 | -166.5 | 178.5 | -175.5 | -175.8 | 2.5 | 113 | M238 K239 A240 V244 K246 | M238-R242 WeakPolarHBondContact O-CB 3.36Å; M238-R242 PolarHBondContact O-N 3.49Å; K239-R242 PolarHBondContact O-N 3.07Å; A240-R242 VanDerWaalsContact C-N 3.3Å; A240-R242 PolarHBondContact O-N 2.86Å; R242-V244 VanDerWaalsContact C-N 3.34Å; R242-K246 WeakPolarHBondContact O-CB 3.46Å; R242-K246 VanDerWaalsContact O-CG 3.24Å; R242-K246 WeakPolarHBondContact O-CG 3.1Å; R242-K246 PolarHBondContact O-N 3.43Å |
| 243 | T | 91.6 | Very high | 89 | Confident | 39 Ų | 39 | 49.4 Ų | 49.4 | 24% | 0.239 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -65.1 | -36.5 | 175.9 | -63.4 | 0 | 0 | 0 | 0 | 112.4 | K239 A240 C241 S278 | K239-T243 PolarHBondContact O-N 3.15Å; K239-T243 PolarHBondContact O-OG1 3Å; K239-T243 VanDerWaalsContact O-OG1 3.1Å; A240-T243 WeakPolarHBondContact O-CB 3.26Å; A240-T243 PolarHBondContact O-N 2.87Å; A240-T243 VanDerWaalsContact O-N 3.16Å; C241-T243 PolarHBondContact O-N 3.5Å; T243-S278 PolarHBondContact O-OG 3.1Å; T243-S278 VanDerWaalsContact O-OG 3.1Å |
| 244 | V | 90.4 | Very high | 88.9 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.006 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -78.9 | -45.1 | 176.7 | 173.2 | 0 | 0 | 0 | 0 | 111.2 | A240 C241 R242 K246 T247 T255 S274 C277 L281 | A240-V244 PolarHBondContact O-N 2.98Å; A240-V244 VanDerWaalsContact O-N 3.12Å; C241-V244 PolarHBondContact O-N 3.28Å; R242-V244 VanDerWaalsContact C-N 3.34Å; V244-K246 VanDerWaalsContact C-N 3.27Å; V244-K246 PolarHBondContact O-N 3.48Å; V244-T247 WeakPolarHBondContact O-CB 3.23Å; V244-T247 WeakPolarHBondContact O-CG2 3.33Å; V244-T247 PolarHBondContact O-N 3.01Å; V244-T247 PolarHBondContact O-OG1 3.03Å; V244-T255 HydrophobicContact CB-CG2 3.79Å; V244-T255 HydrophobicContact CG1-CG2 3.81Å; V244-T255 WeakPolarHBondContact CG1-OG1 3.24Å; V244-T255 HydrophobicContact CG2-CG2 3.9Å; V244-S274 WeakPolarHBondContact CG2-O 3.39Å; V244-C277 HydrophobicContact CG2-CB 3.97Å; V244-L281 HydrophobicContact CG1-CD1 3.7Å |
| 245 | E | 90.6 | Very high | 88.9 | Confident | 50 Ų | 50 | 50.1 Ų | 50.1 | 23% | 0.234 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.1 | -36 | 177.8 | -173.9 | -177.1 | -143.8 | 0 | 0 | 112.2 | R215 C241 T247 G248 I252 | R215-E245 IonicContact CZ-OE1 3.98Å; R215-E245 IonicContact CZ-OE2 3.14Å; R215-E245 IonicContact NH1-OE1 2.75Å; R215-E245 PolarHBondContact NH1-OE1 3.3Å; R215-E245 IonicContact NH1-OE2 2.72Å; R215-E245 PolarHBondContact NH1-OE2 3.28Å; R215-E245 IonicContact NH2-OE1 2.97Å; C241-E245 VanDerWaalsContact O-CB 3.25Å; C241-E245 WeakPolarHBondContact O-CB 3.49Å; C241-E245 PolarHBondContact O-N 3.43Å; E245-T247 PolarHBondContact O-N 3.44Å; E245-G248 PolarHBondContact O-N 2.86Å; E245-I252 VanDerWaalsContact OE1-CD1 3.22Å; E245-I252 WeakPolarHBondContact OE1-CD1 3.44Å |
| 246 | K | 90.2 | Very high | 88.8 | Confident | 163 Ų | 163 | 48 Ų | 48 | 71% | 0.709 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -17.7 | 172.9 | -86.9 | 178.4 | 178.1 | -169.8 | 0 | 114.9 | R242 V244 G248 | R242-K246 WeakPolarHBondContact O-CB 3.46Å; R242-K246 VanDerWaalsContact O-CG 3.24Å; R242-K246 WeakPolarHBondContact O-CG 3.1Å; R242-K246 PolarHBondContact O-N 3.43Å; V244-K246 VanDerWaalsContact C-N 3.27Å; V244-K246 PolarHBondContact O-N 3.48Å; K246-G248 VanDerWaalsContact C-N 3.29Å |
| 247 | T | 87.1 | Confident | 88.7 | Confident | 28 Ų | 28 | 48 Ų | 48 | 17% | 0.172 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -15.1 | 174.5 | 66.7 | 0 | 0 | 0 | 0 | 113.5 | V244 E245 K249 S278 L281 K282 | V244-T247 WeakPolarHBondContact O-CB 3.23Å; V244-T247 WeakPolarHBondContact O-CG2 3.33Å; V244-T247 PolarHBondContact O-N 3.01Å; V244-T247 PolarHBondContact O-OG1 3.03Å; E245-T247 PolarHBondContact O-N 3.44Å; T247-K249 PolarHBondContact O-N 2.99Å; T247-K249 PolarHBondContact OG1-N 2.87Å; T247-S278 VanDerWaalsContact CG2-OG 3.25Å; T247-S278 WeakPolarHBondContact CG2-OG 3.39Å; T247-L281 HydrophobicContact CG2-CB 4.11Å; T247-L281 HydrophobicContact CG2-CD1 4.47Å; T247-K282 HydrophobicContact CG2-CG 4.36Å |
| 248 | G | 83.3 | Confident | 88.7 | Confident | 74 Ų | 74 | 48.5 Ų | 48.5 | 76% | 0.763 | 25% | 0.254 | S | S | * | . | S | Bend | trans | 70.4 | -0.9 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115 | E245 K246 | E245-G248 PolarHBondContact O-N 2.86Å; K246-G248 VanDerWaalsContact C-N 3.29Å |
| 249 | K | 83.1 | Confident | 88.6 | Confident | 106 Ų | 106 | 48.4 Ų | 48.4 | 46% | 0.461 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -107.6 | 1.7 | -171.8 | -65.3 | 179.7 | -174.4 | -175.3 | 0 | 114.7 | T247 L281 | T247-K249 PolarHBondContact O-N 2.99Å; T247-K249 PolarHBondContact OG1-N 2.87Å; K249-L281 HydrophobicContact CB-CB 4.49Å; K249-L281 HydrophobicContact CB-CD2 3.95Å; K249-L281 HydrophobicContact CD-CB 4.47Å; K249-L281 WeakPolarHBondContact CD-O 3.13Å; K249-L281 WeakPolarHBondContact CE-O 3.33Å; K249-L281 PolarHBondContact NZ-O 3.42Å |
| 250 | S | 84.4 | Confident | 88.5 | Confident | 10 Ų | 10 | 44.6 Ų | 44.6 | 7% | 0.07 | 24% | 0.238 | C | C | . | . | trans | -151.9 | 137.9 | -177.2 | -73.4 | 0 | 0 | 0 | 0 | 110.8 | L281 R287 | S250-L281 VanDerWaalsContact OG-CD1 3.25Å; S250-L281 WeakPolarHBondContact OG-CD1 3.25Å; S250-R287 WeakPolarHBondContact OG-CD 3.45Å; S250-R287 VanDerWaalsContact OG-CG 3.32Å; S250-R287 WeakPolarHBondContact OG-CG 3.45Å | ||
| 251 | S | 86.7 | Confident | 88.3 | Confident | 41 Ų | 41 | 51.9 Ų | 51.9 | 29% | 0.287 | 27% | 0.272 | S | S | . | . | trans | -90.4 | 164.1 | 176.9 | 69.4 | 0 | 0 | 0 | 0 | 112.8 | D253 E254 T255 | S251-D253 VanDerWaalsContact C-N 3.27Å; S251-D253 PolarHBondContact O-N 2.98Å; S251-E254 WeakPolarHBondContact CB-OE2 3.43Å; S251-E254 PolarHBondContact N-OE2 3.02Å; S251-E254 VanDerWaalsContact N-OE2 3.08Å; S251-E254 PolarHBondContact O-N 3.39Å; S251-E254 VanDerWaalsContact OG-CD 3.24Å; S251-E254 WeakPolarHBondContact OG-CG 3.23Å; S251-E254 PolarHBondContact OG-N 3.26Å; S251-E254 PolarHBondContact OG-OE2 3.28Å; S251-T255 WeakPolarHBondContact O-CB 3.47Å; S251-T255 PolarHBondContact O-N 3.18Å; S251-T255 PolarHBondContact O-OG1 3.09Å | ||
| 252 | I | 85 | Confident | 88.1 | Confident | 7 Ų | 7 | 53 Ų | 53 | 4% | 0.036 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.8 | -38.9 | 171.5 | -61.5 | 143.4 | 0 | 0 | 0 | 110.7 | I218 K221 E245 E254 T255 L256 | I218-I252 HydrophobicContact CD1-CD1 3.87Å; I218-I252 HydrophobicContact CD1-CG1 4.28Å; I218-I252 HydrophobicContact CG1-CD1 3.4Å; I218-I252 VanDerWaalsContact CG1-CD1 3.4Å; I218-I252 HydrophobicContact CG1-CG1 3.93Å; I218-I252 HydrophobicContact CG1-CG2 4.35Å; K221-I252 HydrophobicContact CD-CG2 4.37Å; E245-I252 VanDerWaalsContact OE1-CD1 3.22Å; E245-I252 WeakPolarHBondContact OE1-CD1 3.44Å; I252-E254 PolarHBondContact O-N 3.29Å; I252-T255 PolarHBondContact O-N 3.45Å; I252-L256 VanDerWaalsContact O-CB 3.26Å; I252-L256 WeakPolarHBondContact O-CB 3.33Å; I252-L256 PolarHBondContact O-N 3.34Å |
| 253 | D | 85.1 | Confident | 87.7 | Confident | 91 Ų | 91 | 52.4 Ų | 52.4 | 49% | 0.487 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.6 | -24.1 | -177.8 | -68.2 | -59.5 | 0 | 0 | 0 | 113.5 | K221 S251 P257 | K221-D253 VanDerWaalsContact CD-OD1 3.31Å; K221-D253 WeakPolarHBondContact CD-OD1 3.5Å; K221-D253 WeakPolarHBondContact CE-OD1 3.37Å; K221-D253 IonicContact NZ-OD1 3.69Å; K221-D253 PolarHBondContact NZ-OD1 3.32Å; K221-D253 IonicContact NZ-OD2 3.62Å; K221-D253 PolarHBondContact NZ-OD2 2.96Å; S251-D253 VanDerWaalsContact C-N 3.27Å; S251-D253 PolarHBondContact O-N 2.98Å; D253-P257 WeakPolarHBondContact O-CD 3.38Å; D253-P257 WeakPolarHBondContact O-CG 3.43Å |
| 254 | E | 86.8 | Confident | 87.5 | Confident | 73 Ų | 73 | 50.9 Ų | 50.9 | 34% | 0.341 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -97.5 | -36.1 | 177.1 | -61.6 | 160 | 127.8 | 0 | 0 | 111.4 | S251 I252 R287 F291 | S251-E254 WeakPolarHBondContact CB-OE2 3.43Å; S251-E254 PolarHBondContact N-OE2 3.02Å; S251-E254 VanDerWaalsContact N-OE2 3.08Å; S251-E254 PolarHBondContact O-N 3.39Å; S251-E254 VanDerWaalsContact OG-CD 3.24Å; S251-E254 WeakPolarHBondContact OG-CG 3.23Å; S251-E254 PolarHBondContact OG-N 3.26Å; S251-E254 PolarHBondContact OG-OE2 3.28Å; I252-E254 PolarHBondContact O-N 3.29Å; E254-R287 VanDerWaalsContact CD-NH2 3.34Å; E254-R287 IonicContact OE1-CZ 3.51Å; E254-R287 IonicContact OE1-NE 2.96Å; E254-R287 PolarHBondContact OE1-NE 3.18Å; E254-R287 IonicContact OE1-NH2 2.61Å; E254-R287 PolarHBondContact OE1-NH2 3.18Å; E254-R287 IonicContact OE2-CZ 2.85Å; E254-R287 IonicContact OE2-NE 2.8Å; E254-R287 PolarHBondContact OE2-NE 3.05Å; E254-F291 HydrophobicContact CB-CE2 4.23Å |
| 255 | T | 89.3 | Confident | 87 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -74.8 | -41.7 | -176.5 | -52.5 | 0 | 0 | 0 | 0 | 112.2 | V244 S251 I252 F258 L259 | V244-T255 HydrophobicContact CB-CG2 3.79Å; V244-T255 HydrophobicContact CG1-CG2 3.81Å; V244-T255 WeakPolarHBondContact CG1-OG1 3.24Å; V244-T255 HydrophobicContact CG2-CG2 3.9Å; S251-T255 WeakPolarHBondContact O-CB 3.47Å; S251-T255 PolarHBondContact O-N 3.18Å; S251-T255 PolarHBondContact O-OG1 3.09Å; I252-T255 PolarHBondContact O-N 3.45Å; T255-F258 PolarHBondContact O-N 3.11Å; T255-L259 HydrophobicContact CG2-CD1 4Å; T255-L259 HydrophobicContact CG2-CG 4.39Å; T255-L259 WeakPolarHBondContact O-CG 3.2Å; T255-L259 PolarHBondContact O-N 2.94Å |
| 256 | L | 90.1 | Very high | 86.9 | Confident | 5 Ų | 5 | 56.6 Ų | 56.6 | 3% | 0.026 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.7 | -47.5 | -176.7 | 177.6 | 67 | 0 | 0 | 0 | 112.1 | K221 A222 C225 L226 I252 F258 L259 I260 | K221-L256 HydrophobicContact CB-CD2 4.05Å; A222-L256 HydrophobicContact CB-CD2 4.44Å; C225-L256 HydrophobicContact CB-CD2 4.24Å; L226-L256 HydrophobicContact CD1-CD1 3.88Å; I252-L256 VanDerWaalsContact O-CB 3.26Å; I252-L256 WeakPolarHBondContact O-CB 3.33Å; I252-L256 PolarHBondContact O-N 3.34Å; L256-F258 VanDerWaalsContact C-N 3.32Å; L256-F258 PolarHBondContact O-N 3.33Å; L256-L259 PolarHBondContact O-N 3.25Å; L256-I260 HydrophobicContact CD1-CD1 4.12Å; L256-I260 HydrophobicContact CD1-CG1 4.45Å; L256-I260 HydrophobicContact CG-CD1 3.93Å; L256-I260 WeakPolarHBondContact O-CD1 3.41Å; L256-I260 VanDerWaalsContact O-CG1 3.29Å; L256-I260 WeakPolarHBondContact O-CG1 3.33Å; L256-I260 PolarHBondContact O-N 3.49Å |
| 257 | P | 89.8 | Confident | 86.9 | Confident | 64 Ų | 64 | 52.9 Ų | 52.9 | 42% | 0.416 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.7 | -38.5 | 174.8 | -25.8 | 37.5 | 0 | 0 | 0 | 113.3 | D253 I260 Q261 | D253-P257 WeakPolarHBondContact O-CD 3.38Å; D253-P257 WeakPolarHBondContact O-CG 3.43Å; P257-I260 PolarHBondContact O-N 2.68Å; P257-Q261 WeakPolarHBondContact O-CB 3.22Å; P257-Q261 PolarHBondContact O-N 3.1Å |
| 258 | F | 90.9 | Very high | 87 | Confident | 11 Ų | 11 | 57.3 Ų | 57.3 | 5% | 0.048 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58.6 | -50.5 | 174.5 | 159 | -105 | 0 | 0 | 0 | 111.9 | T255 L256 I260 Q261 C262 Y273 C277 F291 V294 A295 | T255-F258 PolarHBondContact O-N 3.11Å; L256-F258 VanDerWaalsContact C-N 3.32Å; L256-F258 PolarHBondContact O-N 3.33Å; F258-I260 VanDerWaalsContact C-N 3.26Å; F258-I260 PolarHBondContact O-N 3.47Å; F258-Q261 PolarHBondContact O-N 3.16Å; F258-Q261 VanDerWaalsContact O-N 3.15Å; F258-C262 WeakPolarHBondContact CE2-SG 3.26Å; F258-C262 PolarHBondContact O-N 3.33Å; F258-C262 PolarHBondContact O-SG 2.67Å; F258-C262 VanDerWaalsContact O-SG 3.32Å; F258-Y273 HydrophobicContact CZ-CD1 4.23Å; F258-C277 VanDerWaalsContact CE1-SG 3.54Å; F258-F291 HydrophobicContact CB-CD2 3.83Å; F258-F291 HydrophobicContact CB-CE2 4.14Å; F258-F291 HydrophobicContact CB-CG 4.33Å; F258-F291 HydrophobicContact CD1-CD1 4.22Å; F258-F291 HydrophobicContact CD1-CD2 4.39Å; F258-F291 HydrophobicContact CD1-CE1 4.4Å; F258-F291 HydrophobicContact CD1-CG 4.22Å; F258-F291 HydrophobicContact CD2-CB 3.68Å; F258-F291 HydrophobicContact CD2-CD2 4.29Å; F258-F291 AromaticContact CD2-CG 3.97Å; F258-F291 HydrophobicContact CD2-CG 3.97Å; F258-F291 HydrophobicContact CE1-CD1 4.33Å; F258-F291 HydrophobicContact CE2-CB 3.92Å; F258-F291 HydrophobicContact CE2-CG 4.35Å; F258-F291 WeakPolarHBondContact CE2-O 3.39Å; F258-F291 HydrophobicContact CG-CB 4.14Å; F258-F291 HydrophobicContact CG-CD1 4.35Å; F258-F291 AromaticContact CG-CD2 3.9Å; F258-F291 HydrophobicContact CG-CD2 3.9Å; F258-F291 HydrophobicContact CG-CE2 4.38Å; F258-F291 AromaticContact CG-CG 3.89Å; F258-F291 HydrophobicContact CG-CG 3.89Å; F258-V294 HydrophobicContact CZ-CB 4.12Å; F258-V294 HydrophobicContact CZ-CG1 3.9Å; F258-A295 HydrophobicContact CE2-CB 4.12Å |
| 259 | L | 89.5 | Confident | 87.4 | Confident | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.9 | -31.6 | 178.2 | -67.1 | 170.8 | 0 | 0 | 0 | 112.6 | R230 Y237 A240 T255 L256 L264 | R230-L259 PolarHBondContact NH2-O 3.14Å; Y237-L259 HydrophobicContact CD1-CB 3.87Å; Y237-L259 HydrophobicContact CD1-CD1 4.45Å; Y237-L259 HydrophobicContact CE1-CB 3.92Å; A240-L259 HydrophobicContact CB-CD1 3.62Å; T255-L259 HydrophobicContact CG2-CD1 4Å; T255-L259 HydrophobicContact CG2-CG 4.39Å; T255-L259 WeakPolarHBondContact O-CG 3.2Å; T255-L259 PolarHBondContact O-N 2.94Å; L256-L259 PolarHBondContact O-N 3.25Å; L259-L264 HydrophobicContact CD2-CD1 4.12Å |
| 260 | I | 89.4 | Confident | 87.8 | Confident | 30 Ų | 30 | 51.3 Ų | 51.3 | 15% | 0.154 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.5 | -50 | 172.1 | -65.9 | 161.1 | 0 | 0 | 0 | 109.8 | C225 L226 R230 L256 P257 F258 C262 N263 | C225-I260 HydrophobicContact CB-CD1 3.75Å; L226-I260 HydrophobicContact CD1-CD1 4.11Å; L226-I260 HydrophobicContact CD1-CG1 4.08Å; R230-I260 PolarHBondContact NH1-O 3.24Å; R230-I260 PolarHBondContact NH2-O 2.93Å; L256-I260 HydrophobicContact CD1-CD1 4.12Å; L256-I260 HydrophobicContact CD1-CG1 4.45Å; L256-I260 HydrophobicContact CG-CD1 3.93Å; L256-I260 WeakPolarHBondContact O-CD1 3.41Å; L256-I260 VanDerWaalsContact O-CG1 3.29Å; L256-I260 WeakPolarHBondContact O-CG1 3.33Å; L256-I260 PolarHBondContact O-N 3.49Å; P257-I260 PolarHBondContact O-N 2.68Å; F258-I260 VanDerWaalsContact C-N 3.26Å; F258-I260 PolarHBondContact O-N 3.47Å; I260-C262 VanDerWaalsContact C-N 3.28Å; I260-C262 PolarHBondContact O-N 3.12Å; I260-N263 PolarHBondContact O-N 2.98Å; I260-N263 PolarHBondContact O-OD1 3.3Å |
| 261 | Q | 88.8 | Confident | 88.2 | Confident | 154 Ų | 154 | 52.4 Ų | 52.4 | 72% | 0.72 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -57.9 | -36.4 | -179.3 | -175.8 | 177.3 | -0.1 | 0 | 0 | 113 | P257 F258 N263 | P257-Q261 WeakPolarHBondContact O-CB 3.22Å; P257-Q261 PolarHBondContact O-N 3.1Å; F258-Q261 PolarHBondContact O-N 3.16Å; F258-Q261 VanDerWaalsContact O-N 3.15Å; Q261-N263 PolarHBondContact O-N 2.92Å; Q261-N263 VanDerWaalsContact O-N 3.09Å |
| 262 | C | 86.3 | Confident | 88.5 | Confident | 24 Ų | 24 | 53 Ų | 53 | 16% | 0.162 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -2.7 | 176.7 | -66 | 0 | 0 | 0 | 0 | 114.7 | F258 I260 L264 Y273 | F258-C262 WeakPolarHBondContact CE2-SG 3.26Å; F258-C262 PolarHBondContact O-N 3.33Å; F258-C262 PolarHBondContact O-SG 2.67Å; F258-C262 VanDerWaalsContact O-SG 3.32Å; I260-C262 VanDerWaalsContact C-N 3.28Å; I260-C262 PolarHBondContact O-N 3.12Å; C262-L264 HydrophobicContact CB-CD1 4.38Å; C262-L264 HydrophobicContact CB-CD2 3.72Å; C262-L264 HydrophobicContact CB-CG 3.88Å; C262-L264 WeakPolarHBondContact O-CD2 3.49Å; C262-L264 PolarHBondContact O-N 3.2Å; C262-Y273 HydrophobicContact CB-CD1 4.28Å; C262-Y273 HydrophobicContact CB-CE1 3.84Å |
| 263 | N | 83.7 | Confident | 88.9 | Confident | 128 Ų | 128 | 53.3 Ų | 53.3 | 68% | 0.684 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 28.6 | 173.9 | -74.8 | -32.7 | 0 | 0 | 0 | 116.1 | R230 I260 Q261 S265 | R230-N263 PolarHBondContact NH1-OD1 3.02Å; I260-N263 PolarHBondContact O-N 2.98Å; I260-N263 PolarHBondContact O-OD1 3.3Å; Q261-N263 PolarHBondContact O-N 2.92Å; Q261-N263 VanDerWaalsContact O-N 3.09Å; N263-S265 PolarHBondContact O-N 2.96Å |
| 264 | L | 86.1 | Confident | 89.3 | Confident | 8 Ų | 8 | 49.1 Ų | 49.1 | 4% | 0.042 | 27% | 0.266 | C | S | . | . | trans | -57.7 | 125.5 | 176.6 | -43.1 | -178.1 | 0 | 0 | 0 | 111.2 | R230 Y237 L259 C262 V269 I270 Y273 | R230-L264 PolarHBondContact NE-O 3.06Å; R230-L264 PolarHBondContact NH2-O 2.9Å; R230-L264 VanDerWaalsContact NH2-O 3.17Å; Y237-L264 PolarHBondContact OH-O 2.95Å; L259-L264 HydrophobicContact CD2-CD1 4.12Å; C262-L264 HydrophobicContact CB-CD1 4.38Å; C262-L264 HydrophobicContact CB-CD2 3.72Å; C262-L264 HydrophobicContact CB-CG 3.88Å; C262-L264 WeakPolarHBondContact O-CD2 3.49Å; C262-L264 PolarHBondContact O-N 3.2Å; L264-V269 HydrophobicContact CD2-CG1 3.93Å; L264-I270 HydrophobicContact CB-CG1 3.64Å; L264-I270 HydrophobicContact CD1-CB 4.39Å; L264-I270 HydrophobicContact CD1-CG1 4.01Å; L264-I270 HydrophobicContact CG-CG1 4.46Å; L264-Y273 HydrophobicContact CD1-CD1 3.95Å; L264-Y273 HydrophobicContact CD1-CD2 4.23Å; L264-Y273 HydrophobicContact CD1-CE1 4.4Å; L264-Y273 HydrophobicContact CD1-CG 3.83Å; L264-Y273 HydrophobicContact CD2-CD1 4.06Å; L264-Y273 HydrophobicContact CD2-CD2 4.17Å; L264-Y273 HydrophobicContact CD2-CE1 3.66Å; L264-Y273 HydrophobicContact CD2-CE2 3.78Å; L264-Y273 HydrophobicContact CD2-CG 4.28Å; L264-Y273 VanDerWaalsContact CD2-CZ 3.46Å | ||
| 265 | S | 80.7 | Confident | 89.7 | Confident | 98 Ų | 98 | 51.4 Ų | 51.4 | 69% | 0.685 | 28% | 0.276 | S | S | * | . | trans | -106.3 | -14.7 | 178.8 | 52 | 0 | 0 | 0 | 0 | 113.9 | H233 N263 | H233-S265 PolarHBondContact CD2-O 2.7Å; H233-S265 VanDerWaalsContact CD2-O 3.23Å; H233-S265 PolarHBondContact NE2-O 3.22Å; N263-S265 PolarHBondContact O-N 2.96Å | ||
| 266 | D | 88.1 | Confident | 89.9 | Confident | 73 Ų | 73 | 51.9 Ų | 51.9 | 39% | 0.39 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -113.5 | 133.2 | -175.7 | 173.8 | 8.2 | 0 | 0 | 0 | 111.7 | M268 V269 I270 | D266-M268 VanDerWaalsContact C-N 3.28Å; D266-M268 PolarHBondContact O-N 3.2Å; D266-M268 PolarHBondContact OD1-N 2.99Å; D266-V269 HydrophobicContact CB-CB 4.29Å; D266-V269 HydrophobicContact CB-CG2 3.9Å; D266-V269 PolarHBondContact O-N 3.05Å; D266-I270 WeakPolarHBondContact O-CD1 3.4Å; D266-I270 VanDerWaalsContact O-CG1 3.25Å; D266-I270 WeakPolarHBondContact O-CG1 3.24Å; D266-I270 PolarHBondContact O-N 3.28Å |
| 267 | K | 90.3 | Very high | 90.1 | Very high | 85 Ų | 85 | 51.6 Ų | 51.6 | 37% | 0.37 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -37.4 | -53.2 | 165.8 | 164.7 | -177.6 | 178.8 | 171.7 | 0 | 113.3 | Y236 I270 L271 | Y236-K267 HydrophobicContact CD1-CD 4.39Å; Y236-K267 HydrophobicContact CD1-CG 3.81Å; Y236-K267 HydrophobicContact CD2-CB 3.94Å; Y236-K267 HydrophobicContact CD2-CD 4.48Å; Y236-K267 HydrophobicContact CD2-CG 3.96Å; Y236-K267 HydrophobicContact CE1-CD 3.74Å; Y236-K267 HydrophobicContact CE1-CG 3.67Å; Y236-K267 HydrophobicContact CE2-CB 4.01Å; Y236-K267 HydrophobicContact CE2-CD 3.85Å; Y236-K267 HydrophobicContact CE2-CG 3.83Å; Y236-K267 HydrophobicContact CG-CB 4.25Å; Y236-K267 HydrophobicContact CG-CG 3.95Å; Y236-K267 VanDerWaalsContact CZ-CD 3.43Å; Y236-K267 WeakPolarHBondContact OH-CD 3.42Å; Y236-K267 WeakPolarHBondContact OH-CE 3.38Å; Y236-K267 PolarHBondContact OH-NZ 3.06Å; K267-I270 PolarHBondContact O-N 2.96Å; K267-L271 WeakPolarHBondContact O-CG 3.18Å; K267-L271 PolarHBondContact O-N 3.18Å |
| 268 | M | 90.1 | Very high | 90.3 | Very high | 121 Ų | 121 | 48.8 Ų | 48.8 | 60% | 0.596 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -71.2 | -39.2 | -171.2 | -66.1 | -56.6 | -68.3 | 0 | 0 | 111 | D266 L271 S272 | D266-M268 VanDerWaalsContact C-N 3.28Å; D266-M268 PolarHBondContact O-N 3.2Å; D266-M268 PolarHBondContact OD1-N 2.99Å; M268-L271 PolarHBondContact O-N 2.92Å; M268-S272 WeakPolarHBondContact O-CB 3.34Å; M268-S272 PolarHBondContact O-N 3.41Å |
| 269 | V | 91.1 | Very high | 90.4 | Very high | 54 Ų | 54 | 50.3 Ų | 50.3 | 33% | 0.327 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.2 | -41.7 | 175.2 | -173.4 | 0 | 0 | 0 | 0 | 111.3 | L264 D266 L271 S272 Y273 | L264-V269 HydrophobicContact CD2-CG1 3.93Å; D266-V269 HydrophobicContact CB-CB 4.29Å; D266-V269 HydrophobicContact CB-CG2 3.9Å; D266-V269 PolarHBondContact O-N 3.05Å; V269-L271 VanDerWaalsContact C-N 3.32Å; V269-L271 PolarHBondContact O-N 3.1Å; V269-S272 PolarHBondContact O-N 3.1Å; V269-Y273 HydrophobicContact CG1-CD2 3.71Å; V269-Y273 HydrophobicContact CG1-CE2 3.41Å; V269-Y273 VanDerWaalsContact CG1-CE2 3.41Å; V269-Y273 VanDerWaalsContact O-CD2 3.23Å; V269-Y273 WeakPolarHBondContact O-CD2 3.41Å; V269-Y273 PolarHBondContact O-N 3.01Å |
| 270 | I | 91.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.4 | -44.6 | 175.3 | -65.6 | 156.6 | 0 | 0 | 0 | 111.6 | H233 Y237 A240 L264 D266 K267 S274 | H233-I270 HydrophobicContact CB-CD1 4Å; Y237-I270 HydrophobicContact CD1-CG2 4.34Å; Y237-I270 HydrophobicContact CD2-CD1 4.13Å; Y237-I270 HydrophobicContact CE1-CD1 4.39Å; Y237-I270 HydrophobicContact CE1-CG1 4.24Å; Y237-I270 HydrophobicContact CE1-CG2 4.39Å; Y237-I270 HydrophobicContact CE2-CD1 3.41Å; Y237-I270 VanDerWaalsContact CE2-CD1 3.41Å; Y237-I270 HydrophobicContact CE2-CG1 4.15Å; Y237-I270 HydrophobicContact CG-CG2 4.45Å; Y237-I270 WeakPolarHBondContact OH-CD1 3.25Å; A240-I270 HydrophobicContact CB-CG2 3.87Å; L264-I270 HydrophobicContact CB-CG1 3.64Å; L264-I270 HydrophobicContact CD1-CB 4.39Å; L264-I270 HydrophobicContact CD1-CG1 4.01Å; L264-I270 HydrophobicContact CG-CG1 4.46Å; D266-I270 WeakPolarHBondContact O-CD1 3.4Å; D266-I270 VanDerWaalsContact O-CG1 3.25Å; D266-I270 WeakPolarHBondContact O-CG1 3.24Å; D266-I270 PolarHBondContact O-N 3.28Å; K267-I270 PolarHBondContact O-N 2.96Å; I270-S274 PolarHBondContact O-N 3.42Å |
| 271 | L | 92.6 | Very high | 90.6 | Very high | 33 Ų | 33 | 48.9 Ų | 48.9 | 17% | 0.173 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -69.9 | -44 | 178.9 | -64.8 | 176.6 | 0 | 0 | 0 | 111.6 | Y236 K239 K267 M268 V269 Y273 S274 E275 | Y236-L271 HydrophobicContact CD1-CD1 4.18Å; Y236-L271 HydrophobicContact CD1-CD2 4.5Å; Y236-L271 HydrophobicContact CD1-CG 4.47Å; K239-L271 HydrophobicContact CB-CD2 4.18Å; K239-L271 HydrophobicContact CD-CD2 3.89Å; K239-L271 HydrophobicContact CG-CD2 3.98Å; K267-L271 WeakPolarHBondContact O-CG 3.18Å; K267-L271 PolarHBondContact O-N 3.18Å; M268-L271 PolarHBondContact O-N 2.92Å; V269-L271 VanDerWaalsContact C-N 3.32Å; V269-L271 PolarHBondContact O-N 3.1Å; L271-Y273 PolarHBondContact O-N 2.92Å; L271-S274 WeakPolarHBondContact O-CB 3.38Å; L271-S274 PolarHBondContact O-N 2.95Å; L271-S274 VanDerWaalsContact O-N 3.11Å; L271-S274 PolarHBondContact O-OG 2.92Å; L271-E275 PolarHBondContact O-N 3.09Å |
| 272 | S | 93.3 | Very high | 90.7 | Very high | 52 Ų | 52 | 47.7 Ų | 47.7 | 36% | 0.364 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -56.5 | -49.1 | 176.7 | 176.2 | 0 | 0 | 0 | 0 | 112.2 | M268 V269 S274 E275 V276 | M268-S272 WeakPolarHBondContact O-CB 3.34Å; M268-S272 PolarHBondContact O-N 3.41Å; V269-S272 PolarHBondContact O-N 3.1Å; S272-S274 VanDerWaalsContact C-N 3.25Å; S272-S274 PolarHBondContact O-N 3.24Å; S272-E275 PolarHBondContact O-N 3.35Å; S272-E275 VanDerWaalsContact O-N 3.09Å; S272-V276 WeakPolarHBondContact O-CG2 3.46Å; S272-V276 PolarHBondContact O-N 2.93Å |
| 273 | Y | 93.8 | Very high | 91 | Very high | 15 Ų | 15 | 51 Ų | 51 | 6% | 0.059 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -56.9 | -40.5 | 175.9 | -87.4 | -125 | 0 | 0 | 0 | 112 | F258 C262 L264 V269 L271 E275 C277 V294 K298 | F258-Y273 HydrophobicContact CZ-CD1 4.23Å; C262-Y273 HydrophobicContact CB-CD1 4.28Å; C262-Y273 HydrophobicContact CB-CE1 3.84Å; L264-Y273 HydrophobicContact CD1-CD1 3.95Å; L264-Y273 HydrophobicContact CD1-CD2 4.23Å; L264-Y273 HydrophobicContact CD1-CE1 4.4Å; L264-Y273 HydrophobicContact CD1-CG 3.83Å; L264-Y273 HydrophobicContact CD2-CD1 4.06Å; L264-Y273 HydrophobicContact CD2-CD2 4.17Å; L264-Y273 HydrophobicContact CD2-CE1 3.66Å; L264-Y273 HydrophobicContact CD2-CE2 3.78Å; L264-Y273 HydrophobicContact CD2-CG 4.28Å; L264-Y273 VanDerWaalsContact CD2-CZ 3.46Å; V269-Y273 HydrophobicContact CG1-CD2 3.71Å; V269-Y273 HydrophobicContact CG1-CE2 3.41Å; V269-Y273 VanDerWaalsContact CG1-CE2 3.41Å; V269-Y273 VanDerWaalsContact O-CD2 3.23Å; V269-Y273 WeakPolarHBondContact O-CD2 3.41Å; V269-Y273 PolarHBondContact O-N 3.01Å; L271-Y273 PolarHBondContact O-N 2.92Å; Y273-E275 VanDerWaalsContact C-N 3.33Å; Y273-E275 PolarHBondContact O-N 3.36Å; Y273-C277 WeakPolarHBondContact O-CB 3.26Å; Y273-C277 PolarHBondContact O-N 2.93Å; Y273-C277 PolarHBondContact O-SG 3.44Å; Y273-C277 VanDerWaalsContact O-SG 3.34Å; Y273-V294 HydrophobicContact CD1-CG1 3.79Å; Y273-V294 HydrophobicContact CE1-CG1 4.25Å; Y273-V294 HydrophobicContact CG-CG1 4.28Å; Y273-K298 WeakPolarHBondContact CE2-O 3.41Å; Y273-K298 WeakPolarHBondContact OH-CA 3.44Å; Y273-K298 PolarHBondContact OH-O 3.32Å; Y273-K298 VanDerWaalsContact OH-O 3.07Å |
| 274 | S | 93.9 | Very high | 91.2 | Very high | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.6 | -34.4 | 179.3 | 84.5 | 0 | 0 | 0 | 0 | 113.1 | A240 V244 I270 L271 S272 S278 | A240-S274 VanDerWaalsContact CA-CB 3.44Å; V244-S274 WeakPolarHBondContact CG2-O 3.39Å; I270-S274 PolarHBondContact O-N 3.42Å; L271-S274 WeakPolarHBondContact O-CB 3.38Å; L271-S274 PolarHBondContact O-N 2.95Å; L271-S274 VanDerWaalsContact O-N 3.11Å; L271-S274 PolarHBondContact O-OG 2.92Å; S272-S274 VanDerWaalsContact C-N 3.25Å; S272-S274 PolarHBondContact O-N 3.24Å; S274-S278 VanDerWaalsContact O-CB 3.22Å; S274-S278 WeakPolarHBondContact O-CB 3.17Å; S274-S278 PolarHBondContact O-N 3.41Å |
| 275 | E | 94 | Very high | 91.4 | Very high | 120 Ų | 120 | 48.9 Ų | 48.9 | 56% | 0.561 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -74.9 | -43.8 | 179.4 | -174.7 | 158.4 | -146 | 0 | 0 | 111 | L271 S272 Y273 S278 N279 | L271-E275 PolarHBondContact O-N 3.09Å; S272-E275 PolarHBondContact O-N 3.35Å; S272-E275 VanDerWaalsContact O-N 3.09Å; Y273-E275 VanDerWaalsContact C-N 3.33Å; Y273-E275 PolarHBondContact O-N 3.36Å; E275-S278 WeakPolarHBondContact O-CB 3.19Å; E275-S278 PolarHBondContact O-N 2.84Å; E275-S278 VanDerWaalsContact O-N 3.17Å; E275-N279 WeakPolarHBondContact O-CB 3.5Å; E275-N279 PolarHBondContact O-N 3.17Å; E275-N279 PolarHBondContact O-ND2 3.01Å |
| 276 | V | 94.3 | Very high | 91.8 | Very high | 10 Ų | 10 | 47.2 Ų | 47.2 | 6% | 0.061 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61 | -47.3 | 172.9 | 174.6 | 0 | 0 | 0 | 0 | 111.1 | S272 S278 N279 L280 V294 G299 Q301 | S272-V276 WeakPolarHBondContact O-CG2 3.46Å; S272-V276 PolarHBondContact O-N 2.93Å; V276-S278 VanDerWaalsContact C-N 3.34Å; V276-S278 PolarHBondContact O-N 3.47Å; V276-N279 PolarHBondContact O-N 3.34Å; V276-L280 HydrophobicContact CG1-CD1 3.81Å; V276-L280 HydrophobicContact CG1-CG 4.42Å; V276-L280 WeakPolarHBondContact O-CB 3.24Å; V276-L280 VanDerWaalsContact O-CG 3.28Å; V276-L280 WeakPolarHBondContact O-CG 3.49Å; V276-L280 PolarHBondContact O-N 3.3Å; V276-V294 HydrophobicContact CG1-CG2 3.88Å; V276-G299 WeakPolarHBondContact CG2-O 3.48Å; V276-Q301 HydrophobicContact CB-CB 4.5Å; V276-Q301 HydrophobicContact CG1-CB 3.87Å; V276-Q301 HydrophobicContact CG1-CG 4.09Å; V276-Q301 HydrophobicContact CG2-CB 3.9Å |
| 277 | C | 93.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.1 | -44.1 | 172 | -76.4 | 0 | 0 | 0 | 0 | 112.2 | V244 F258 Y273 N279 L280 L281 I290 F291 | V244-C277 HydrophobicContact CG2-CB 3.97Å; F258-C277 VanDerWaalsContact CE1-SG 3.54Å; Y273-C277 WeakPolarHBondContact O-CB 3.26Å; Y273-C277 PolarHBondContact O-N 2.93Å; Y273-C277 PolarHBondContact O-SG 3.44Å; Y273-C277 VanDerWaalsContact O-SG 3.34Å; C277-N279 VanDerWaalsContact C-N 3.33Å; C277-N279 PolarHBondContact O-N 3.46Å; C277-L280 PolarHBondContact O-N 2.77Å; C277-L281 WeakPolarHBondContact O-CB 3.41Å; C277-L281 WeakPolarHBondContact O-CD1 3.49Å; C277-L281 WeakPolarHBondContact O-CG 3.25Å; C277-L281 PolarHBondContact O-N 2.74Å; C277-I290 HydrophobicContact CB-CG2 4.48Å; C277-F291 HydrophobicContact CB-CE1 4.45Å |
| 278 | S | 93.8 | Very high | 91.9 | Very high | 5 Ų | 5 | 46.6 Ų | 46.6 | 4% | 0.035 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61 | -41.2 | 177.7 | -168.6 | 0 | 0 | 0 | 0 | 111.8 | T243 T247 S274 E275 V276 K282 | T243-S278 PolarHBondContact O-OG 3.1Å; T243-S278 VanDerWaalsContact O-OG 3.1Å; T247-S278 VanDerWaalsContact CG2-OG 3.25Å; T247-S278 WeakPolarHBondContact CG2-OG 3.39Å; S274-S278 VanDerWaalsContact O-CB 3.22Å; S274-S278 WeakPolarHBondContact O-CB 3.17Å; S274-S278 PolarHBondContact O-N 3.41Å; E275-S278 WeakPolarHBondContact O-CB 3.19Å; E275-S278 PolarHBondContact O-N 2.84Å; E275-S278 VanDerWaalsContact O-N 3.17Å; V276-S278 VanDerWaalsContact C-N 3.34Å; V276-S278 PolarHBondContact O-N 3.47Å; S278-K282 WeakPolarHBondContact O-CD 3.37Å; S278-K282 WeakPolarHBondContact O-CG 3.5Å; S278-K282 PolarHBondContact O-N 3.45Å; S278-K282 WeakPolarHBondContact OG-CE 3.44Å; S278-K282 PolarHBondContact OG-NZ 2.98Å |
| 279 | N | 94.1 | Very high | 91.9 | Very high | 42 Ų | 42 | 45.6 Ų | 45.6 | 23% | 0.225 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -69 | -44.8 | 178.9 | -67.4 | -16.3 | 0 | 0 | 0 | 112.2 | E275 V276 C277 L281 K282 M283 Q301 | E275-N279 WeakPolarHBondContact O-CB 3.5Å; E275-N279 PolarHBondContact O-N 3.17Å; E275-N279 PolarHBondContact O-ND2 3.01Å; V276-N279 PolarHBondContact O-N 3.34Å; C277-N279 VanDerWaalsContact C-N 3.33Å; C277-N279 PolarHBondContact O-N 3.46Å; N279-L281 VanDerWaalsContact C-N 3.34Å; N279-L281 PolarHBondContact O-N 3.25Å; N279-K282 WeakPolarHBondContact O-CB 3.28Å; N279-K282 PolarHBondContact O-N 3.4Å; N279-K282 PolarHBondContact OD1-NZ 3.1Å; N279-M283 HydrophobicContact CB-CE 4.19Å; N279-M283 WeakPolarHBondContact O-CE 3.41Å; N279-M283 WeakPolarHBondContact O-CG 3.2Å; N279-M283 PolarHBondContact O-N 3.15Å; N279-Q301 PolarHBondContact ND2-OE1 3.49Å |
| 280 | L | 91.6 | Very high | 92 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64 | -38.1 | 176.1 | -65.9 | 170.4 | 0 | 0 | 0 | 111.9 | V276 C277 M283 G284 F285 I290 V294 A304 L305 L308 | V276-L280 HydrophobicContact CG1-CD1 3.81Å; V276-L280 HydrophobicContact CG1-CG 4.42Å; V276-L280 WeakPolarHBondContact O-CB 3.24Å; V276-L280 VanDerWaalsContact O-CG 3.28Å; V276-L280 WeakPolarHBondContact O-CG 3.49Å; V276-L280 PolarHBondContact O-N 3.3Å; C277-L280 PolarHBondContact O-N 2.77Å; L280-M283 HydrophobicContact CD2-CE 3.9Å; L280-M283 HydrophobicContact CG-CE 4.49Å; L280-M283 PolarHBondContact O-N 3.45Å; L280-G284 PolarHBondContact O-N 2.79Å; L280-F285 HydrophobicContact CD2-CD2 4.37Å; L280-I290 HydrophobicContact CB-CB 4.43Å; L280-I290 HydrophobicContact CB-CD1 3.83Å; L280-I290 HydrophobicContact CB-CG1 3.9Å; L280-I290 HydrophobicContact CB-CG2 3.7Å; L280-I290 HydrophobicContact CD1-CG2 3.83Å; L280-I290 HydrophobicContact CG-CG2 4.42Å; L280-V294 HydrophobicContact CD1-CG2 3.48Å; L280-V294 VanDerWaalsContact CD1-CG2 3.48Å; L280-A304 HydrophobicContact CD1-CB 4.04Å; L280-L305 HydrophobicContact CD2-CD2 3.43Å; L280-L305 VanDerWaalsContact CD2-CD2 3.43Å; L280-L305 HydrophobicContact CD2-CG 3.72Å; L280-L308 HydrophobicContact CD1-CD1 4.09Å; L280-L308 HydrophobicContact CD2-CD1 3.82Å; L280-L308 HydrophobicContact CG-CD1 4.42Å |
| 281 | L | 91.6 | Very high | 92 | Very high | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.6 | -41.4 | 173.3 | -74.2 | 164.4 | 0 | 0 | 0 | 111.6 | V244 T247 K249 S250 C277 N279 M283 G284 R287 I290 | V244-L281 HydrophobicContact CG1-CD1 3.7Å; T247-L281 HydrophobicContact CG2-CB 4.11Å; T247-L281 HydrophobicContact CG2-CD1 4.47Å; K249-L281 HydrophobicContact CB-CB 4.49Å; K249-L281 HydrophobicContact CB-CD2 3.95Å; K249-L281 HydrophobicContact CD-CB 4.47Å; K249-L281 WeakPolarHBondContact CD-O 3.13Å; K249-L281 WeakPolarHBondContact CE-O 3.33Å; K249-L281 PolarHBondContact NZ-O 3.42Å; S250-L281 VanDerWaalsContact OG-CD1 3.25Å; S250-L281 WeakPolarHBondContact OG-CD1 3.25Å; C277-L281 WeakPolarHBondContact O-CB 3.41Å; C277-L281 WeakPolarHBondContact O-CD1 3.49Å; C277-L281 WeakPolarHBondContact O-CG 3.25Å; C277-L281 PolarHBondContact O-N 2.74Å; N279-L281 VanDerWaalsContact C-N 3.34Å; N279-L281 PolarHBondContact O-N 3.25Å; L281-M283 VanDerWaalsContact C-N 3.32Å; L281-M283 PolarHBondContact O-N 3.42Å; L281-G284 PolarHBondContact O-N 3.42Å; L281-G284 VanDerWaalsContact O-N 3.1Å; L281-R287 HydrophobicContact CD2-CB 4.16Å; L281-R287 HydrophobicContact CD2-CG 4.41Å; L281-I290 HydrophobicContact CB-CD1 4.33Å; L281-I290 HydrophobicContact CD2-CD1 3.6Å; L281-I290 HydrophobicContact CG-CD1 3.71Å |
| 282 | K | 91.6 | Very high | 91.9 | Very high | 128 Ų | 128 | 47.9 Ų | 47.9 | 56% | 0.557 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -59.1 | -43.3 | 173.7 | -71.1 | 162.9 | -158.5 | 159.9 | 0 | 111.4 | T247 S278 N279 G284 | T247-K282 HydrophobicContact CG2-CG 4.36Å; S278-K282 WeakPolarHBondContact O-CD 3.37Å; S278-K282 WeakPolarHBondContact O-CG 3.5Å; S278-K282 PolarHBondContact O-N 3.45Å; S278-K282 WeakPolarHBondContact OG-CE 3.44Å; S278-K282 PolarHBondContact OG-NZ 2.98Å; N279-K282 WeakPolarHBondContact O-CB 3.28Å; N279-K282 PolarHBondContact O-N 3.4Å; N279-K282 PolarHBondContact OD1-NZ 3.1Å; K282-G284 PolarHBondContact O-N 3.02Å; K282-G284 VanDerWaalsContact O-N 3.15Å |
| 283 | M | 90.9 | Very high | 91.8 | Very high | 95 Ų | 95 | 45.5 Ų | 45.5 | 47% | 0.468 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.7 | -16 | 176 | -73.2 | -177.5 | -102 | 0 | 0 | 114.2 | N279 L280 L281 F285 L305 | N279-M283 HydrophobicContact CB-CE 4.19Å; N279-M283 WeakPolarHBondContact O-CE 3.41Å; N279-M283 WeakPolarHBondContact O-CG 3.2Å; N279-M283 PolarHBondContact O-N 3.15Å; L280-M283 HydrophobicContact CD2-CE 3.9Å; L280-M283 HydrophobicContact CG-CE 4.49Å; L280-M283 PolarHBondContact O-N 3.45Å; L281-M283 VanDerWaalsContact C-N 3.32Å; L281-M283 PolarHBondContact O-N 3.42Å; M283-F285 HydrophobicContact CB-CD2 3.85Å; M283-F285 HydrophobicContact CB-CE2 3.85Å; M283-F285 HydrophobicContact SD-CE2 4.3Å; M283-L305 HydrophobicContact CE-CD1 4.28Å; M283-L305 HydrophobicContact CE-CD2 4.05Å; M283-L305 HydrophobicContact SD-CD1 4.48Å; M283-L305 HydrophobicContact SD-CD2 3.8Å |
| 284 | G | 89.1 | Confident | 91.8 | Very high | 49 Ų | 49 | 44.8 Ų | 44.8 | 51% | 0.505 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 96.3 | 5.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | L280 L281 K282 | L280-G284 PolarHBondContact O-N 2.79Å; L281-G284 PolarHBondContact O-N 3.42Å; L281-G284 VanDerWaalsContact O-N 3.1Å; K282-G284 PolarHBondContact O-N 3.02Å; K282-G284 VanDerWaalsContact O-N 3.15Å |
| 285 | F | 90 | Very high | 91.7 | Very high | 42 Ų | 42 | 46.6 Ų | 46.6 | 18% | 0.184 | 25% | 0.249 | C | C | . | . | trans | -61.2 | 149.7 | 170.4 | -63.6 | -78.7 | 0 | 0 | 0 | 111 | L280 M283 I290 L305 L308 L309 | L280-F285 HydrophobicContact CD2-CD2 4.37Å; M283-F285 HydrophobicContact CB-CD2 3.85Å; M283-F285 HydrophobicContact CB-CE2 3.85Å; M283-F285 HydrophobicContact SD-CE2 4.3Å; F285-I290 HydrophobicContact CB-CD1 3.81Å; F285-I290 HydrophobicContact CB-CG1 3.68Å; F285-I290 VanDerWaalsContact O-CD1 3.26Å; F285-I290 WeakPolarHBondContact O-CD1 3.39Å; F285-L305 HydrophobicContact CE2-CD2 3.65Å; F285-L305 HydrophobicContact CZ-CD2 4.08Å; F285-L308 HydrophobicContact CB-CD1 4.41Å; F285-L308 HydrophobicContact CD1-CB 3.9Å; F285-L308 HydrophobicContact CD1-CD1 4.45Å; F285-L308 HydrophobicContact CD2-CD1 4.31Å; F285-L308 HydrophobicContact CE1-CB 3.84Å; F285-L308 HydrophobicContact CG-CB 4.42Å; F285-L308 HydrophobicContact CG-CD1 4.15Å; F285-L308 HydrophobicContact CZ-CB 4.32Å; F285-L309 HydrophobicContact CE1-CD2 4.16Å; F285-L309 HydrophobicContact CZ-CD2 3.92Å; F285-L309 HydrophobicContact CZ-CG 4.31Å | ||
| 286 | P | 89.7 | Confident | 91.5 | Very high | 62 Ų | 62 | 44.3 Ų | 44.3 | 40% | 0.403 | 24% | 0.243 | S | C | . | . | trans | -73.2 | 133.2 | -179.5 | 29.6 | -34.5 | 0 | 0 | 0 | 111.2 | P288 Q289 I290 | P286-P288 VanDerWaalsContact C-CD 3.47Å; P286-Q289 HydrophobicContact CG-CB 4.11Å; P286-Q289 VanDerWaalsContact CG-CD 3.4Å; P286-Q289 HydrophobicContact CG-CG 3.87Å; P286-Q289 PolarHBondContact O-N 2.91Å; P286-Q289 VanDerWaalsContact O-N 3.09Å; P286-I290 PolarHBondContact O-N 3.32Å | ||
| 287 | R | 89.6 | Confident | 91.4 | Very high | 67 Ų | 67 | 45 Ų | 45 | 25% | 0.253 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -40.5 | -51.1 | -178.6 | -172.2 | -172.3 | 66.8 | 59.9 | -2.6 | 115.6 | S250 E254 L281 Q289 I290 F291 | S250-R287 WeakPolarHBondContact OG-CD 3.45Å; S250-R287 VanDerWaalsContact OG-CG 3.32Å; S250-R287 WeakPolarHBondContact OG-CG 3.45Å; E254-R287 VanDerWaalsContact CD-NH2 3.34Å; E254-R287 IonicContact OE1-CZ 3.51Å; E254-R287 IonicContact OE1-NE 2.96Å; E254-R287 PolarHBondContact OE1-NE 3.18Å; E254-R287 IonicContact OE1-NH2 2.61Å; E254-R287 PolarHBondContact OE1-NH2 3.18Å; E254-R287 IonicContact OE2-CZ 2.85Å; E254-R287 IonicContact OE2-NE 2.8Å; E254-R287 PolarHBondContact OE2-NE 3.05Å; L281-R287 HydrophobicContact CD2-CB 4.16Å; L281-R287 HydrophobicContact CD2-CG 4.41Å; R287-Q289 PolarHBondContact O-N 3.47Å; R287-I290 PolarHBondContact O-N 2.92Å; R287-F291 HydrophobicContact CG-CD1 4.35Å; R287-F291 HydrophobicContact CG-CD2 4.18Å; R287-F291 HydrophobicContact CG-CE1 3.96Å; R287-F291 HydrophobicContact CG-CE2 3.78Å; R287-F291 HydrophobicContact CG-CG 4.46Å; R287-F291 HydrophobicContact CG-CZ 3.65Å; R287-F291 PolarHBondContact O-N 2.97Å |
| 288 | P | 89.7 | Confident | 91.2 | Very high | 78 Ų | 78 | 52.8 Ų | 52.8 | 51% | 0.506 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62 | -42 | -177.3 | 22.6 | -33.9 | 0 | 0 | 0 | 112.9 | P286 I290 F291 E292 | P286-P288 VanDerWaalsContact C-CD 3.47Å; P288-I290 VanDerWaalsContact C-N 3.35Å; P288-I290 PolarHBondContact O-N 3.04Å; P288-F291 PolarHBondContact O-N 3.29Å; P288-E292 WeakPolarHBondContact O-CB 3.4Å; P288-E292 PolarHBondContact O-N 2.87Å |
| 289 | Q | 90.6 | Very high | 90.9 | Very high | 101 Ų | 101 | 53 Ų | 53 | 47% | 0.472 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66.5 | -38.1 | 178.1 | -63.3 | 177.8 | -8.3 | 0 | 0 | 111.2 | P286 R287 E292 A293 L308 | P286-Q289 HydrophobicContact CG-CB 4.11Å; P286-Q289 VanDerWaalsContact CG-CD 3.4Å; P286-Q289 HydrophobicContact CG-CG 3.87Å; P286-Q289 PolarHBondContact O-N 2.91Å; P286-Q289 VanDerWaalsContact O-N 3.09Å; R287-Q289 PolarHBondContact O-N 3.47Å; Q289-E292 PolarHBondContact O-N 3.45Å; Q289-A293 VanDerWaalsContact O-CB 3.26Å; Q289-A293 WeakPolarHBondContact O-CB 3.14Å; Q289-A293 PolarHBondContact O-N 2.89Å; Q289-L308 HydrophobicContact CB-CD2 3.56Å |
| 290 | I | 92.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60 | -51.3 | 175 | -64.1 | 171.4 | 0 | 0 | 0 | 110.5 | C277 L280 L281 F285 P286 R287 P288 E292 A293 V294 L308 | C277-I290 HydrophobicContact CB-CG2 4.48Å; L280-I290 HydrophobicContact CB-CB 4.43Å; L280-I290 HydrophobicContact CB-CD1 3.83Å; L280-I290 HydrophobicContact CB-CG1 3.9Å; L280-I290 HydrophobicContact CB-CG2 3.7Å; L280-I290 HydrophobicContact CD1-CG2 3.83Å; L280-I290 HydrophobicContact CG-CG2 4.42Å; L281-I290 HydrophobicContact CB-CD1 4.33Å; L281-I290 HydrophobicContact CD2-CD1 3.6Å; L281-I290 HydrophobicContact CG-CD1 3.71Å; F285-I290 HydrophobicContact CB-CD1 3.81Å; F285-I290 HydrophobicContact CB-CG1 3.68Å; F285-I290 VanDerWaalsContact O-CD1 3.26Å; F285-I290 WeakPolarHBondContact O-CD1 3.39Å; P286-I290 PolarHBondContact O-N 3.32Å; R287-I290 PolarHBondContact O-N 2.92Å; P288-I290 VanDerWaalsContact C-N 3.35Å; P288-I290 PolarHBondContact O-N 3.04Å; I290-E292 VanDerWaalsContact C-N 3.32Å; I290-E292 PolarHBondContact O-N 2.84Å; I290-A293 PolarHBondContact O-N 3.02Å; I290-V294 HydrophobicContact CG2-CG2 4.13Å; I290-V294 WeakPolarHBondContact O-CB 3.46Å; I290-V294 VanDerWaalsContact O-CG2 3.24Å; I290-V294 WeakPolarHBondContact O-CG2 3.21Å; I290-V294 PolarHBondContact O-N 3.35Å; I290-L308 HydrophobicContact CG1-CD1 4.29Å |
| 291 | F | 92.5 | Very high | 90.7 | Very high | 15 Ų | 15 | 56.9 Ų | 56.9 | 7% | 0.066 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64 | -39.9 | -177.3 | -71.2 | 2.6 | 0 | 0 | 0 | 111 | E254 F258 C277 R287 P288 A295 | E254-F291 HydrophobicContact CB-CE2 4.23Å; F258-F291 HydrophobicContact CB-CD2 3.83Å; F258-F291 HydrophobicContact CB-CE2 4.14Å; F258-F291 HydrophobicContact CB-CG 4.33Å; F258-F291 HydrophobicContact CD1-CD1 4.22Å; F258-F291 HydrophobicContact CD1-CD2 4.39Å; F258-F291 HydrophobicContact CD1-CE1 4.4Å; F258-F291 HydrophobicContact CD1-CG 4.22Å; F258-F291 HydrophobicContact CD2-CB 3.68Å; F258-F291 HydrophobicContact CD2-CD2 4.29Å; F258-F291 AromaticContact CD2-CG 3.97Å; F258-F291 HydrophobicContact CD2-CG 3.97Å; F258-F291 HydrophobicContact CE1-CD1 4.33Å; F258-F291 HydrophobicContact CE2-CB 3.92Å; F258-F291 HydrophobicContact CE2-CG 4.35Å; F258-F291 WeakPolarHBondContact CE2-O 3.39Å; F258-F291 HydrophobicContact CG-CB 4.14Å; F258-F291 HydrophobicContact CG-CD1 4.35Å; F258-F291 AromaticContact CG-CD2 3.9Å; F258-F291 HydrophobicContact CG-CD2 3.9Å; F258-F291 HydrophobicContact CG-CE2 4.38Å; F258-F291 AromaticContact CG-CG 3.89Å; F258-F291 HydrophobicContact CG-CG 3.89Å; C277-F291 HydrophobicContact CB-CE1 4.45Å; R287-F291 HydrophobicContact CG-CD1 4.35Å; R287-F291 HydrophobicContact CG-CD2 4.18Å; R287-F291 HydrophobicContact CG-CE1 3.96Å; R287-F291 HydrophobicContact CG-CE2 3.78Å; R287-F291 HydrophobicContact CG-CG 4.46Å; R287-F291 HydrophobicContact CG-CZ 3.65Å; R287-F291 PolarHBondContact O-N 2.97Å; P288-F291 PolarHBondContact O-N 3.29Å; F291-A295 VanDerWaalsContact O-CB 3.29Å; F291-A295 WeakPolarHBondContact O-CB 3.3Å; F291-A295 PolarHBondContact O-N 3.23Å |
| 292 | E | 91.3 | Very high | 90.7 | Very high | 119 Ų | 119 | 62.1 Ų | 62.1 | 56% | 0.556 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -61.5 | -51.6 | 172.6 | -169.9 | -173.9 | 157.2 | 0 | 0 | 112 | P288 Q289 I290 V294 A295 V296 | P288-E292 WeakPolarHBondContact O-CB 3.4Å; P288-E292 PolarHBondContact O-N 2.87Å; Q289-E292 PolarHBondContact O-N 3.45Å; I290-E292 VanDerWaalsContact C-N 3.32Å; I290-E292 PolarHBondContact O-N 2.84Å; E292-V294 PolarHBondContact O-N 3.01Å; E292-A295 PolarHBondContact O-N 3.39Å; E292-V296 WeakPolarHBondContact O-CG2 3.4Å; E292-V296 PolarHBondContact O-N 3.17Å |
| 293 | A | 91.3 | Very high | 90.7 | Very high | 3 Ų | 3 | 62.9 Ų | 62.9 | 3% | 0.025 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.3 | -42.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q289 I290 V296 E297 A304 L308 | Q289-A293 VanDerWaalsContact O-CB 3.26Å; Q289-A293 WeakPolarHBondContact O-CB 3.14Å; Q289-A293 PolarHBondContact O-N 2.89Å; I290-A293 PolarHBondContact O-N 3.02Å; A293-V296 PolarHBondContact O-N 2.83Å; A293-E297 WeakPolarHBondContact O-CB 3.35Å; A293-E297 WeakPolarHBondContact O-CG 3.4Å; A293-E297 PolarHBondContact O-N 3.46Å; A293-A304 HydrophobicContact CB-CB 4.18Å; A293-L308 HydrophobicContact CB-CD1 4.27Å; A293-L308 HydrophobicContact CB-CD2 4.14Å; A293-L308 HydrophobicContact CB-CG 3.91Å |
| 294 | V | 92.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69.4 | -35 | 178.4 | 176.6 | 0 | 0 | 0 | 0 | 111.7 | F258 Y273 V276 L280 I290 E292 K298 G299 A304 | F258-V294 HydrophobicContact CZ-CB 4.12Å; F258-V294 HydrophobicContact CZ-CG1 3.9Å; Y273-V294 HydrophobicContact CD1-CG1 3.79Å; Y273-V294 HydrophobicContact CE1-CG1 4.25Å; Y273-V294 HydrophobicContact CG-CG1 4.28Å; V276-V294 HydrophobicContact CG1-CG2 3.88Å; L280-V294 HydrophobicContact CD1-CG2 3.48Å; L280-V294 VanDerWaalsContact CD1-CG2 3.48Å; I290-V294 HydrophobicContact CG2-CG2 4.13Å; I290-V294 WeakPolarHBondContact O-CB 3.46Å; I290-V294 VanDerWaalsContact O-CG2 3.24Å; I290-V294 WeakPolarHBondContact O-CG2 3.21Å; I290-V294 PolarHBondContact O-N 3.35Å; E292-V294 PolarHBondContact O-N 3.01Å; V294-K298 PolarHBondContact O-N 3Å; V294-G299 PolarHBondContact O-N 3Å; V294-A304 HydrophobicContact CG2-CB 4.22Å |
| 295 | A | 91.3 | Very high | 90.9 | Very high | 41 Ų | 41 | 57.6 Ų | 57.6 | 34% | 0.339 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.3 | -46.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | F258 F291 E292 K298 | F258-A295 HydrophobicContact CE2-CB 4.12Å; F291-A295 VanDerWaalsContact O-CB 3.29Å; F291-A295 WeakPolarHBondContact O-CB 3.3Å; F291-A295 PolarHBondContact O-N 3.23Å; E292-A295 PolarHBondContact O-N 3.39Å; A295-K298 PolarHBondContact O-N 3.06Å |
| 296 | V | 91 | Very high | 90.9 | Very high | 72 Ų | 72 | 59.3 Ų | 59.3 | 44% | 0.436 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -68.7 | -46.8 | -177.7 | 175 | 0 | 0 | 0 | 0 | 111.6 | E292 A293 K298 | E292-V296 WeakPolarHBondContact O-CG2 3.4Å; E292-V296 PolarHBondContact O-N 3.17Å; A293-V296 PolarHBondContact O-N 2.83Å; V296-K298 PolarHBondContact O-N 3.16Å |
| 297 | E | 91.6 | Very high | 90.9 | Very high | 24 Ų | 24 | 62.4 Ų | 62.4 | 11% | 0.112 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | 13.8 | -178.6 | -52.5 | -58.1 | 147.1 | 0 | 0 | 112.8 | A293 G299 D300 R303 R307 | A293-E297 WeakPolarHBondContact O-CB 3.35Å; A293-E297 WeakPolarHBondContact O-CG 3.4Å; A293-E297 PolarHBondContact O-N 3.46Å; E297-G299 VanDerWaalsContact C-N 3.29Å; E297-G299 PolarHBondContact O-N 2.82Å; E297-D300 WeakPolarHBondContact O-CB 3.4Å; E297-D300 PolarHBondContact O-N 3.47Å; E297-R303 HydrophobicContact CB-CB 3.9Å; E297-R303 HydrophobicContact CG-CB 3.95Å; E297-R303 IonicContact OE2-CZ 3.08Å; E297-R303 IonicContact OE2-NE 2.99Å; E297-R303 PolarHBondContact OE2-NE 3.44Å; E297-R303 IonicContact OE2-NH2 2.72Å; E297-R303 PolarHBondContact OE2-NH2 2.98Å; E297-R307 IonicContact OE1-NH1 2.65Å; E297-R307 PolarHBondContact OE1-NH1 2.87Å |
| 298 | K | 89.3 | Confident | 90.8 | Very high | 164 Ų | 164 | 60.2 Ų | 60.2 | 71% | 0.713 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 35.6 | 173 | -56.8 | -175.3 | -179.3 | 179.6 | 0 | 115.6 | Y273 V294 A295 V296 | Y273-K298 WeakPolarHBondContact CE2-O 3.41Å; Y273-K298 WeakPolarHBondContact OH-CA 3.44Å; Y273-K298 PolarHBondContact OH-O 3.32Å; Y273-K298 VanDerWaalsContact OH-O 3.07Å; V294-K298 PolarHBondContact O-N 3Å; A295-K298 PolarHBondContact O-N 3.06Å; V296-K298 PolarHBondContact O-N 3.16Å |
| 299 | G | 86.8 | Confident | 90.8 | Very high | 9 Ų | 9 | 60.9 Ų | 60.9 | 9% | 0.093 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87 | 4.1 | -179 | 0 | 0 | 0 | 0 | 0 | 115.6 | V276 V294 E297 Q301 | V276-G299 WeakPolarHBondContact CG2-O 3.48Å; V294-G299 PolarHBondContact O-N 3Å; E297-G299 VanDerWaalsContact C-N 3.29Å; E297-G299 PolarHBondContact O-N 2.82Å; G299-Q301 PolarHBondContact O-N 3.36Å |
| 300 | D | 91.4 | Very high | 90.1 | Very high | 63 Ų | 63 | 61.6 Ų | 61.6 | 34% | 0.337 | 32% | 0.316 | S | S | . | . | trans | -74.3 | 114.5 | 171.5 | -174.9 | -38.3 | 0 | 0 | 0 | 110.7 | E297 N302 R303 A304 | E297-D300 WeakPolarHBondContact O-CB 3.4Å; E297-D300 PolarHBondContact O-N 3.47Å; D300-N302 PolarHBondContact OD1-N 3.12Å; D300-R303 HydrophobicContact CB-CB 4.04Å; D300-R303 HydrophobicContact CB-CG 4.23Å; D300-R303 PolarHBondContact OD1-N 3.29Å; D300-R303 WeakPolarHBondContact OD2-CD 3.26Å; D300-R303 WeakPolarHBondContact OD2-CG 3.47Å; D300-A304 WeakPolarHBondContact O-CB 3.46Å; D300-A304 PolarHBondContact O-N 3.36Å | ||
| 301 | Q | 91.4 | Very high | 88.7 | Confident | 60 Ų | 60 | 69.1 Ų | 69.1 | 28% | 0.28 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.3 | -40.4 | -179 | -171.3 | 176.3 | -71.2 | 0 | 0 | 113 | V276 N279 G299 L305 | V276-Q301 HydrophobicContact CB-CB 4.5Å; V276-Q301 HydrophobicContact CG1-CB 3.87Å; V276-Q301 HydrophobicContact CG1-CG 4.09Å; V276-Q301 HydrophobicContact CG2-CB 3.9Å; N279-Q301 PolarHBondContact ND2-OE1 3.49Å; G299-Q301 PolarHBondContact O-N 3.36Å; Q301-L305 HydrophobicContact CG-CD1 4.27Å; Q301-L305 WeakPolarHBondContact O-CB 3.46Å; Q301-L305 VanDerWaalsContact O-CG 3.3Å; Q301-L305 WeakPolarHBondContact O-CG 3.33Å; Q301-L305 PolarHBondContact O-N 2.89Å |
| 302 | N | 91.8 | Very high | 86.3 | Confident | 113 Ų | 113 | 77.3 Ų | 77.3 | 60% | 0.604 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -72.4 | -42 | -174.6 | -68.4 | -26.6 | 0 | 0 | 0 | 110.2 | D300 L305 S306 | D300-N302 PolarHBondContact OD1-N 3.12Å; N302-L305 WeakPolarHBondContact O-CB 3.22Å; N302-L305 PolarHBondContact O-N 2.82Å; N302-S306 PolarHBondContact O-N 3.17Å; N302-S306 PolarHBondContact O-OG 2.8Å |
| 303 | R | 91.2 | Very high | 86.1 | Confident | 143 Ų | 143 | 75.2 Ų | 75.2 | 54% | 0.54 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -69 | -39.5 | 176.1 | -63.8 | -178.4 | 61.3 | -174 | -5.9 | 112 | E297 D300 L305 S306 R307 | E297-R303 HydrophobicContact CB-CB 3.9Å; E297-R303 HydrophobicContact CG-CB 3.95Å; E297-R303 IonicContact OE2-CZ 3.08Å; E297-R303 IonicContact OE2-NE 2.99Å; E297-R303 PolarHBondContact OE2-NE 3.44Å; E297-R303 IonicContact OE2-NH2 2.72Å; E297-R303 PolarHBondContact OE2-NH2 2.98Å; D300-R303 HydrophobicContact CB-CB 4.04Å; D300-R303 HydrophobicContact CB-CG 4.23Å; D300-R303 PolarHBondContact OD1-N 3.29Å; D300-R303 WeakPolarHBondContact OD2-CD 3.26Å; D300-R303 WeakPolarHBondContact OD2-CG 3.47Å; R303-L305 VanDerWaalsContact C-N 3.32Å; R303-L305 PolarHBondContact O-N 2.89Å; R303-S306 PolarHBondContact O-N 2.95Å; R303-R307 PolarHBondContact O-N 3.1Å |
| 304 | A | 91.6 | Very high | 85.8 | Confident | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -61.1 | -40.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L280 A293 V294 D300 R307 L308 | L280-A304 HydrophobicContact CD1-CB 4.04Å; A293-A304 HydrophobicContact CB-CB 4.18Å; V294-A304 HydrophobicContact CG2-CB 4.22Å; D300-A304 WeakPolarHBondContact O-CB 3.46Å; D300-A304 PolarHBondContact O-N 3.36Å; A304-R307 PolarHBondContact O-N 2.96Å; A304-L308 WeakPolarHBondContact O-CB 3.47Å; A304-L308 WeakPolarHBondContact O-CD1 3.19Å; A304-L308 VanDerWaalsContact O-CG 3.24Å; A304-L308 WeakPolarHBondContact O-CG 3.1Å; A304-L308 PolarHBondContact O-N 3.02Å |
| 305 | L | 91.9 | Very high | 85.4 | Confident | 33 Ų | 33 | 83.4 Ų | 83.4 | 17% | 0.173 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -62 | -47.2 | 172.7 | -80.1 | 170.6 | 0 | 0 | 0 | 112.4 | L280 M283 F285 Q301 N302 R303 R307 L308 L309 | L280-L305 HydrophobicContact CD2-CD2 3.43Å; L280-L305 VanDerWaalsContact CD2-CD2 3.43Å; L280-L305 HydrophobicContact CD2-CG 3.72Å; M283-L305 HydrophobicContact CE-CD1 4.28Å; M283-L305 HydrophobicContact CE-CD2 4.05Å; M283-L305 HydrophobicContact SD-CD1 4.48Å; M283-L305 HydrophobicContact SD-CD2 3.8Å; F285-L305 HydrophobicContact CE2-CD2 3.65Å; F285-L305 HydrophobicContact CZ-CD2 4.08Å; Q301-L305 HydrophobicContact CG-CD1 4.27Å; Q301-L305 WeakPolarHBondContact O-CB 3.46Å; Q301-L305 VanDerWaalsContact O-CG 3.3Å; Q301-L305 WeakPolarHBondContact O-CG 3.33Å; Q301-L305 PolarHBondContact O-N 2.89Å; N302-L305 WeakPolarHBondContact O-CB 3.22Å; N302-L305 PolarHBondContact O-N 2.82Å; R303-L305 VanDerWaalsContact C-N 3.32Å; R303-L305 PolarHBondContact O-N 2.89Å; L305-R307 PolarHBondContact O-N 2.75Å; L305-L308 PolarHBondContact O-N 2.9Å; L305-L308 VanDerWaalsContact O-N 3.1Å; L305-L309 WeakPolarHBondContact O-CB 3.34Å; L305-L309 WeakPolarHBondContact O-CG 3.02Å; L305-L309 PolarHBondContact O-N 3.09Å |
| 306 | S | 90.3 | Very high | 85.1 | Confident | 78 Ų | 78 | 85.9 Ų | 85.9 | 55% | 0.545 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60.3 | -24.6 | 176.7 | -58.9 | 0 | 0 | 0 | 0 | 113.4 | N302 R303 | N302-S306 PolarHBondContact O-N 3.17Å; N302-S306 PolarHBondContact O-OG 2.8Å; R303-S306 PolarHBondContact O-N 2.95Å |
| 307 | R | 88.9 | Confident | 84.7 | Confident | 128 Ų | 128 | 86.8 Ų | 86.8 | 48% | 0.483 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -85.1 | -31.3 | 175.1 | -167.5 | -176 | -174.4 | 89 | 10 | 113.3 | E297 R303 A304 L305 | E297-R307 IonicContact OE1-NH1 2.65Å; E297-R307 PolarHBondContact OE1-NH1 2.87Å; R303-R307 PolarHBondContact O-N 3.1Å; A304-R307 PolarHBondContact O-N 2.96Å; L305-R307 PolarHBondContact O-N 2.75Å |
| 308 | L | 89.1 | Confident | 84.2 | Confident | 20 Ų | 20 | 90.9 Ų | 90.9 | 11% | 0.105 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -82.2 | -30.6 | 179.9 | -74.1 | 168 | 0 | 0 | 0 | 112.9 | L280 F285 Q289 I290 A293 A304 L305 | L280-L308 HydrophobicContact CD1-CD1 4.09Å; L280-L308 HydrophobicContact CD2-CD1 3.82Å; L280-L308 HydrophobicContact CG-CD1 4.42Å; F285-L308 HydrophobicContact CB-CD1 4.41Å; F285-L308 HydrophobicContact CD1-CB 3.9Å; F285-L308 HydrophobicContact CD1-CD1 4.45Å; F285-L308 HydrophobicContact CD2-CD1 4.31Å; F285-L308 HydrophobicContact CE1-CB 3.84Å; F285-L308 HydrophobicContact CG-CB 4.42Å; F285-L308 HydrophobicContact CG-CD1 4.15Å; F285-L308 HydrophobicContact CZ-CB 4.32Å; Q289-L308 HydrophobicContact CB-CD2 3.56Å; I290-L308 HydrophobicContact CG1-CD1 4.29Å; A293-L308 HydrophobicContact CB-CD1 4.27Å; A293-L308 HydrophobicContact CB-CD2 4.14Å; A293-L308 HydrophobicContact CB-CG 3.91Å; A304-L308 WeakPolarHBondContact O-CB 3.47Å; A304-L308 WeakPolarHBondContact O-CD1 3.19Å; A304-L308 VanDerWaalsContact O-CG 3.24Å; A304-L308 WeakPolarHBondContact O-CG 3.1Å; A304-L308 PolarHBondContact O-N 3.02Å; L305-L308 PolarHBondContact O-N 2.9Å; L305-L308 VanDerWaalsContact O-N 3.1Å |
| 309 | L | 88.3 | Confident | 83.9 | Confident | 93 Ų | 93 | 85.7 Ų | 85.7 | 49% | 0.487 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -78.3 | 130.4 | 170.7 | -67.9 | 172.5 | 0 | 0 | 0 | 109 | F285 L305 N311 | F285-L309 HydrophobicContact CE1-CD2 4.16Å; F285-L309 HydrophobicContact CZ-CD2 3.92Å; F285-L309 HydrophobicContact CZ-CG 4.31Å; L305-L309 WeakPolarHBondContact O-CB 3.34Å; L305-L309 WeakPolarHBondContact O-CG 3.02Å; L305-L309 PolarHBondContact O-N 3.09Å; L309-N311 PolarHBondContact O-N 3.29Å |
| 310 | P | 77 | Confident | 83.6 | Confident | 115 Ų | 115 | 91.6 Ų | 91.6 | 75% | 0.747 | 50% | 0.496 | S | S | * | . | trans | -63 | 134.6 | 169.6 | 27.4 | -32.8 | 0 | 0 | 0 | 109.1 | S312 | P310-S312 PolarHBondContact O-N 2.8Š| ||
| 311 | N | 61.3 | Low | 83 | Confident | 159 Ų | 159 | 94 Ų | 94 | 85% | 0.85 | 51% | 0.51 | S | S | * | . | trans | -58 | 110.8 | 171.1 | -69.2 | -24.3 | 0 | 0 | 0 | 108.9 | L309 | L309-N311 PolarHBondContact O-N 3.29Š| ||
| 312 | S | 43.1 | Very low | 82.2 | Confident | 186 Ų | 186 | 97.1 Ų | 97.1 | 100% | 1.301 | 53% | 0.53 | S | S | * | . | trans | -87.9 | 0 | 173.2 | 62.8 | 0 | 0 | 0 | 0 | 111.3 | P310 | P310-S312 PolarHBondContact O-N 2.8Š|
Retrieved 312 of 312 residues in 53.9 ms
(Link to these results)