| 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 | 42.6 | Very low | 40.2 | Very low | 236 Ų | 236 | 153.5 Ų | 153.5 | 100% | 1.163 | 83% | 0.828 | S | S | * | * | 0 | 128.2 | 0 | -61.4 | -147.4 | 85.8 | 0 | 0 | 107.5 | |||||
| 2 | P | 38.9 | Very low | 39.8 | Very low | 125 Ų | 125 | 154.6 Ų | 154.6 | 81% | 0.812 | 83% | 0.831 | S | S | * | * | trans | -80 | 142.4 | -173.4 | 32.2 | -30.6 | 0 | 0 | 0 | 110.9 | ||||
| 3 | S | 40.4 | Very low | 39.7 | Very low | 116 Ų | 116 | 154.7 Ų | 154.7 | 81% | 0.811 | 83% | 0.829 | S | S | * | * | trans | -64.8 | 123.6 | 174.6 | 36.5 | 0 | 0 | 0 | 0 | 111 | E5 | S3-E5 PolarHBondContact O-N 3.1Š| ||
| 4 | A | 41.9 | Very low | 39.6 | Very low | 94 Ų | 94 | 151.3 Ų | 151.3 | 78% | 0.777 | 82% | 0.823 | S | S | * | * | trans | -75.9 | 110.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | I6 | A4-I6 PolarHBondContact O-N 3.18Š| ||
| 5 | E | 42.8 | Very low | 39.5 | Very low | 184 Ų | 184 | 156.5 Ų | 156.5 | 86% | 0.86 | 83% | 0.826 | S | S | * | * | trans | -68.4 | 116.4 | 164.7 | -73.8 | 176.9 | 157.8 | 0 | 0 | 108.7 | S3 E7 | S3-E5 PolarHBondContact O-N 3.1Å; E5-E7 PolarHBondContact O-N 3.16Å | ||
| 6 | I | 43.1 | Very low | 39.5 | Very low | 160 Ų | 160 | 153 Ų | 153 | 82% | 0.821 | 82% | 0.815 | S | S | * | * | trans | -87.9 | 97.9 | 172.3 | -61.8 | 170.9 | 0 | 0 | 0 | 106.9 | A4 S8 | A4-I6 PolarHBondContact O-N 3.18Å; I6-S8 PolarHBondContact O-N 3Å; I6-S8 VanDerWaalsContact O-N 3.1Å | ||
| 7 | E | 42.4 | Very low | 39.3 | Very low | 183 Ų | 183 | 153.4 Ų | 153.4 | 86% | 0.855 | 82% | 0.817 | S | S | * | * | trans | -64.1 | 105.7 | 165.9 | -80.1 | -175.4 | 151.7 | 0 | 0 | 109.3 | E5 S9 | E5-E7 PolarHBondContact O-N 3.16Å; E7-S9 PolarHBondContact O-N 3.09Å | ||
| 8 | S | 36 | Very low | 39.3 | Very low | 88 Ų | 88 | 158.1 Ų | 158.1 | 62% | 0.615 | 82% | 0.821 | S | S | * | * | trans | -67.5 | 99 | 172.1 | 153.6 | 0 | 0 | 0 | 0 | 109.9 | I6 R10 | I6-S8 PolarHBondContact O-N 3Å; I6-S8 VanDerWaalsContact O-N 3.1Å; S8-R10 PolarHBondContact O-N 3.11Å | ||
| 9 | S | 36.5 | Very low | 39.2 | Very low | 106 Ų | 106 | 157.2 Ų | 157.2 | 74% | 0.741 | 82% | 0.816 | S | S | * | * | trans | -70.6 | 69.7 | 169.5 | 62.2 | 0 | 0 | 0 | 0 | 111.7 | E7 H11 | E7-S9 PolarHBondContact O-N 3.09Å; S9-H11 PolarHBondContact O-N 3.34Å | ||
| 10 | R | 38.5 | Very low | 39 | Very low | 218 Ų | 218 | 158.5 Ų | 158.5 | 82% | 0.823 | 82% | 0.815 | S | S | * | * | trans | -89.8 | 50.1 | 168.5 | -80.9 | -175.4 | -177.7 | -166.5 | 2.5 | 111.1 | S8 | S8-R10 PolarHBondContact O-N 3.11Š| ||
| 11 | H | 39 | Very low | 39.1 | Very low | 179 Ų | 179 | 157 Ų | 157 | 83% | 0.829 | 81% | 0.809 | S | S | * | * | trans | -134.8 | 53.6 | 171.8 | -68 | -33.6 | 0 | 0 | 0 | 110.8 | S9 | S9-H11 PolarHBondContact O-N 3.34Š| ||
| 12 | L | 35.4 | Very low | 38.9 | Very low | 166 Ų | 166 | 149.9 Ų | 149.9 | 87% | 0.869 | 78% | 0.78 | S | S | * | * | trans | -110 | 63.5 | 163.3 | -68.8 | 172.8 | 0 | 0 | 0 | 108.6 | ||||
| 13 | I | 38.4 | Very low | 38.8 | Very low | 156 Ų | 156 | 150.6 Ų | 150.6 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | trans | -92.7 | 109.5 | 160.8 | -62.1 | 175.6 | 0 | 0 | 0 | 105.6 | R15 | I13-R15 PolarHBondContact O-N 2.93Š| ||
| 14 | S | 38.7 | Very low | 38.5 | Very low | 107 Ų | 107 | 155.3 Ų | 155.3 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | trans | -39.8 | 115.5 | 176.2 | 52.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 15 | R | 38.1 | Very low | 38.3 | Very low | 229 Ų | 229 | 159.4 Ų | 159.4 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | trans | -63.7 | 138.3 | 161.6 | -72.5 | -174.1 | 170.7 | 164.3 | -1.3 | 108.4 | I13 L17 | I13-R15 PolarHBondContact O-N 2.93Å; R15-L17 PolarHBondContact O-N 2.9Å; R15-L17 VanDerWaalsContact O-N 3.13Å | ||
| 16 | P | 39.8 | Very low | 37.8 | Very low | 101 Ų | 101 | 157.8 Ų | 157.8 | 66% | 0.656 | 78% | 0.776 | S | S | * | * | trans | -63 | 117.7 | 172.1 | 25.3 | -31 | 0 | 0 | 0 | 108.8 | W18 | P16-W18 VanDerWaalsContact O-CD1 3.29Å; P16-W18 PolarHBondContact O-N 3.26Å | ||
| 17 | L | 34.7 | Very low | 37.4 | Very low | 160 Ų | 160 | 157.7 Ų | 157.7 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | trans | -70.3 | 106.8 | 166.3 | -83.1 | 160.2 | 0 | 0 | 0 | 107.4 | R15 I19 | R15-L17 PolarHBondContact O-N 2.9Å; R15-L17 VanDerWaalsContact O-N 3.13Å; L17-I19 VanDerWaalsContact C-N 3.33Å; L17-I19 PolarHBondContact O-N 3.33Å | ||
| 18 | W | 40.1 | Very low | 36.9 | Very low | 237 Ų | 237 | 157.6 Ų | 157.6 | 90% | 0.898 | 78% | 0.776 | S | S | * | * | trans | -74.1 | 91.3 | 168.3 | -66 | 73.9 | 0 | 0 | 0 | 107.7 | P16 K20 | P16-W18 VanDerWaalsContact O-CD1 3.29Å; P16-W18 PolarHBondContact O-N 3.26Å; W18-K20 PolarHBondContact O-N 3.13Å | ||
| 19 | I | 37.3 | Very low | 36.8 | Very low | 141 Ų | 141 | 157.4 Ų | 157.4 | 72% | 0.723 | 78% | 0.775 | S | S | * | * | trans | -79.8 | 115 | 166.7 | -57.9 | 175.7 | 0 | 0 | 0 | 106.1 | L17 D21 | L17-I19 VanDerWaalsContact C-N 3.33Å; L17-I19 PolarHBondContact O-N 3.33Å; I19-D21 PolarHBondContact O-N 3.07Å | ||
| 20 | K | 35.6 | Very low | 36.5 | Very low | 184 Ų | 184 | 160.6 Ų | 160.6 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | trans | -74 | 109 | 172.8 | -172.5 | 179.1 | -178 | -177.9 | 0 | 107.2 | W18 | W18-K20 PolarHBondContact O-N 3.13Š| ||
| 21 | D | 39.8 | Very low | 36.6 | Very low | 128 Ų | 128 | 156.6 Ų | 156.6 | 68% | 0.684 | 78% | 0.783 | S | S | * | * | trans | -59.1 | 134.1 | 172.2 | -81.1 | -32.1 | 0 | 0 | 0 | 109.3 | I19 N23 | I19-D21 PolarHBondContact O-N 3.07Å; D21-N23 PolarHBondContact O-N 3.2Å | ||
| 22 | P | 39.8 | Very low | 36.4 | Very low | 86 Ų | 86 | 158.2 Ų | 158.2 | 56% | 0.558 | 78% | 0.782 | S | S | * | * | trans | -61.1 | 135.6 | 174.8 | 23.9 | -30.4 | 0 | 0 | 0 | 109.3 | Y24 | P22-Y24 HydrophobicContact CG-CE2 4.1Å; P22-Y24 VanDerWaalsContact O-CD2 3.3Å; P22-Y24 WeakPolarHBondContact O-CD2 3.37Å; P22-Y24 PolarHBondContact O-N 3.07Å | ||
| 23 | N | 36.2 | Very low | 36.8 | Very low | 140 Ų | 140 | 156.1 Ų | 156.1 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | trans | -52.3 | 98 | 176.4 | -70.5 | -21.2 | 0 | 0 | 0 | 110 | D21 F25 | D21-N23 PolarHBondContact O-N 3.2Å; N23-F25 PolarHBondContact O-N 2.82Å; N23-F25 VanDerWaalsContact O-N 3.17Å | ||
| 24 | Y | 35 | Very low | 36.9 | Very low | 214 Ų | 214 | 153.2 Ų | 153.2 | 84% | 0.839 | 77% | 0.767 | S | S | * | * | trans | -75.4 | 107.1 | 168.2 | -82.6 | -81.8 | 0 | 0 | 0 | 108.3 | P22 | P22-Y24 HydrophobicContact CG-CE2 4.1Å; P22-Y24 VanDerWaalsContact O-CD2 3.3Å; P22-Y24 WeakPolarHBondContact O-CD2 3.37Å; P22-Y24 PolarHBondContact O-N 3.07Å | ||
| 25 | F | 36 | Very low | 36.7 | Very low | 180 Ų | 180 | 158.5 Ų | 158.5 | 79% | 0.789 | 77% | 0.772 | S | S | * | * | trans | -49.4 | 151.6 | 166.4 | -83.2 | -100.2 | 0 | 0 | 0 | 112.5 | N23 L27 | N23-F25 PolarHBondContact O-N 2.82Å; N23-F25 VanDerWaalsContact O-N 3.17Å; F25-L27 PolarHBondContact O-N 3.17Å | ||
| 26 | D | 32.9 | Very low | 36.7 | Very low | 150 Ų | 150 | 155.3 Ų | 155.3 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | trans | -32.9 | 112.7 | 169.9 | -71.8 | -48.4 | 0 | 0 | 0 | 114.2 | ||||
| 27 | L | 34.6 | Very low | 36.5 | Very low | 158 Ų | 158 | 161.6 Ų | 161.6 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | trans | -104.2 | 81.7 | 153.3 | -77.6 | 167.8 | 0 | 0 | 0 | 107.7 | F25 S29 | F25-L27 PolarHBondContact O-N 3.17Å; L27-S29 VanDerWaalsContact C-N 3.29Å; L27-S29 PolarHBondContact O-N 3.02Å | ||
| 28 | Q | 31.9 | Very low | 36.7 | Very low | 182 Ų | 182 | 157.5 Ų | 157.5 | 85% | 0.85 | 76% | 0.761 | S | S | * | * | trans | -58.9 | 100.1 | 148.4 | -75 | -177.9 | -6.8 | 0 | 0 | 107.2 | ||||
| 29 | S | 33.7 | Very low | 36.7 | Very low | 84 Ų | 84 | 151.7 Ų | 151.7 | 59% | 0.587 | 75% | 0.754 | S | S | * | * | trans | -126.1 | 96.8 | 165.4 | 64.9 | 0 | 0 | 0 | 0 | 109.2 | L27 T31 | L27-S29 VanDerWaalsContact C-N 3.29Å; L27-S29 PolarHBondContact O-N 3.02Å; S29-T31 PolarHBondContact O-N 2.85Å | ||
| 30 | L | 30.6 | Very low | 36.8 | Very low | 172 Ų | 172 | 155 Ų | 155 | 90% | 0.901 | 76% | 0.757 | S | S | * | * | trans | 14.1 | 93.7 | 138.9 | -76.8 | 86.9 | 0 | 0 | 0 | 115.1 | ||||
| 31 | T | 40.7 | Very low | 36.9 | Very low | 135 Ų | 135 | 151.8 Ų | 151.8 | 83% | 0.828 | 75% | 0.753 | S | S | * | * | trans | -132.5 | 100 | 152.8 | 52.9 | 0 | 0 | 0 | 0 | 108.7 | S29 | S29-T31 PolarHBondContact O-N 2.85Š| ||
| 32 | R | 34.5 | Very low | 36.9 | Very low | 213 Ų | 213 | 150.6 Ų | 150.6 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | trans | -39.9 | 139.2 | 173.7 | -84.3 | 165 | 106.3 | 152.6 | 5.7 | 112.9 | D34 | R32-D34 IonicContact NE-OD2 3.22Å; R32-D34 PolarHBondContact NE-OD2 2.97Å; R32-D34 PolarHBondContact O-N 2.73Å | ||
| 33 | S | 43.3 | Very low | 36.7 | Very low | 121 Ų | 121 | 157.8 Ų | 157.8 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | 9.9 | 175.1 | 41.8 | 0 | 0 | 0 | 0 | 116 | ||
| 34 | D | 41.9 | Very low | 36.7 | Very low | 95 Ų | 95 | 160.4 Ų | 160.4 | 51% | 0.508 | 78% | 0.776 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -112.7 | 2.3 | -154.8 | -43.6 | -20 | 0 | 0 | 0 | 113.6 | R32 L36 | R32-D34 IonicContact NE-OD2 3.22Å; R32-D34 PolarHBondContact NE-OD2 2.97Å; R32-D34 PolarHBondContact O-N 2.73Å; D34-L36 PolarHBondContact O-N 3.41Å |
| 35 | Y | 33.5 | Very low | 37 | Very low | 219 Ų | 219 | 156.6 Ų | 156.6 | 86% | 0.859 | 78% | 0.775 | S | S | * | * | trans | -92.8 | 105.2 | -179.1 | -101.2 | -91.7 | 0 | 0 | 0 | 112.6 | W37 | Y35-W37 VanDerWaalsContact C-N 3.27Å; Y35-W37 PolarHBondContact O-N 3.03Å; Y35-W37 VanDerWaalsContact O-N 3.12Å | ||
| 36 | L | 38.4 | Very low | 37 | Very low | 161 Ų | 161 | 157 Ų | 157 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | 15.9 | -169 | -149.5 | 82.1 | 0 | 0 | 0 | 115.7 | D34 | D34-L36 PolarHBondContact O-N 3.41Š|
| 37 | W | 36.4 | Very low | 37.4 | Very low | 233 Ų | 233 | 155.9 Ų | 155.9 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.1 | 17.2 | -167.6 | -81.7 | 75.6 | 0 | 0 | 0 | 116.3 | Y35 P39 | Y35-W37 VanDerWaalsContact C-N 3.27Å; Y35-W37 PolarHBondContact O-N 3.03Å; Y35-W37 VanDerWaalsContact O-N 3.12Å; W37-P39 WeakPolarHBondContact O-CD 3.43Å |
| 38 | D | 37.4 | Very low | 37.4 | Very low | 74 Ų | 74 | 157.8 Ų | 157.8 | 40% | 0.396 | 79% | 0.785 | S | S | . | * | trans | -80.7 | 116.8 | 174.5 | -158.8 | -20.2 | 0 | 0 | 0 | 111.2 | R40 T41 | D38-R40 PolarHBondContact O-N 3.46Å; D38-R40 WeakPolarHBondContact OD1-CG 3.48Å; D38-R40 IonicContact OD1-NH1 3.55Å; D38-R40 IonicContact OD2-NH1 2.78Å; D38-T41 PolarHBondContact O-N 3.43Å; D38-T41 PolarHBondContact O-OG1 3.16Å; D38-T41 VanDerWaalsContact O-OG1 3.11Å | ||
| 39 | P | 41.4 | Very low | 37.5 | Very low | 116 Ų | 116 | 151.2 Ų | 151.2 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | 1.5 | -176.8 | -17.1 | 30.4 | 0 | 0 | 0 | 114.7 | W37 | W37-P39 WeakPolarHBondContact O-CD 3.43Š|
| 40 | R | 39.9 | Very low | 37.6 | Very low | 209 Ų | 209 | 154.3 Ų | 154.3 | 79% | 0.789 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -0.1 | -175 | -62.8 | -180 | -177.5 | 126 | -4.1 | 114 | D38 | D38-R40 PolarHBondContact O-N 3.46Å; D38-R40 WeakPolarHBondContact OD1-CG 3.48Å; D38-R40 IonicContact OD1-NH1 3.55Å; D38-R40 IonicContact OD2-NH1 2.78Å |
| 41 | T | 37.9 | Very low | 37.9 | Very low | 117 Ų | 117 | 157 Ų | 157 | 72% | 0.718 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | 0.2 | -173.3 | 48.6 | 0 | 0 | 0 | 0 | 115.3 | D38 | D38-T41 PolarHBondContact O-N 3.43Å; D38-T41 PolarHBondContact O-OG1 3.16Å; D38-T41 VanDerWaalsContact O-OG1 3.11Å |
| 42 | S | 38.1 | Very low | 37.7 | Very low | 104 Ų | 104 | 155 Ų | 155 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | 9.7 | -173.3 | 70.1 | 0 | 0 | 0 | 0 | 117 | ||
| 43 | R | 37.2 | Very low | 37.9 | Very low | 237 Ų | 237 | 156.2 Ų | 156.2 | 89% | 0.894 | 77% | 0.774 | S | S | * | * | trans | -120.5 | 68.3 | 176.5 | -70.3 | -170.3 | -178.4 | -170.3 | 0.6 | 112.7 | T45 | R43-T45 PolarHBondContact O-N 3.17Š| ||
| 44 | K | 35.7 | Very low | 37.5 | Very low | 195 Ų | 195 | 154.9 Ų | 154.9 | 85% | 0.848 | 77% | 0.765 | S | S | * | * | trans | -83.9 | 88.1 | 160.7 | -75.4 | -176.1 | 176.6 | 179.8 | 0 | 109 | ||||
| 45 | T | 40.2 | Very low | 37.2 | Very low | 133 Ų | 133 | 159.9 Ų | 159.9 | 82% | 0.816 | 78% | 0.782 | S | S | * | * | trans | 169.8 | 87.4 | 150.3 | 40.4 | 0 | 0 | 0 | 0 | 108.6 | R43 | R43-T45 PolarHBondContact O-N 3.17Š| ||
| 46 | E | 37 | Very low | 37.8 | Very low | 190 Ų | 190 | 157.5 Ų | 157.5 | 89% | 0.888 | 78% | 0.776 | S | S | * | * | trans | -177.6 | 136.7 | 143.7 | -102.6 | 171.2 | -152.6 | 0 | 0 | 110 | ||||
| 47 | P | 41.8 | Very low | 37.8 | Very low | 125 Ų | 125 | 154.7 Ų | 154.7 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | trans | -71.6 | 146.1 | -174.5 | 30.3 | -32.9 | 0 | 0 | 0 | 111.3 | G49 | P47-G49 PolarHBondContact O-N 2.95Š| ||
| 48 | E | 33.7 | Very low | 37.8 | Very low | 199 Ų | 199 | 152.9 Ų | 152.9 | 93% | 0.93 | 77% | 0.766 | S | S | * | * | trans | -45.6 | 86.6 | -177.4 | -66.6 | 171.9 | 138.4 | 0 | 0 | 113.7 | I50 | E48-I50 PolarHBondContact O-N 3.1Š| ||
| 49 | G | 33.4 | Very low | 37.6 | Very low | 43 Ų | 43 | 155.6 Ų | 155.6 | 44% | 0.443 | 79% | 0.785 | S | S | . | * | trans | -85.4 | 99.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | P47 R51 | P47-G49 PolarHBondContact O-N 2.95Å; G49-R51 PolarHBondContact O-N 2.87Å | ||
| 50 | I | 36.1 | Very low | 37.5 | Very low | 149 Ų | 149 | 154.4 Ų | 154.4 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | trans | -41.2 | 103.8 | 161.3 | -59.9 | 166.2 | 0 | 0 | 0 | 107.6 | E48 K381 | E48-I50 PolarHBondContact O-N 3.1Å; I50-K381 PolarHBondContact O-NZ 3.35Å | ||
| 51 | R | 36.7 | Very low | 37 | Very low | 229 Ų | 229 | 148.6 Ų | 148.6 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | trans | -90.6 | 107.5 | -179.9 | -135.3 | 176.7 | -177.3 | -177.8 | 1.5 | 104.8 | G49 R53 | G49-R51 PolarHBondContact O-N 2.87Å; R51-R53 PolarHBondContact O-N 2.66Å | ||
| 52 | A | 36.8 | Very low | 36.7 | Very low | 93 Ų | 93 | 154 Ų | 154 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | -54.2 | 107.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 107 | S54 | A52-S54 PolarHBondContact O-N 3.11Š| ||
| 53 | R | 38.4 | Very low | 36.6 | Very low | 238 Ų | 238 | 157.6 Ų | 157.6 | 90% | 0.898 | 79% | 0.787 | S | S | * | * | trans | -68.9 | 88.8 | 167.3 | -70.5 | -174.6 | 176.6 | -163.6 | 0.9 | 105.2 | R51 F55 | R51-R53 PolarHBondContact O-N 2.66Å; R53-F55 VanDerWaalsContact C-N 3.32Å; R53-F55 PolarHBondContact O-N 3.35Å | ||
| 54 | S | 36.1 | Very low | 36.3 | Very low | 94 Ų | 94 | 151.2 Ų | 151.2 | 66% | 0.657 | 78% | 0.779 | S | S | * | * | trans | -59.3 | 106.3 | 160.9 | 58.3 | 0 | 0 | 0 | 0 | 105.5 | A52 K56 | A52-S54 PolarHBondContact O-N 3.11Å; S54-K56 PolarHBondContact O-N 3.4Å | ||
| 55 | F | 36.3 | Very low | 36.2 | Very low | 200 Ų | 200 | 147.8 Ų | 147.8 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | trans | -63 | 87.5 | 165.3 | -126.2 | -92 | 0 | 0 | 0 | 105.6 | R53 P57 | R53-F55 VanDerWaalsContact C-N 3.32Å; R53-F55 PolarHBondContact O-N 3.35Å; F55-P57 WeakPolarHBondContact O-CD 3.5Å | ||
| 56 | K | 45.8 | Very low | 35.9 | Very low | 169 Ų | 169 | 148.1 Ų | 148.1 | 74% | 0.735 | 77% | 0.77 | S | S | * | * | trans | -65.1 | 118.8 | 156.7 | -72.9 | -170.2 | 176.3 | -174.1 | 0 | 103.9 | S54 K58 | S54-K56 PolarHBondContact O-N 3.4Å; K56-K58 PolarHBondContact O-N 3.4Å | ||
| 57 | P | 37.4 | Very low | 36.1 | Very low | 101 Ų | 101 | 145.4 Ų | 145.4 | 66% | 0.656 | 76% | 0.761 | S | S | * | * | trans | -57.5 | 115.5 | 166.9 | 24.2 | -29.1 | 0 | 0 | 0 | 105.5 | F55 V59 | F55-P57 WeakPolarHBondContact O-CD 3.5Å; P57-V59 HydrophobicContact CB-CG2 4.19Å; P57-V59 HydrophobicContact CG-CG2 4.34Å; P57-V59 PolarHBondContact O-N 3.03Å | ||
| 58 | K | 36.8 | Very low | 35.8 | Very low | 195 Ų | 195 | 150.3 Ų | 150.3 | 85% | 0.848 | 76% | 0.764 | S | S | * | * | trans | -65 | 87.6 | 162.7 | -79.9 | -177 | 175.7 | -179.2 | 0 | 104.8 | K56 S60 | K56-K58 PolarHBondContact O-N 3.4Å; K58-S60 PolarHBondContact O-N 2.95Å | ||
| 59 | V | 33.6 | Very low | 36 | Very low | 131 Ų | 131 | 147.9 Ų | 147.9 | 79% | 0.794 | 76% | 0.757 | S | S | * | * | trans | -74.2 | 69.4 | 163.3 | -161.9 | 0 | 0 | 0 | 0 | 105.7 | P57 A61 | P57-V59 HydrophobicContact CB-CG2 4.19Å; P57-V59 HydrophobicContact CG-CG2 4.34Å; P57-V59 PolarHBondContact O-N 3.03Å; V59-A61 PolarHBondContact O-N 2.92Å | ||
| 60 | S | 37.7 | Very low | 35.9 | Very low | 91 Ų | 91 | 151.4 Ų | 151.4 | 64% | 0.636 | 78% | 0.775 | S | S | * | * | trans | -74.4 | 99.4 | 161.7 | 49.7 | 0 | 0 | 0 | 0 | 105.9 | K58 Y62 | K58-S60 PolarHBondContact O-N 2.95Å; S60-Y62 PolarHBondContact O-N 3.3Å; S60-Y62 VanDerWaalsContact O-N 3.11Å | ||
| 61 | A | 30 | Very low | 35.7 | Very low | 87 Ų | 87 | 147.2 Ų | 147.2 | 72% | 0.719 | 77% | 0.769 | S | S | * | * | trans | 25 | 79.5 | 149.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | V59 K63 | V59-A61 PolarHBondContact O-N 2.92Å; A61-K63 PolarHBondContact O-N 3.34Å | ||
| 62 | Y | 32 | Very low | 35.5 | Very low | 232 Ų | 232 | 145.3 Ų | 145.3 | 91% | 0.91 | 77% | 0.77 | S | S | * | * | trans | -70.5 | 90.9 | 146.9 | -91.9 | -87.5 | 0 | 0 | 0 | 106.7 | S60 | S60-Y62 PolarHBondContact O-N 3.3Å; S60-Y62 VanDerWaalsContact O-N 3.11Å | ||
| 63 | K | 35.3 | Very low | 35.5 | Very low | 178 Ų | 178 | 150.8 Ų | 150.8 | 77% | 0.774 | 78% | 0.776 | S | S | * | * | trans | -56.4 | 142.9 | 150.2 | -86.3 | 179.9 | 169.3 | -178.4 | 0 | 107.7 | A61 | A61-K63 PolarHBondContact O-N 3.34Š| ||
| 64 | S | 31 | Very low | 35.2 | Very low | 103 Ų | 103 | 148.2 Ų | 148.2 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | trans | 60 | 97.4 | 160.1 | 63.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 65 | T | 34.5 | Very low | 35.1 | Very low | 124 Ų | 124 | 153 Ų | 153 | 76% | 0.761 | 78% | 0.783 | S | S | * | * | -175.8 | 106.6 | 104.8 | 32.9 | 0 | 0 | 0 | 0 | 106.5 | D67 | T65-D67 PolarHBondContact O-N 2.66Š| |||
| 66 | I | 34.4 | Very low | 34.7 | Very low | 139 Ų | 139 | 148.8 Ų | 148.8 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | trans | -79.2 | 101 | 168.3 | -58.7 | 168.8 | 0 | 0 | 0 | 105.1 | W68 | I66-W68 HydrophobicContact CG2-CD2 4.44Å; I66-W68 HydrophobicContact CG2-CG 3.93Å; I66-W68 VanDerWaalsContact CG2-NE1 3.29Å; I66-W68 PolarHBondContact O-N 3.1Å | ||
| 67 | D | 40 | Very low | 34 | Very low | 133 Ų | 133 | 148.4 Ų | 148.4 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | trans | -83.1 | 96.6 | 160.5 | -71.8 | -27.3 | 0 | 0 | 0 | 106.8 | T65 D69 | T65-D67 PolarHBondContact O-N 2.66Å; D67-D69 PolarHBondContact O-N 3.04Å | ||
| 68 | W | 36.2 | Very low | 33.7 | Very low | 229 Ų | 229 | 148.7 Ų | 148.7 | 87% | 0.867 | 79% | 0.788 | S | S | * | * | trans | -71.1 | 69.8 | 160.8 | -77.3 | 97.9 | 0 | 0 | 0 | 107.8 | I66 S70 | I66-W68 HydrophobicContact CG2-CD2 4.44Å; I66-W68 HydrophobicContact CG2-CG 3.93Å; I66-W68 VanDerWaalsContact CG2-NE1 3.29Å; I66-W68 PolarHBondContact O-N 3.1Å; W68-S70 PolarHBondContact O-N 3.2Å; W68-S70 VanDerWaalsContact O-N 3.1Å | ||
| 69 | D | 37.8 | Very low | 33.4 | Very low | 147 Ų | 147 | 143.6 Ų | 143.6 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | trans | -79 | 98.5 | 169 | -100.1 | -10.9 | 0 | 0 | 0 | 108.8 | D67 G71 | D67-D69 PolarHBondContact O-N 3.04Å; D69-G71 PolarHBondContact O-N 3.19Å; D69-G71 VanDerWaalsContact O-N 3.17Å | ||
| 70 | S | 32 | Very low | 33.2 | Very low | 117 Ų | 117 | 143.4 Ų | 143.4 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | -48.3 | 105.1 | 163 | 48.5 | 0 | 0 | 0 | 0 | 111.2 | W68 | W68-S70 PolarHBondContact O-N 3.2Å; W68-S70 VanDerWaalsContact O-N 3.1Å | ||
| 71 | G | 31.2 | Very low | 33.1 | Very low | 62 Ų | 62 | 146.7 Ų | 146.7 | 64% | 0.639 | 78% | 0.779 | S | S | * | * | trans | -154.3 | 115.9 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | D69 | D69-G71 PolarHBondContact O-N 3.19Å; D69-G71 VanDerWaalsContact O-N 3.17Å | ||
| 72 | E | 32.7 | Very low | 33.3 | Very low | 189 Ų | 189 | 148.3 Ų | 148.3 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | trans | 73.4 | 83.5 | 167.3 | -52.4 | -176.8 | 171.9 | 0 | 0 | 116.7 | ||||
| 73 | K | 35.4 | Very low | 33.4 | Very low | 207 Ų | 207 | 146.6 Ų | 146.6 | 90% | 0.9 | 78% | 0.781 | S | S | * | * | trans | -161.4 | 68.6 | 134.7 | -104 | 163 | -167.2 | -177.3 | 0 | 110 | K75 | K73-K75 PolarHBondContact O-N 3.18Å; K73-K75 VanDerWaalsContact O-N 3.16Å | ||
| 74 | E | 33.3 | Very low | 33.5 | Very low | 184 Ų | 184 | 146 Ų | 146 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | trans | -59.2 | 107.9 | 143.7 | -75.1 | -176.5 | 158.9 | 0 | 0 | 107.4 | ||||
| 75 | K | 34.3 | Very low | 33.7 | Very low | 194 Ų | 194 | 148.1 Ų | 148.1 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | trans | 167.5 | 133.9 | 142 | -88.2 | 153.4 | -168.4 | -179.8 | 0 | 108.9 | K73 | K73-K75 PolarHBondContact O-N 3.18Å; K73-K75 VanDerWaalsContact O-N 3.16Å | ||
| 76 | S | 28.2 | Very low | 33.8 | Very low | 112 Ų | 112 | 147.6 Ų | 147.6 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | trans | 73.9 | 75.1 | 163.6 | 72.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 77 | I | 29.9 | Very low | 34.1 | Very low | 162 Ų | 162 | 147.6 Ų | 147.6 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | -130.3 | 93.6 | 125 | -57.4 | 178.5 | 0 | 0 | 0 | 106 | C79 | I77-C79 VanDerWaalsContact C-N 3.33Å; I77-C79 PolarHBondContact O-N 2.9Å | |||
| 78 | S | 30.4 | Very low | 34 | Very low | 107 Ų | 107 | 149.6 Ų | 149.6 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | -71.6 | 94.3 | 168.8 | 53.5 | 0 | 0 | 0 | 0 | 107.9 | V80 | S78-V80 PolarHBondContact O-N 3.02Å; S78-V80 VanDerWaalsContact O-N 3.17Å | ||
| 79 | C | 30.7 | Very low | 34.2 | Very low | 87 Ų | 87 | 148.7 Ų | 148.7 | 59% | 0.588 | 79% | 0.789 | S | S | * | * | trans | -58.9 | 110.7 | 154.4 | 34.8 | 0 | 0 | 0 | 0 | 107.5 | I77 H81 | I77-C79 VanDerWaalsContact C-N 3.33Å; I77-C79 PolarHBondContact O-N 2.9Å; C79-H81 VanDerWaalsContact C-N 3.25Å; C79-H81 PolarHBondContact O-N 2.83Å; C79-H81 PolarHBondContact O-ND1 3.24Å; C79-H81 VanDerWaalsContact O-ND1 3.07Å; C79-H81 VanDerWaalsContact SG-CE1 3.57Å | ||
| 80 | V | 29.6 | Very low | 34.1 | Very low | 128 Ų | 128 | 149.9 Ų | 149.9 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | -59.1 | 95.5 | 168.3 | 176.3 | 0 | 0 | 0 | 0 | 106.6 | S78 T82 | S78-V80 PolarHBondContact O-N 3.02Å; S78-V80 VanDerWaalsContact O-N 3.17Å; V80-T82 PolarHBondContact O-N 2.85Å; V80-T82 VanDerWaalsContact O-N 3.13Å | ||
| 81 | H | 35.8 | Very low | 34.1 | Very low | 159 Ų | 159 | 150.2 Ų | 150.2 | 74% | 0.736 | 78% | 0.783 | S | S | * | * | trans | -70.7 | 98.5 | 163.4 | -76.2 | 69.5 | 0 | 0 | 0 | 106.2 | C79 Q83 | C79-H81 VanDerWaalsContact C-N 3.25Å; C79-H81 PolarHBondContact O-N 2.83Å; C79-H81 PolarHBondContact O-ND1 3.24Å; C79-H81 VanDerWaalsContact O-ND1 3.07Å; C79-H81 VanDerWaalsContact SG-CE1 3.57Å; H81-Q83 PolarHBondContact O-N 3.43Å | ||
| 82 | T | 34.8 | Very low | 34.5 | Very low | 121 Ų | 121 | 154.1 Ų | 154.1 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | trans | -57.3 | 122.5 | 161.4 | 3.7 | 0 | 0 | 0 | 0 | 107.5 | V80 L84 | V80-T82 PolarHBondContact O-N 2.85Å; V80-T82 VanDerWaalsContact O-N 3.13Å; T82-L84 PolarHBondContact O-N 3.26Å | ||
| 83 | Q | 33.5 | Very low | 34.5 | Very low | 196 Ų | 196 | 151 Ų | 151 | 92% | 0.916 | 78% | 0.783 | S | S | * | * | trans | -60 | 101.8 | -180 | -70.3 | 176.7 | -9.2 | 0 | 0 | 110 | H81 N85 | H81-Q83 PolarHBondContact O-N 3.43Å; Q83-N85 PolarHBondContact O-N 2.73Å | ||
| 84 | L | 38.1 | Very low | 34.6 | Very low | 167 Ų | 167 | 148.7 Ų | 148.7 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | trans | -75.4 | 111.8 | 166.1 | -92.2 | 153.8 | 0 | 0 | 0 | 108.1 | T82 | T82-L84 PolarHBondContact O-N 3.26Š| ||
| 85 | N | 35.7 | Very low | 34.7 | Very low | 146 Ų | 146 | 143.7 Ų | 143.7 | 78% | 0.781 | 76% | 0.755 | S | S | * | * | trans | -52 | 123.1 | 178.1 | -141.2 | -18.7 | 0 | 0 | 0 | 110.8 | Q83 N87 | Q83-N85 PolarHBondContact O-N 2.73Å; N85-N87 VanDerWaalsContact C-N 3.33Å; N85-N87 PolarHBondContact O-N 3.08Å | ||
| 86 | P | 36.9 | Very low | 34.9 | Very low | 113 Ų | 113 | 141.4 Ų | 141.4 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -85.1 | 15.9 | -163.7 | 32.6 | -35.2 | 0 | 0 | 0 | 115.9 | ||
| 87 | N | 39 | Very low | 35.5 | Very low | 140 Ų | 140 | 140.8 Ų | 140.8 | 75% | 0.749 | 74% | 0.743 | S | S | * | * | trans | -121.3 | 29 | -163.9 | -80.1 | -9.4 | 0 | 0 | 0 | 117 | N85 | N85-N87 VanDerWaalsContact C-N 3.33Å; N85-N87 PolarHBondContact O-N 3.08Å | ||
| 88 | K | 39 | Very low | 36.1 | Very low | 174 Ų | 174 | 137 Ų | 137 | 76% | 0.757 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -142 | 103.1 | 176.4 | -80.8 | -169.3 | 179.9 | 178.2 | 0 | 113 | ||
| 89 | Y | 39.5 | Very low | 36.6 | Very low | 210 Ų | 210 | 137.6 Ų | 137.6 | 82% | 0.824 | 73% | 0.725 | S | S | * | * | trans | 67.9 | 92.2 | 157.6 | -49.5 | -74 | 0 | 0 | 0 | 114.6 | ||||
| 90 | Q | 35.9 | Very low | 37.1 | Very low | 172 Ų | 172 | 138.7 Ų | 138.7 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | 48.4 | 109.5 | 63.3 | -125.5 | -179.8 | 21.4 | 0 | 0 | 113.3 | |||||
| 91 | N | 32.4 | Very low | 37.8 | Very low | 125 Ų | 125 | 139.5 Ų | 139.5 | 67% | 0.668 | 72% | 0.724 | S | S | * | * | trans | 67 | 101.8 | 164.4 | -53.1 | -23.9 | 0 | 0 | 0 | 114.5 | ||||
| 92 | H | 40.6 | Very low | 38.1 | Very low | 143 Ų | 143 | 140 Ų | 140 | 66% | 0.662 | 73% | 0.727 | S | S | * | * | -171.6 | 119.8 | 105.4 | -77.3 | -59.8 | 0 | 0 | 0 | 109.4 | Y94 | H92-Y94 HydrophobicContact CB-CD2 3.64Å; H92-Y94 HydrophobicContact CB-CE1 4.39Å; H92-Y94 HydrophobicContact CB-CE2 3.03Å; H92-Y94 VanDerWaalsContact CB-CZ 3.44Å; H92-Y94 AromaticContact CG-CE2 3.74Å; H92-Y94 AromaticContact CG-CZ 3.78Å; H92-Y94 PolarHBondContact O-N 3.27Å; H92-Y94 VanDerWaalsContact O-N 3.1Å | |||
| 93 | S | 32.4 | Very low | 38.4 | Very low | 123 Ų | 123 | 139.9 Ų | 139.9 | 86% | 0.86 | 72% | 0.718 | S | S | * | * | trans | -63.3 | 99.5 | 168.2 | 49.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 94 | Y | 37.5 | Very low | 38.5 | Very low | 160 Ų | 160 | 136.3 Ų | 136.3 | 63% | 0.627 | 71% | 0.712 | S | S | * | * | trans | -118.1 | 116.3 | 167.3 | -60.4 | -64.3 | 0 | 0 | 0 | 108.7 | H92 L96 | H92-Y94 HydrophobicContact CB-CD2 3.64Å; H92-Y94 HydrophobicContact CB-CE1 4.39Å; H92-Y94 HydrophobicContact CB-CE2 3.03Å; H92-Y94 VanDerWaalsContact CB-CZ 3.44Å; H92-Y94 AromaticContact CG-CE2 3.74Å; H92-Y94 AromaticContact CG-CZ 3.78Å; H92-Y94 PolarHBondContact O-N 3.27Å; H92-Y94 VanDerWaalsContact O-N 3.1Å; Y94-L96 PolarHBondContact O-N 3.02Å; Y94-L96 VanDerWaalsContact O-N 3.16Å | ||
| 95 | S | 35.5 | Very low | 38.7 | Very low | 79 Ų | 79 | 135 Ų | 135 | 55% | 0.552 | 70% | 0.695 | S | S | * | * | trans | -44.3 | 115.2 | 174 | -175.1 | 0 | 0 | 0 | 0 | 110.7 | T97 S98 | S95-T97 PolarHBondContact O-N 3.37Å; S95-T97 PolarHBondContact OG-OG1 3.01Å; S95-T97 VanDerWaalsContact OG-OG1 3.09Å; S95-S98 PolarHBondContact O-N 3.11Å; S95-S98 VanDerWaalsContact O-N 3.11Å | ||
| 96 | L | 36.8 | Very low | 38.8 | Very low | 145 Ų | 145 | 135.6 Ų | 135.6 | 76% | 0.759 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.2 | -17.8 | -175.8 | -101.7 | 153.7 | 0 | 0 | 0 | 113.7 | Y94 L100 | Y94-L96 PolarHBondContact O-N 3.02Å; Y94-L96 VanDerWaalsContact O-N 3.16Å; L96-L100 WeakPolarHBondContact O-CD1 3.32Å |
| 97 | T | 41.8 | Very low | 39.2 | Very low | 100 Ų | 100 | 137.6 Ų | 137.6 | 61% | 0.613 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -15.7 | -179.5 | 46.5 | 0 | 0 | 0 | 0 | 114.2 | S95 | S95-T97 PolarHBondContact O-N 3.37Å; S95-T97 PolarHBondContact OG-OG1 3.01Å; S95-T97 VanDerWaalsContact OG-OG1 3.09Å |
| 98 | S | 41.4 | Very low | 39.2 | Very low | 82 Ų | 82 | 138.6 Ų | 138.6 | 57% | 0.573 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.3 | -8.9 | -174.5 | -58.3 | 0 | 0 | 0 | 0 | 114.7 | S95 | S95-S98 PolarHBondContact O-N 3.11Å; S95-S98 VanDerWaalsContact O-N 3.11Å |
| 99 | L | 41.8 | Very low | 39.2 | Very low | 120 Ų | 120 | 137.4 Ų | 137.4 | 63% | 0.628 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -95.8 | -13.3 | 174.2 | -130.2 | 95.4 | 0 | 0 | 0 | 113.5 | ||
| 100 | L | 41.5 | Very low | 39.2 | Very low | 109 Ų | 109 | 134.3 Ų | 134.3 | 57% | 0.571 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -88.6 | -18.1 | -178.6 | -78 | 165 | 0 | 0 | 0 | 113.4 | L96 | L96-L100 WeakPolarHBondContact O-CD1 3.32Š|
| 101 | D | 43.6 | Very low | 39.7 | Very low | 145 Ų | 145 | 131 Ų | 131 | 78% | 0.775 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -91.8 | -0.3 | -176.8 | -82.9 | -12.9 | 0 | 0 | 0 | 114.8 | ||
| 102 | Q | 42.5 | Very low | 40.2 | Very low | 171 Ų | 171 | 134.6 Ų | 134.6 | 80% | 0.799 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -121.2 | 8.7 | -173.3 | -70.6 | -169.3 | -3.6 | 0 | 0 | 116.2 | ||
| 103 | Q | 41 | Very low | 40.8 | Very low | 117 Ų | 117 | 134.4 Ų | 134.4 | 55% | 0.547 | 69% | 0.692 | S | S | . | * | S | Bend | trans | -139.5 | 131.6 | 171.3 | -71.3 | -160.9 | -28.6 | 0 | 0 | 112.6 | R105 | Q103-R105 VanDerWaalsContact C-N 3.31Å; Q103-R105 HydrophobicContact CB-CG 4.05Å; Q103-R105 PolarHBondContact O-N 3.33Å |
| 104 | P | 35.8 | Very low | 41.6 | Very low | 121 Ų | 121 | 132.3 Ų | 132.3 | 79% | 0.786 | 68% | 0.677 | S | S | * | * | trans | -71.5 | 95.7 | 171.2 | 31.1 | -28.7 | 0 | 0 | 0 | 106.1 | D106 | P104-D106 PolarHBondContact O-N 3.01Š| ||
| 105 | R | 41.5 | Very low | 42.1 | Very low | 140 Ų | 140 | 133.6 Ų | 133.6 | 53% | 0.528 | 69% | 0.686 | S | S | . | * | trans | -99.8 | 77.9 | -164.9 | -114.1 | -167.5 | -159.7 | -138 | 16.3 | 108.4 | Q103 W107 | Q103-R105 VanDerWaalsContact C-N 3.31Å; Q103-R105 HydrophobicContact CB-CG 4.05Å; Q103-R105 PolarHBondContact O-N 3.33Å; R105-W107 VanDerWaalsContact C-CD1 3.49Å; R105-W107 HydrophobicContact CB-CZ2 4Å; R105-W107 HydrophobicContact CG-CZ2 4.37Å; R105-W107 PolarHBondContact O-N 3.35Å; R105-W107 VanDerWaalsContact O-N 3.07Å; R105-W107 PolarHBondContact O-NE1 3.38Å | ||
| 106 | D | 39 | Very low | 42.8 | Very low | 159 Ų | 159 | 137.4 Ų | 137.4 | 85% | 0.85 | 69% | 0.694 | S | S | * | * | trans | -56 | 91.9 | 163.1 | -71.3 | -35.4 | 0 | 0 | 0 | 110 | P104 | P104-D106 PolarHBondContact O-N 3.01Š| ||
| 107 | W | 44.6 | Very low | 43.2 | Very low | 154 Ų | 154 | 135.8 Ų | 135.8 | 58% | 0.583 | 68% | 0.681 | S | S | * | * | trans | -148.6 | 124 | 164.7 | 25.4 | -80.2 | 0 | 0 | 0 | 112.7 | R105 | R105-W107 VanDerWaalsContact C-CD1 3.49Å; R105-W107 HydrophobicContact CB-CZ2 4Å; R105-W107 HydrophobicContact CG-CZ2 4.37Å; R105-W107 PolarHBondContact O-N 3.35Å; R105-W107 VanDerWaalsContact O-N 3.07Å; R105-W107 PolarHBondContact O-NE1 3.38Å | ||
| 108 | L | 38.5 | Very low | 43.3 | Very low | 162 Ų | 162 | 134.3 Ų | 134.3 | 85% | 0.848 | 69% | 0.686 | S | S | * | * | trans | 76 | 67.6 | 147.9 | -83.6 | 86 | 0 | 0 | 0 | 117 | ||||
| 109 | I | 39.2 | Very low | 43.2 | Very low | 148 Ų | 148 | 142.2 Ų | 142.2 | 76% | 0.759 | 70% | 0.704 | S | S | * | * | -127.5 | 117.2 | 124.7 | -59.1 | 179.7 | 0 | 0 | 0 | 106.2 | D111 | I109-D111 PolarHBondContact O-N 3.2Š| |||
| 110 | D | 40 | Very low | 43.2 | Very low | 145 Ų | 145 | 146.8 Ų | 146.8 | 78% | 0.775 | 71% | 0.712 | S | S | * | * | trans | -74.8 | 62.7 | -175.4 | -148.9 | 7.1 | 0 | 0 | 0 | 110.2 | Y112 | D110-Y112 PolarHBondContact O-N 3.2Š| ||
| 111 | D | 45.8 | Very low | 43.3 | Very low | 104 Ų | 104 | 154 Ų | 154 | 56% | 0.556 | 73% | 0.732 | S | S | * | * | trans | -92.3 | 90.4 | 169.5 | -90.3 | -8.5 | 0 | 0 | 0 | 108.1 | I109 D113 S114 | I109-D111 PolarHBondContact O-N 3.2Å; D111-D113 PolarHBondContact O-N 3.36Å; D111-S114 WeakPolarHBondContact O-CB 3.45Å; D111-S114 PolarHBondContact O-N 3.41Å; D111-S114 PolarHBondContact O-OG 3.1Å | ||
| 112 | Y | 43.6 | Very low | 43.4 | Very low | 199 Ų | 199 | 151.9 Ų | 151.9 | 78% | 0.78 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.8 | -18.5 | 170.1 | -114.3 | -95.3 | 0 | 0 | 0 | 112.5 | D110 | D110-Y112 PolarHBondContact O-N 3.2Š|
| 113 | D | 52.8 | Low | 43.7 | Very low | 140 Ų | 140 | 152.1 Ų | 152.1 | 75% | 0.749 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | -3.5 | 177.1 | -74.3 | -22.5 | 0 | 0 | 0 | 115 | D111 K115 | D111-D113 PolarHBondContact O-N 3.36Å; D113-K115 VanDerWaalsContact C-N 3.28Å; D113-K115 PolarHBondContact O-N 3.21Å |
| 114 | S | 49.5 | Very low | 44 | Very low | 78 Ų | 78 | 154.2 Ų | 154.2 | 55% | 0.545 | 74% | 0.741 | S | S | . | * | G | 310 helix | trans | -75.3 | -15.4 | 179.1 | 65.4 | 0 | 0 | 0 | 0 | 113.6 | D111 H116 | D111-S114 WeakPolarHBondContact O-CB 3.45Å; D111-S114 PolarHBondContact O-N 3.41Å; D111-S114 PolarHBondContact O-OG 3.1Å; S114-H116 VanDerWaalsContact C-N 3.33Å; S114-H116 PolarHBondContact O-N 3.13Å |
| 115 | K | 47.6 | Very low | 44.8 | Very low | 188 Ų | 188 | 155.6 Ų | 155.6 | 82% | 0.817 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -81.9 | -1.5 | -178.9 | -69.4 | -171.7 | 178.4 | 179.7 | 0 | 114.9 | D113 | D113-K115 VanDerWaalsContact C-N 3.28Å; D113-K115 PolarHBondContact O-N 3.21Å |
| 116 | H | 49.9 | Very low | 45.4 | Very low | 159 Ų | 159 | 154.5 Ų | 154.5 | 74% | 0.736 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -115.3 | 6.7 | -171.4 | -75.8 | -55.3 | 0 | 0 | 0 | 116.9 | S114 | S114-H116 VanDerWaalsContact C-N 3.33Å; S114-H116 PolarHBondContact O-N 3.13Å |
| 117 | K | 46.6 | Very low | 46.2 | Very low | 110 Ų | 110 | 157.3 Ų | 157.3 | 48% | 0.478 | 75% | 0.747 | S | S | . | * | trans | -111.4 | 98.7 | 174.5 | -71.6 | -175.7 | -179.5 | 172 | 0 | 110.5 | W119 | K117-W119 VanDerWaalsContact O-CD1 3.31Å; K117-W119 PolarHBondContact O-N 3.05Å | ||
| 118 | G | 42.5 | Very low | 46.6 | Very low | 70 Ų | 70 | 154.2 Ų | 154.2 | 72% | 0.722 | 74% | 0.742 | S | S | * | * | trans | -61.4 | 99.5 | 163 | 0 | 0 | 0 | 0 | 0 | 109.1 | R120 | G118-R120 PolarHBondContact O-N 3.45Š| ||
| 119 | W | 40 | Very low | 47.6 | Very low | 248 Ų | 248 | 156.6 Ų | 156.6 | 94% | 0.939 | 75% | 0.746 | S | S | * | * | trans | -66.1 | 86.3 | 167.5 | -77.4 | 43.6 | 0 | 0 | 0 | 108 | K117 | K117-W119 VanDerWaalsContact O-CD1 3.31Å; K117-W119 PolarHBondContact O-N 3.05Å | ||
| 120 | R | 40.7 | Very low | 48.4 | Very low | 215 Ų | 215 | 156.6 Ų | 156.6 | 81% | 0.811 | 74% | 0.742 | S | S | * | * | trans | -95.2 | 112.6 | 172 | -70.6 | -164.8 | -179.5 | -172.9 | 2.5 | 108.7 | G118 T122 | G118-R120 PolarHBondContact O-N 3.45Å; R120-T122 PolarHBondContact O-N 2.82Å; R120-T122 PolarHBondContact O-OG1 2.87Å; R120-T122 VanDerWaalsContact O-OG1 3.11Å | ||
| 121 | R | 44.9 | Very low | 49 | Very low | 261 Ų | 261 | 154 Ų | 154 | 99% | 0.985 | 74% | 0.735 | S | S | * | * | S | Bend | trans | 19.3 | 9.5 | 146.4 | -75.7 | -175.2 | 174.6 | 168.1 | -1.3 | 122.8 | ||
| 122 | T | 46.3 | Very low | 49.6 | Very low | 100 Ų | 100 | 158.8 Ų | 158.8 | 61% | 0.613 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -122.6 | 120.7 | 172.7 | 46.8 | 0 | 0 | 0 | 0 | 104.4 | R120 Q124 | R120-T122 PolarHBondContact O-N 2.82Å; R120-T122 PolarHBondContact O-OG1 2.87Å; R120-T122 VanDerWaalsContact O-OG1 3.11Å; T122-Q124 PolarHBondContact O-N 2.92Å |
| 123 | D | 48 | Very low | 50.4 | Low | 177 Ų | 177 | 154.6 Ų | 154.6 | 95% | 0.947 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -64.1 | 36 | -176.2 | -65 | -44.3 | 0 | 0 | 0 | 114.5 | ||
| 124 | Q | 46.6 | Very low | 51 | Low | 160 Ų | 160 | 156.2 Ų | 156.2 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | trans | -116.4 | 101.7 | 177.3 | -65.2 | -174.1 | 2.8 | 0 | 0 | 107.6 | T122 V126 | T122-Q124 PolarHBondContact O-N 2.92Å; Q124-V126 PolarHBondContact O-N 3.16Å | ||
| 125 | I | 54.1 | Low | 51.9 | Low | 151 Ų | 151 | 157 Ų | 157 | 77% | 0.774 | 75% | 0.746 | S | S | * | * | trans | -58.8 | 105.4 | 166.9 | -61.3 | 170.9 | 0 | 0 | 0 | 106.6 | R127 | I125-R127 PolarHBondContact O-N 3.25Š| ||
| 126 | V | 54 | Low | 53.3 | Low | 116 Ų | 116 | 151.2 Ų | 151.2 | 70% | 0.703 | 73% | 0.729 | S | S | * | * | trans | -60.3 | 103.5 | 169.5 | 179 | 0 | 0 | 0 | 0 | 106.6 | Q124 N128 | Q124-V126 PolarHBondContact O-N 3.16Å; V126-N128 PolarHBondContact O-N 3.2Å | ||
| 127 | R | 54.4 | Low | 54.8 | Low | 219 Ų | 219 | 149.3 Ų | 149.3 | 83% | 0.826 | 72% | 0.723 | S | S | * | * | trans | -64.2 | 115.8 | 172 | -67.3 | -179.3 | -179.7 | 167.5 | 0.2 | 106.4 | I125 K129 | I125-R127 PolarHBondContact O-N 3.25Å; R127-K129 PolarHBondContact O-N 3.2Å | ||
| 128 | N | 54 | Low | 56.4 | Low | 88 Ų | 88 | 151.7 Ų | 151.7 | 47% | 0.471 | 73% | 0.731 | S | S | . | * | trans | -50 | 127.8 | 165.9 | -95.8 | 11.3 | 0 | 0 | 0 | 107.1 | V126 E130 | V126-N128 PolarHBondContact O-N 3.2Å; N128-E130 HydrophobicContact CB-CB 4.43Å; N128-E130 PolarHBondContact ND2-OE2 3.19Å; N128-E130 PolarHBondContact O-N 3.41Å | ||
| 129 | K | 59.5 | Low | 58.2 | Low | 213 Ų | 213 | 156.9 Ų | 156.9 | 93% | 0.926 | 73% | 0.729 | S | S | * | * | trans | -75.5 | 10.8 | 173.1 | -72.1 | -173.7 | 177.6 | -179.4 | 0 | 112.3 | R127 S131 | R127-K129 PolarHBondContact O-N 3.2Å; K129-S131 PolarHBondContact O-N 2.79Å | ||
| 130 | E | 55 | Low | 60.2 | Low | 147 Ų | 147 | 150.7 Ų | 150.7 | 69% | 0.687 | 71% | 0.71 | S | S | * | * | trans | -73.6 | 114.6 | 172.9 | -71.5 | 167.9 | 161.9 | 0 | 0 | 107.7 | N128 F132 | N128-E130 HydrophobicContact CB-CB 4.43Å; N128-E130 PolarHBondContact ND2-OE2 3.19Å; N128-E130 PolarHBondContact O-N 3.41Å; E130-F132 PolarHBondContact O-N 2.95Å; E130-F132 VanDerWaalsContact O-N 3.08Å | ||
| 131 | S | 54.2 | Low | 62.5 | Low | 90 Ų | 90 | 145.5 Ų | 145.5 | 63% | 0.629 | 70% | 0.695 | S | S | * | * | trans | -57.8 | 114.7 | 169 | 38.8 | 0 | 0 | 0 | 0 | 107.6 | K129 T133 | K129-S131 PolarHBondContact O-N 2.79Å; S131-T133 PolarHBondContact O-N 3.43Å; S131-T133 PolarHBondContact O-OG1 3.3Å; S131-T133 WeakPolarHBondContact OG-CG2 3.48Å | ||
| 132 | F | 58.4 | Low | 64.2 | Low | 205 Ų | 205 | 138.8 Ų | 138.8 | 90% | 0.899 | 67% | 0.673 | S | S | * | * | trans | -60.4 | 89.4 | 164.2 | -128.2 | -92.3 | 0 | 0 | 0 | 106.1 | E130 K134 | E130-F132 PolarHBondContact O-N 2.95Å; E130-F132 VanDerWaalsContact O-N 3.08Å; F132-K134 VanDerWaalsContact C-N 3.27Å; F132-K134 PolarHBondContact O-N 2.83Å | ||
| 133 | T | 59.1 | Low | 66.1 | Low | 112 Ų | 112 | 137.3 Ų | 137.3 | 69% | 0.687 | 67% | 0.665 | S | S | * | * | trans | -84.8 | -2.7 | -165.8 | 26.9 | 0 | 0 | 0 | 0 | 112.8 | S131 | S131-T133 PolarHBondContact O-N 3.43Å; S131-T133 PolarHBondContact O-OG1 3.3Å; S131-T133 WeakPolarHBondContact OG-CG2 3.48Å | ||
| 134 | K | 65.4 | Low | 67.8 | Low | 174 Ų | 174 | 135.3 Ų | 135.3 | 76% | 0.757 | 66% | 0.662 | S | S | * | * | trans | -121.1 | 100.8 | -176.7 | -63 | -176.1 | -178.3 | 178.4 | 0 | 109.2 | F132 | F132-K134 VanDerWaalsContact C-N 3.27Å; F132-K134 PolarHBondContact O-N 2.83Å | ||
| 135 | N | 68.8 | Low | 69.8 | Low | 94 Ų | 94 | 135.8 Ų | 135.8 | 50% | 0.503 | 66% | 0.662 | S | S | . | * | trans | -68.7 | 150.4 | 159.7 | -77.2 | -35.9 | 0 | 0 | 0 | 108.3 | R139 E140 | N135-R139 HydrophobicContact CB-CB 4.31Å; N135-E140 HydrophobicContact CB-CG 3.95Å | ||
| 136 | S | 78 | Confident | 71.1 | Confident | 67 Ų | 67 | 137.4 Ų | 137.4 | 47% | 0.469 | 67% | 0.666 | S | S | . | * | trans | -63.2 | 146.1 | 172.1 | 61.5 | 0 | 0 | 0 | 0 | 109.8 | Y138 R139 E140 | S136-Y138 PolarHBondContact O-N 3.34Å; S136-R139 WeakPolarHBondContact O-CB 3.5Å; S136-R139 PolarHBondContact O-N 3.17Å; S136-E140 PolarHBondContact O-N 3.45Å | ||
| 137 | L | 80.7 | Confident | 72.3 | Confident | 118 Ų | 118 | 136 Ų | 136 | 62% | 0.618 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -48.2 | -37.3 | 177.6 | -166.2 | 86.7 | 0 | 0 | 0 | 112.1 | E140 Q141 | L137-E140 PolarHBondContact O-N 3.07Å; L137-Q141 WeakPolarHBondContact O-CB 3.34Å; L137-Q141 WeakPolarHBondContact O-CG 3.46Å; L137-Q141 PolarHBondContact O-N 2.7Å |
| 138 | Y | 80.2 | Confident | 73.4 | Confident | 161 Ų | 161 | 132.8 Ų | 132.8 | 63% | 0.631 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -63.3 | -44 | 176.1 | -177.1 | -94.3 | 0 | 0 | 0 | 113.2 | S136 E140 Q141 F142 | S136-Y138 PolarHBondContact O-N 3.34Å; Y138-E140 PolarHBondContact O-N 3.01Å; Y138-Q141 PolarHBondContact O-N 2.92Å; Y138-F142 AromaticContact CD2-CD2 3.59Å; Y138-F142 HydrophobicContact CD2-CD2 3.59Å; Y138-F142 AromaticContact CD2-CE2 3.98Å; Y138-F142 HydrophobicContact CD2-CE2 3.98Å; Y138-F142 HydrophobicContact CD2-CG 4.46Å; Y138-F142 AromaticContact CE2-CD2 3.66Å; Y138-F142 HydrophobicContact CE2-CD2 3.66Å; Y138-F142 HydrophobicContact CE2-CE2 4.1Å; Y138-F142 HydrophobicContact CE2-CG 4.14Å; Y138-F142 HydrophobicContact CG-CD2 4.22Å; Y138-F142 WeakPolarHBondContact O-CD2 3.44Å; Y138-F142 PolarHBondContact O-N 3.36Å |
| 139 | R | 80.9 | Confident | 74 | Confident | 179 Ų | 179 | 137.1 Ų | 137.1 | 68% | 0.675 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -65.6 | -30 | 178.4 | -81.7 | -176.1 | 171.8 | -148.5 | -1.2 | 112.3 | N135 S136 | N135-R139 HydrophobicContact CB-CB 4.31Å; S136-R139 WeakPolarHBondContact O-CB 3.5Å; S136-R139 PolarHBondContact O-N 3.17Å |
| 140 | E | 82.1 | Confident | 74.2 | Confident | 118 Ų | 118 | 133.1 Ų | 133.1 | 55% | 0.551 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -77.2 | -39 | 175.9 | -65.9 | -177.4 | 170.5 | 0 | 0 | 112.4 | N135 S136 L137 Y138 | N135-E140 HydrophobicContact CB-CG 3.95Å; S136-E140 PolarHBondContact O-N 3.45Å; L137-E140 PolarHBondContact O-N 3.07Å; Y138-E140 PolarHBondContact O-N 3.01Å |
| 141 | Q | 87.3 | Confident | 74.6 | Confident | 106 Ų | 106 | 134 Ų | 134 | 50% | 0.495 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -81.7 | -23.1 | -176.3 | -70.9 | 179.2 | -6.3 | 0 | 0 | 114.2 | L137 Y138 P143 | L137-Q141 WeakPolarHBondContact O-CB 3.34Å; L137-Q141 WeakPolarHBondContact O-CG 3.46Å; L137-Q141 PolarHBondContact O-N 2.7Å; Y138-Q141 PolarHBondContact O-N 2.92Å; Q141-P143 WeakPolarHBondContact O-CD 3.43Å |
| 142 | F | 82.5 | Confident | 74.6 | Confident | 119 Ų | 119 | 135 Ų | 135 | 52% | 0.522 | 69% | 0.685 | S | S | . | * | trans | -126 | 57.8 | -175.4 | -59.8 | -85.5 | 0 | 0 | 0 | 113.4 | Y138 | Y138-F142 AromaticContact CD2-CD2 3.59Å; Y138-F142 HydrophobicContact CD2-CD2 3.59Å; Y138-F142 AromaticContact CD2-CE2 3.98Å; Y138-F142 HydrophobicContact CD2-CE2 3.98Å; Y138-F142 HydrophobicContact CD2-CG 4.46Å; Y138-F142 AromaticContact CE2-CD2 3.66Å; Y138-F142 HydrophobicContact CE2-CD2 3.66Å; Y138-F142 HydrophobicContact CE2-CE2 4.1Å; Y138-F142 HydrophobicContact CE2-CG 4.14Å; Y138-F142 HydrophobicContact CG-CD2 4.22Å; Y138-F142 WeakPolarHBondContact O-CD2 3.44Å; Y138-F142 PolarHBondContact O-N 3.36Å | ||
| 143 | P | 85.8 | Confident | 74.9 | Confident | 70 Ų | 70 | 131.7 Ų | 131.7 | 46% | 0.455 | 68% | 0.681 | S | S | . | * | P | Polyproline II helix | trans | -66.6 | 160 | 165.5 | 31.6 | -34.4 | 0 | 0 | 0 | 110.1 | Q141 K145 | Q141-P143 WeakPolarHBondContact O-CD 3.43Å; P143-K145 PolarHBondContact O-N 2.91Å; P143-K145 VanDerWaalsContact O-N 3.1Å |
| 144 | P | 84 | Confident | 75.2 | Confident | 134 Ų | 134 | 134.7 Ų | 134.7 | 87% | 0.87 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 119.1 | 169.9 | -20.6 | 31.5 | 0 | 0 | 0 | 109.8 | ||
| 145 | K | 87.2 | Confident | 75.1 | Confident | 171 Ų | 171 | 132.4 Ų | 132.4 | 74% | 0.743 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -97.1 | 124.1 | 176.5 | -63.3 | -177.6 | -177 | 179.6 | 0 | 108.4 | P143 | P143-K145 PolarHBondContact O-N 2.91Å; P143-K145 VanDerWaalsContact O-N 3.1Å |
| 146 | E | 82.2 | Confident | 75 | Confident | 185 Ų | 185 | 133.7 Ų | 133.7 | 86% | 0.864 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 132.4 | 167.8 | -66.6 | -174.6 | 172.6 | 0 | 0 | 108.4 | ||
| 147 | A | 78.5 | Confident | 74.4 | Confident | 87 Ų | 87 | 138.2 Ų | 138.2 | 72% | 0.719 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -70 | 137.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | H149 | A147-H149 PolarHBondContact O-N 3.36Š|
| 148 | D | 78.2 | Confident | 73.8 | Confident | 150 Ų | 150 | 137.7 Ų | 137.7 | 80% | 0.802 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 137.4 | 171.1 | -73.2 | -30.5 | 0 | 0 | 0 | 109.4 | V150 | D148-V150 PolarHBondContact O-N 3.4Š|
| 149 | H | 66.4 | Low | 72.8 | Confident | 180 Ų | 180 | 134 Ų | 134 | 83% | 0.833 | 70% | 0.704 | S | S | * | * | trans | -64 | 86.6 | 173.5 | -86.3 | 34.9 | 0 | 0 | 0 | 109 | A147 Q151 | A147-H149 PolarHBondContact O-N 3.36Å; H149-Q151 VanDerWaalsContact C-N 3.28Å; H149-Q151 PolarHBondContact O-N 2.97Å | ||
| 150 | V | 64.1 | Low | 72 | Confident | 129 Ų | 129 | 133.2 Ų | 133.2 | 78% | 0.782 | 71% | 0.712 | S | S | * | * | trans | -65.3 | 97.8 | 164.4 | -177.6 | 0 | 0 | 0 | 0 | 105.4 | D148 P152 | D148-V150 PolarHBondContact O-N 3.4Å; V150-P152 WeakPolarHBondContact O-CD 3.3Å; V150-P152 VanDerWaalsContact O-N 3.15Å | ||
| 151 | Q | 63.3 | Low | 70.6 | Confident | 164 Ų | 164 | 136.9 Ų | 136.9 | 77% | 0.766 | 73% | 0.726 | S | S | * | * | trans | -54.1 | 124.4 | 173.3 | -71 | -172.2 | 5.1 | 0 | 0 | 107.2 | H149 V153 | H149-Q151 VanDerWaalsContact C-N 3.28Å; H149-Q151 PolarHBondContact O-N 2.97Å; Q151-V153 PolarHBondContact O-N 3.2Å | ||
| 152 | P | 54.2 | Low | 69.4 | Low | 113 Ų | 113 | 137.8 Ų | 137.8 | 73% | 0.734 | 74% | 0.739 | S | S | * | * | trans | -61.1 | 111.5 | 176 | 23.5 | -30.7 | 0 | 0 | 0 | 107.2 | V150 K154 | V150-P152 WeakPolarHBondContact O-CD 3.3Å; V150-P152 VanDerWaalsContact O-N 3.15Å; P152-K154 VanDerWaalsContact C-N 3.35Å; P152-K154 PolarHBondContact O-N 3.1Å | ||
| 153 | V | 64.8 | Low | 68.3 | Low | 135 Ų | 135 | 137.7 Ų | 137.7 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | trans | -59.9 | 104.2 | 169.8 | 179.8 | 0 | 0 | 0 | 0 | 105.7 | Q151 | Q151-V153 PolarHBondContact O-N 3.2Š| ||
| 154 | K | 63.7 | Low | 67.5 | Low | 174 Ų | 174 | 142.4 Ų | 142.4 | 76% | 0.757 | 77% | 0.769 | S | S | * | * | trans | -59.2 | 131.8 | 175.1 | -70.6 | -179.3 | -179.2 | 175.2 | 0 | 107 | P152 V156 | P152-K154 VanDerWaalsContact C-N 3.35Å; P152-K154 PolarHBondContact O-N 3.1Å; K154-V156 PolarHBondContact O-N 2.98Å | ||
| 155 | P | 64.4 | Low | 66.6 | Low | 126 Ų | 126 | 144.4 Ų | 144.4 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -59 | 115.9 | 175.2 | 23.3 | -31.4 | 0 | 0 | 0 | 108.6 | H157 | P155-H157 PolarHBondContact O-N 2.87Š| ||
| 156 | V | 66.3 | Low | 65.6 | Low | 122 Ų | 122 | 144.8 Ų | 144.8 | 74% | 0.739 | 77% | 0.766 | S | S | * | * | trans | -75.6 | 111.5 | 174.6 | 179.3 | 0 | 0 | 0 | 0 | 107 | K154 I158 | K154-V156 PolarHBondContact O-N 2.98Å; V156-I158 HydrophobicContact CG1-CG1 4.29Å; V156-I158 PolarHBondContact O-N 2.88Å; V156-I158 VanDerWaalsContact O-N 3.15Å | ||
| 157 | H | 65.3 | Low | 64.7 | Low | 162 Ų | 162 | 141.3 Ų | 141.3 | 75% | 0.75 | 76% | 0.758 | S | S | * | * | trans | -72 | 105 | 172.9 | 178.2 | -95.9 | 0 | 0 | 0 | 109 | P155 P159 | P155-H157 PolarHBondContact O-N 2.87Å; H157-P159 WeakPolarHBondContact O-CD 3.31Å | ||
| 158 | I | 69.3 | Low | 64.3 | Low | 107 Ų | 107 | 142.8 Ų | 142.8 | 55% | 0.549 | 75% | 0.754 | S | S | . | * | trans | -89 | 108.8 | 172.5 | -57.6 | 173 | 0 | 0 | 0 | 107.2 | V156 L160 | V156-I158 HydrophobicContact CG1-CG1 4.29Å; V156-I158 PolarHBondContact O-N 2.88Å; V156-I158 VanDerWaalsContact O-N 3.15Å; I158-L160 PolarHBondContact O-N 2.79Å | ||
| 159 | P | 59.4 | Low | 63.8 | Low | 83 Ų | 83 | 143.2 Ų | 143.2 | 54% | 0.539 | 75% | 0.749 | S | S | . | * | trans | -67.9 | 124.6 | 173.7 | -1.2 | 15.9 | 0 | 0 | 0 | 108.4 | H157 K161 | H157-P159 WeakPolarHBondContact O-CD 3.31Å; P159-K161 PolarHBondContact O-N 3.23Å | ||
| 160 | L | 62.2 | Low | 63.9 | Low | 163 Ų | 163 | 137.5 Ų | 137.5 | 85% | 0.853 | 73% | 0.729 | S | S | * | * | trans | -64.6 | 100.5 | 169.6 | -69.3 | 168.4 | 0 | 0 | 0 | 108.2 | I158 T162 | I158-L160 PolarHBondContact O-N 2.79Å; L160-T162 PolarHBondContact O-N 3.47Å; L160-T162 VanDerWaalsContact O-N 3.08Å | ||
| 161 | K | 52.9 | Low | 64.3 | Low | 194 Ų | 194 | 137.3 Ų | 137.3 | 84% | 0.843 | 72% | 0.722 | S | S | * | * | trans | -76 | 90.9 | 170.4 | -70.9 | -175.1 | 180 | 178.8 | 0 | 108.3 | P159 S163 | P159-K161 PolarHBondContact O-N 3.23Å; K161-S163 PolarHBondContact O-N 3.14Å | ||
| 162 | T | 63.2 | Low | 64.4 | Low | 125 Ų | 125 | 134.4 Ų | 134.4 | 77% | 0.767 | 71% | 0.705 | S | S | * | * | trans | -81.6 | 93.5 | 164.5 | 54.8 | 0 | 0 | 0 | 0 | 107.7 | L160 E164 | L160-T162 PolarHBondContact O-N 3.47Å; L160-T162 VanDerWaalsContact O-N 3.08Å; T162-E164 PolarHBondContact O-N 2.72Å | ||
| 163 | S | 59.9 | Low | 65.2 | Low | 118 Ų | 118 | 132.8 Ų | 132.8 | 83% | 0.825 | 69% | 0.693 | S | S | * | * | trans | -75.5 | -9 | 173.3 | 50.8 | 0 | 0 | 0 | 0 | 112.9 | K161 K165 | K161-S163 PolarHBondContact O-N 3.14Å; S163-K165 PolarHBondContact O-N 3.48Å | ||
| 164 | E | 68.5 | Low | 65.4 | Low | 168 Ų | 168 | 130.7 Ų | 130.7 | 79% | 0.785 | 68% | 0.677 | S | S | * | * | trans | -78.9 | 112.1 | -176.5 | -162.2 | 161.8 | -157.2 | 0 | 0 | 110 | T162 F166 | T162-E164 PolarHBondContact O-N 2.72Å; E164-F166 PolarHBondContact O-N 3.21Å | ||
| 165 | K | 65.1 | Low | 65.9 | Low | 177 Ų | 177 | 128.5 Ų | 128.5 | 77% | 0.77 | 67% | 0.67 | S | S | * | * | trans | -67.1 | 133.2 | 170.4 | -66.7 | -179.3 | -179.4 | 178.3 | 0 | 107.5 | S163 T167 | S163-K165 PolarHBondContact O-N 3.48Å; K165-T167 PolarHBondContact O-N 3.05Å | ||
| 166 | F | 65.6 | Low | 65.9 | Low | 178 Ų | 178 | 127.7 Ų | 127.7 | 78% | 0.781 | 65% | 0.651 | S | S | * | * | trans | -57.8 | 108.9 | 173.4 | -169.4 | -100.8 | 0 | 0 | 0 | 109.7 | E164 D168 | E164-F166 PolarHBondContact O-N 3.21Å; F166-D168 HydrophobicContact CD1-CB 4.38Å; F166-D168 HydrophobicContact CE1-CB 3.77Å; F166-D168 WeakPolarHBondContact CE1-O 3.42Å; F166-D168 HydrophobicContact CE2-CB 4.12Å; F166-D168 HydrophobicContact CZ-CB 3.62Å | ||
| 167 | T | 64.7 | Low | 66.1 | Low | 113 Ų | 113 | 127.1 Ų | 127.1 | 69% | 0.693 | 64% | 0.643 | S | S | * | * | trans | -96.2 | -6.4 | 179.5 | 48.7 | 0 | 0 | 0 | 0 | 113.4 | K165 K169 | K165-T167 PolarHBondContact O-N 3.05Å; T167-K169 PolarHBondContact O-N 3.03Å; T167-K169 VanDerWaalsContact O-N 3.1Å | ||
| 168 | D | 68.4 | Low | 65.9 | Low | 118 Ų | 118 | 128.8 Ų | 128.8 | 63% | 0.631 | 64% | 0.643 | S | S | * | * | trans | -72.5 | 108.4 | -176.3 | -76.7 | -8.2 | 0 | 0 | 0 | 110.7 | F166 | F166-D168 HydrophobicContact CD1-CB 4.38Å; F166-D168 HydrophobicContact CE1-CB 3.77Å; F166-D168 WeakPolarHBondContact CE1-O 3.42Å; F166-D168 HydrophobicContact CE2-CB 4.12Å; F166-D168 HydrophobicContact CZ-CB 3.62Å | ||
| 169 | K | 67.8 | Low | 65.8 | Low | 158 Ų | 158 | 133.2 Ų | 133.2 | 69% | 0.687 | 65% | 0.653 | S | S | * | * | trans | -89.3 | 131.5 | 160.8 | -65.6 | -178.8 | -177.3 | 177.5 | 0 | 107.3 | T167 | T167-K169 PolarHBondContact O-N 3.03Å; T167-K169 VanDerWaalsContact O-N 3.1Å | ||
| 170 | S | 69.5 | Low | 65.9 | Low | 60 Ų | 60 | 134.9 Ų | 134.9 | 42% | 0.42 | 66% | 0.663 | S | S | . | * | trans | -61.6 | 146.4 | 173.5 | 68.9 | 0 | 0 | 0 | 0 | 110.1 | Y172 T173 D174 | S170-Y172 PolarHBondContact O-N 2.77Å; S170-Y172 VanDerWaalsContact O-N 3.08Å; S170-T173 PolarHBondContact N-OG1 3.04Å; S170-T173 VanDerWaalsContact N-OG1 3.14Å; S170-T173 PolarHBondContact O-N 3.15Å; S170-T173 PolarHBondContact O-OG1 3.29Å; S170-T173 WeakPolarHBondContact OG-CG2 3.41Å; S170-T173 PolarHBondContact OG-N 2.78Å; S170-T173 VanDerWaalsContact OG-N 3.09Å; S170-T173 PolarHBondContact OG-OG1 2.87Å; S170-D174 PolarHBondContact O-N 2.72Å | ||
| 171 | I | 72.7 | Confident | 65.8 | Low | 126 Ų | 126 | 134.3 Ų | 134.3 | 65% | 0.646 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -51.8 | -36.1 | 172.3 | -62.7 | 168.4 | 0 | 0 | 0 | 110.2 | T173 D174 E175 | I171-T173 PolarHBondContact O-N 3.07Å; I171-D174 PolarHBondContact O-N 3.32Å; I171-E175 HydrophobicContact CG2-CG 4.09Å; I171-E175 WeakPolarHBondContact CG2-OE1 3.1Å; I171-E175 WeakPolarHBondContact O-CB 3.27Å; I171-E175 WeakPolarHBondContact O-CG 3.49Å; I171-E175 PolarHBondContact O-N 3.17Å |
| 172 | Y | 65.9 | Low | 66 | Low | 103 Ų | 103 | 132.3 Ų | 132.3 | 40% | 0.404 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -59 | -45.3 | 176.1 | -175.4 | -93.3 | 0 | 0 | 0 | 113.2 | S170 D174 E175 Y176 M249 | S170-Y172 PolarHBondContact O-N 2.77Å; S170-Y172 VanDerWaalsContact O-N 3.08Å; Y172-D174 VanDerWaalsContact C-N 3.28Å; Y172-D174 PolarHBondContact O-N 3.44Å; Y172-E175 PolarHBondContact O-N 3.33Å; Y172-Y176 AromaticContact CD2-CD2 3.38Å; Y172-Y176 HydrophobicContact CD2-CD2 3.38Å; Y172-Y176 AromaticContact CD2-CE2 3.48Å; Y172-Y176 HydrophobicContact CD2-CE2 3.48Å; Y172-Y176 VanDerWaalsContact CD2-CE2 3.48Å; Y172-Y176 HydrophobicContact CD2-CG 4.18Å; Y172-Y176 HydrophobicContact CE1-CG 4.5Å; Y172-Y176 HydrophobicContact CE2-CD1 4.15Å; Y172-Y176 AromaticContact CE2-CD2 3.33Å; Y172-Y176 HydrophobicContact CE2-CD2 3.33Å; Y172-Y176 HydrophobicContact CE2-CE1 4.24Å; Y172-Y176 AromaticContact CE2-CE2 3.45Å; Y172-Y176 HydrophobicContact CE2-CE2 3.45Å; Y172-Y176 VanDerWaalsContact CE2-CE2 3.45Å; Y172-Y176 AromaticContact CE2-CG 3.7Å; Y172-Y176 HydrophobicContact CE2-CG 3.7Å; Y172-Y176 AromaticContact CE2-CZ 3.91Å; Y172-Y176 HydrophobicContact CG-CD2 4.01Å; Y172-Y176 HydrophobicContact CG-CE2 4.47Å; Y172-Y176 AromaticContact CZ-CD2 3.91Å; Y172-Y176 AromaticContact CZ-CG 3.85Å; Y172-Y176 WeakPolarHBondContact O-CB 3.44Å; Y172-Y176 WeakPolarHBondContact O-CD2 3.38Å; Y172-Y176 PolarHBondContact O-N 3.08Å; Y172-M249 WeakPolarHBondContact OH-CE 3.16Å; Y172-M249 PolarHBondContact OH-SD 2.92Å |
| 173 | T | 70.8 | Confident | 65.5 | Low | 78 Ų | 78 | 131.1 Ų | 131.1 | 48% | 0.479 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -68.4 | -26.8 | 179.4 | 42.1 | 0 | 0 | 0 | 0 | 113.3 | S170 I171 | S170-T173 PolarHBondContact N-OG1 3.04Å; S170-T173 VanDerWaalsContact N-OG1 3.14Å; S170-T173 PolarHBondContact O-N 3.15Å; S170-T173 PolarHBondContact O-OG1 3.29Å; S170-T173 WeakPolarHBondContact OG-CG2 3.41Å; S170-T173 PolarHBondContact OG-N 2.78Å; S170-T173 VanDerWaalsContact OG-N 3.09Å; S170-T173 PolarHBondContact OG-OG1 2.87Å; I171-T173 PolarHBondContact O-N 3.07Å |
| 174 | D | 68.8 | Low | 64.9 | Low | 91 Ų | 91 | 130.8 Ų | 130.8 | 49% | 0.487 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -84.2 | -31.7 | 177.7 | -72.3 | -12.7 | 0 | 0 | 0 | 112.3 | S170 I171 Y172 I177 | S170-D174 PolarHBondContact O-N 2.72Å; I171-D174 PolarHBondContact O-N 3.32Å; Y172-D174 VanDerWaalsContact C-N 3.28Å; Y172-D174 PolarHBondContact O-N 3.44Å; D174-I177 VanDerWaalsContact O-CD1 3.25Å; D174-I177 WeakPolarHBondContact O-CD1 3.24Å; D174-I177 WeakPolarHBondContact O-CG1 3.49Å |
| 175 | E | 73 | Confident | 64.1 | Low | 129 Ų | 129 | 131.2 Ų | 131.2 | 60% | 0.603 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -86.6 | -31.9 | -178.4 | -70.4 | -174.6 | 173.4 | 0 | 0 | 113.7 | I171 Y172 I177 | I171-E175 HydrophobicContact CG2-CG 4.09Å; I171-E175 WeakPolarHBondContact CG2-OE1 3.1Å; I171-E175 WeakPolarHBondContact O-CB 3.27Å; I171-E175 WeakPolarHBondContact O-CG 3.49Å; I171-E175 PolarHBondContact O-N 3.17Å; Y172-E175 PolarHBondContact O-N 3.33Å; E175-I177 PolarHBondContact O-N 3.03Å |
| 176 | Y | 65.2 | Low | 63.4 | Low | 109 Ų | 109 | 126.6 Ų | 126.6 | 43% | 0.427 | 62% | 0.619 | S | S | . | * | S | Bend | trans | -99.4 | 58.5 | -176.9 | -68.9 | -96 | 0 | 0 | 0 | 112.2 | Y172 | Y172-Y176 AromaticContact CD2-CD2 3.38Å; Y172-Y176 HydrophobicContact CD2-CD2 3.38Å; Y172-Y176 AromaticContact CD2-CE2 3.48Å; Y172-Y176 HydrophobicContact CD2-CE2 3.48Å; Y172-Y176 VanDerWaalsContact CD2-CE2 3.48Å; Y172-Y176 HydrophobicContact CD2-CG 4.18Å; Y172-Y176 HydrophobicContact CE1-CG 4.5Å; Y172-Y176 HydrophobicContact CE2-CD1 4.15Å; Y172-Y176 AromaticContact CE2-CD2 3.33Å; Y172-Y176 HydrophobicContact CE2-CD2 3.33Å; Y172-Y176 HydrophobicContact CE2-CE1 4.24Å; Y172-Y176 AromaticContact CE2-CE2 3.45Å; Y172-Y176 HydrophobicContact CE2-CE2 3.45Å; Y172-Y176 VanDerWaalsContact CE2-CE2 3.45Å; Y172-Y176 AromaticContact CE2-CG 3.7Å; Y172-Y176 HydrophobicContact CE2-CG 3.7Å; Y172-Y176 AromaticContact CE2-CZ 3.91Å; Y172-Y176 HydrophobicContact CG-CD2 4.01Å; Y172-Y176 HydrophobicContact CG-CE2 4.47Å; Y172-Y176 AromaticContact CZ-CD2 3.91Å; Y172-Y176 AromaticContact CZ-CG 3.85Å; Y172-Y176 WeakPolarHBondContact O-CB 3.44Å; Y172-Y176 WeakPolarHBondContact O-CD2 3.38Å; Y172-Y176 PolarHBondContact O-N 3.08Å |
| 177 | I | 71.2 | Confident | 62.5 | Low | 110 Ų | 110 | 126 Ų | 126 | 56% | 0.564 | 62% | 0.618 | S | S | * | * | trans | -85.4 | 140.3 | 173.8 | -50.4 | 167.4 | 0 | 0 | 0 | 109.2 | D174 E175 R179 | D174-I177 VanDerWaalsContact O-CD1 3.25Å; D174-I177 WeakPolarHBondContact O-CD1 3.24Å; D174-I177 WeakPolarHBondContact O-CG1 3.49Å; E175-I177 PolarHBondContact O-N 3.03Å; I177-R179 PolarHBondContact O-N 3.28Å; I177-R179 VanDerWaalsContact O-N 3.16Å | ||
| 178 | W | 59.9 | Low | 61.6 | Low | 197 Ų | 197 | 125 Ų | 125 | 75% | 0.746 | 62% | 0.616 | S | S | * | * | trans | -54.4 | 117.4 | 169.8 | -76.6 | 94.3 | 0 | 0 | 0 | 111.2 | P247 | W178-P247 HydrophobicContact CH2-CB 3.41Å; W178-P247 VanDerWaalsContact CH2-CB 3.41Å; W178-P247 HydrophobicContact CH2-CG 3.52Å; W178-P247 HydrophobicContact CZ2-CB 3.86Å; W178-P247 HydrophobicContact CZ2-CG 3.54Å; W178-P247 HydrophobicContact CZ3-CB 4.13Å | ||
| 179 | R | 67.5 | Low | 60.7 | Low | 200 Ų | 200 | 128.4 Ų | 128.4 | 76% | 0.755 | 63% | 0.625 | S | S | * | * | trans | -116.3 | 135.5 | 173.1 | -65.5 | -169.3 | -176.1 | -156.1 | 0.1 | 110.9 | I177 I181 | I177-R179 PolarHBondContact O-N 3.28Å; I177-R179 VanDerWaalsContact O-N 3.16Å; R179-I181 PolarHBondContact O-N 3.04Å | ||
| 180 | P | 60.6 | Low | 59.5 | Low | 117 Ų | 117 | 128.8 Ų | 128.8 | 76% | 0.76 | 63% | 0.629 | S | S | * | * | trans | -66.9 | 131.3 | 172.6 | 26.9 | -31.4 | 0 | 0 | 0 | 109.9 | I182 | P180-I182 PolarHBondContact O-N 3.23Š| ||
| 181 | I | 60.9 | Low | 58.3 | Low | 151 Ų | 151 | 133.8 Ų | 133.8 | 77% | 0.774 | 65% | 0.646 | S | S | * | * | trans | -79.5 | 110 | 173.4 | -59.2 | 171.6 | 0 | 0 | 0 | 107.2 | R179 I183 | R179-I181 PolarHBondContact O-N 3.04Å; I181-I183 HydrophobicContact CG2-CG1 4.12Å; I181-I183 PolarHBondContact O-N 2.69Å | ||
| 182 | I | 56.6 | Low | 56.6 | Low | 152 Ų | 152 | 138 Ų | 138 | 78% | 0.779 | 66% | 0.659 | S | S | * | * | trans | -81.3 | 107.4 | 170.6 | -57.3 | 174.2 | 0 | 0 | 0 | 106.8 | P180 D184 | P180-I182 PolarHBondContact O-N 3.23Å; I182-D184 PolarHBondContact O-N 2.95Å | ||
| 183 | I | 54 | Low | 55.4 | Low | 100 Ų | 100 | 139.5 Ų | 139.5 | 51% | 0.513 | 67% | 0.674 | S | S | . | * | trans | -83.9 | 105.4 | 171.6 | -57.9 | 173.4 | 0 | 0 | 0 | 107.1 | I181 Y185 | I181-I183 HydrophobicContact CG2-CG1 4.12Å; I181-I183 PolarHBondContact O-N 2.69Å; I183-Y185 HydrophobicContact CB-CD2 4.19Å; I183-Y185 HydrophobicContact CB-CE2 3.7Å; I183-Y185 HydrophobicContact CG2-CD1 4.12Å; I183-Y185 HydrophobicContact CG2-CD2 3.86Å; I183-Y185 HydrophobicContact CG2-CE1 3.83Å; I183-Y185 HydrophobicContact CG2-CE2 3.55Å; I183-Y185 HydrophobicContact CG2-CG 4.14Å; I183-Y185 VanDerWaalsContact O-CD2 3.22Å; I183-Y185 WeakPolarHBondContact O-CD2 3.47Å; I183-Y185 PolarHBondContact O-N 2.66Å | ||
| 184 | D | 46.1 | Very low | 53.7 | Low | 112 Ų | 112 | 147.7 Ų | 147.7 | 60% | 0.599 | 70% | 0.696 | S | S | * | * | trans | -78.8 | 87.9 | 176.1 | -144 | -19.9 | 0 | 0 | 0 | 109.3 | I182 S186 | I182-D184 PolarHBondContact O-N 2.95Å; D184-S186 PolarHBondContact O-N 2.7Å; D184-S186 VanDerWaalsContact O-N 3.08Å; D184-S186 PolarHBondContact OD1-OG 2.88Å | ||
| 185 | Y | 52.5 | Low | 52.3 | Low | 176 Ų | 176 | 149.5 Ų | 149.5 | 69% | 0.69 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -5.2 | 180 | -71.9 | -82 | 0 | 0 | 0 | 113.4 | I183 | I183-Y185 HydrophobicContact CB-CD2 4.19Å; I183-Y185 HydrophobicContact CB-CE2 3.7Å; I183-Y185 HydrophobicContact CG2-CD1 4.12Å; I183-Y185 HydrophobicContact CG2-CD2 3.86Å; I183-Y185 HydrophobicContact CG2-CE1 3.83Å; I183-Y185 HydrophobicContact CG2-CE2 3.55Å; I183-Y185 HydrophobicContact CG2-CG 4.14Å; I183-Y185 VanDerWaalsContact O-CD2 3.22Å; I183-Y185 WeakPolarHBondContact O-CD2 3.47Å; I183-Y185 PolarHBondContact O-N 2.66Å |
| 186 | S | 49.8 | Very low | 50.4 | Low | 80 Ų | 80 | 149.6 Ų | 149.6 | 56% | 0.559 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | -16 | -173.6 | 65.5 | 0 | 0 | 0 | 0 | 114.3 | D184 | D184-S186 PolarHBondContact O-N 2.7Å; D184-S186 VanDerWaalsContact O-N 3.08Å; D184-S186 PolarHBondContact OD1-OG 2.88Å |
| 187 | H | 45.8 | Very low | 49.3 | Very low | 165 Ų | 165 | 150 Ų | 150 | 76% | 0.764 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -116.8 | 4.8 | -171.9 | -76.2 | 47.9 | 0 | 0 | 0 | 115.2 | K189 | H187-K189 PolarHBondContact O-N 3.05Š|
| 188 | S | 45.8 | Very low | 47.6 | Very low | 93 Ų | 93 | 153.4 Ų | 153.4 | 65% | 0.65 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | 17.9 | -171.8 | 54.7 | 0 | 0 | 0 | 0 | 115.8 | ||
| 189 | K | 50.3 | Low | 46.3 | Very low | 189 Ų | 189 | 152.4 Ų | 152.4 | 82% | 0.822 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -11.8 | 179.3 | -78.2 | -172.3 | 177.6 | 179.5 | 0 | 115.6 | H187 | H187-K189 PolarHBondContact O-N 3.05Š|
| 190 | H | 43.8 | Very low | 45.1 | Very low | 166 Ų | 166 | 149.5 Ų | 149.5 | 77% | 0.769 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -134.5 | 7 | -165.7 | -74.1 | -69.9 | 0 | 0 | 0 | 119.4 | ||
| 191 | H | 42.6 | Very low | 44.2 | Very low | 166 Ų | 166 | 149.9 Ų | 149.9 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | trans | -122.4 | 95 | 173.5 | -89.6 | -69 | 0 | 0 | 0 | 113 | L193 | H191-L193 HydrophobicContact CB-CD1 4.38Å; H191-L193 PolarHBondContact O-N 2.71Å | ||
| 192 | K | 37.4 | Very low | 43.3 | Very low | 213 Ų | 213 | 147.9 Ų | 147.9 | 93% | 0.926 | 74% | 0.744 | S | S | * | * | trans | -68.3 | 70.9 | 157.9 | -78.5 | -179.9 | 176.2 | 175 | 0 | 109.2 | ||||
| 193 | L | 41.5 | Very low | 43 | Very low | 136 Ų | 136 | 149.8 Ų | 149.8 | 71% | 0.712 | 75% | 0.747 | S | S | * | * | trans | -90.5 | 104.6 | 163.4 | -79.8 | 163.8 | 0 | 0 | 0 | 107.2 | H191 L195 | H191-L193 HydrophobicContact CB-CD1 4.38Å; H191-L193 PolarHBondContact O-N 2.71Å; L193-L195 PolarHBondContact O-N 3.45Å | ||
| 194 | R | 34.1 | Very low | 42.5 | Very low | 249 Ų | 249 | 151.1 Ų | 151.1 | 94% | 0.94 | 76% | 0.762 | S | S | * | * | trans | -65.2 | 94.2 | 170.4 | -78.5 | -177.1 | 170.5 | 171.7 | -3 | 108.4 | ||||
| 195 | L | 39.9 | Very low | 42.5 | Very low | 129 Ų | 129 | 156.8 Ų | 156.8 | 68% | 0.675 | 78% | 0.775 | S | S | * | * | trans | -97 | 141 | 160.6 | -70.8 | 171.7 | 0 | 0 | 0 | 108.4 | L193 I197 | L193-L195 PolarHBondContact O-N 3.45Å; L195-I197 VanDerWaalsContact C-N 3.32Å; L195-I197 HydrophobicContact CB-CD1 4.42Å; L195-I197 HydrophobicContact CB-CG1 4.2Å; L195-I197 PolarHBondContact O-N 3.21Å | ||
| 196 | P | 34 | Very low | 42.1 | Very low | 132 Ų | 132 | 155.4 Ų | 155.4 | 86% | 0.857 | 78% | 0.78 | S | S | * | * | trans | -74.9 | 90.7 | 177.3 | 31.4 | -29.3 | 0 | 0 | 0 | 107.7 | ||||
| 197 | I | 41.3 | Very low | 41.9 | Very low | 118 Ų | 118 | 160.1 Ų | 160.1 | 61% | 0.605 | 79% | 0.793 | S | S | * | * | trans | -106.8 | 89.6 | 173.3 | -56.1 | 177.9 | 0 | 0 | 0 | 106.4 | L195 I200 | L195-I197 VanDerWaalsContact C-N 3.32Å; L195-I197 HydrophobicContact CB-CD1 4.42Å; L195-I197 HydrophobicContact CB-CG1 4.2Å; L195-I197 PolarHBondContact O-N 3.21Å; I197-I200 HydrophobicContact CG2-CG1 4.33Å | ||
| 198 | E | 35 | Very low | 42 | Very low | 181 Ų | 181 | 156.7 Ų | 156.7 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | trans | -62.3 | 135.2 | 150.8 | -72.8 | -174.1 | 154 | 0 | 0 | 107.7 | ||||
| 199 | M | 33.6 | Very low | 41.9 | Very low | 176 Ų | 176 | 158.8 Ų | 158.8 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | trans | 75.3 | 71.6 | 165.6 | -55.1 | 178.8 | 59.2 | 0 | 0 | 118.6 | ||||
| 200 | I | 41.3 | Very low | 41.4 | Very low | 138 Ų | 138 | 158.4 Ų | 158.4 | 71% | 0.708 | 80% | 0.795 | S | S | * | * | trans | -135.9 | 115.4 | 139.3 | -55.4 | 178.1 | 0 | 0 | 0 | 107.6 | I197 S202 | I197-I200 HydrophobicContact CG2-CG1 4.33Å; I200-S202 PolarHBondContact O-N 3.43Å; I200-S202 VanDerWaalsContact O-N 3.12Å | ||
| 201 | P | 42.7 | Very low | 41.2 | Very low | 125 Ų | 125 | 157 Ų | 157 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | trans | -65.7 | 115.9 | 172.6 | -11.3 | 26.1 | 0 | 0 | 0 | 108.6 | K203 | P201-K203 PolarHBondContact O-N 2.91Š| ||
| 202 | S | 41 | Very low | 40.9 | Very low | 110 Ų | 110 | 153.9 Ų | 153.9 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | -50.6 | 125.2 | 167.2 | 50.8 | 0 | 0 | 0 | 0 | 110.5 | I200 | I200-S202 PolarHBondContact O-N 3.43Å; I200-S202 VanDerWaalsContact O-N 3.12Å | ||
| 203 | K | 50.2 | Low | 41.1 | Very low | 191 Ų | 191 | 152 Ų | 152 | 83% | 0.83 | 79% | 0.787 | S | S | * | * | S | Bend | trans | 29.9 | 130.6 | 161.7 | -68.6 | -176.8 | 176.3 | -176.6 | 0 | 117.7 | P201 R205 | P201-K203 PolarHBondContact O-N 2.91Å; K203-R205 PolarHBondContact O-N 3.32Å |
| 204 | P | 44.3 | Very low | 40.6 | Very low | 129 Ų | 129 | 148.2 Ų | 148.2 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | trans | -59.2 | 119.5 | 172.9 | 29.3 | -31.5 | 0 | 0 | 0 | 107.7 | D206 | P204-D206 PolarHBondContact O-N 2.89Š| ||
| 205 | R | 45.8 | Very low | 40.6 | Very low | 231 Ų | 231 | 145.2 Ų | 145.2 | 87% | 0.872 | 78% | 0.777 | S | S | * | * | trans | -68.1 | 122.5 | 170.3 | -149.8 | 176 | -171.3 | 174.9 | 0.9 | 104.8 | K203 E207 | K203-R205 PolarHBondContact O-N 3.32Å; R205-E207 PolarHBondContact O-N 3.16Å | ||
| 206 | D | 44 | Very low | 40.3 | Very low | 147 Ų | 147 | 146.1 Ų | 146.1 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | trans | -51.1 | 110 | 172.9 | -89.6 | -37.8 | 0 | 0 | 0 | 109 | P204 S208 | P204-D206 PolarHBondContact O-N 2.89Å; D206-S208 PolarHBondContact O-N 3.41Å | ||
| 207 | E | 46.1 | Very low | 40.3 | Very low | 178 Ų | 178 | 145.3 Ų | 145.3 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | -81.3 | 19.5 | 175.5 | -67.5 | -169.3 | 164.1 | 0 | 0 | 111.9 | R205 N209 | R205-E207 PolarHBondContact O-N 3.16Å; E207-N209 PolarHBondContact O-N 3.28Å | ||
| 208 | S | 47.9 | Very low | 39.9 | Very low | 94 Ų | 94 | 147.7 Ų | 147.7 | 66% | 0.657 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | 9.7 | -179.1 | 64.9 | 0 | 0 | 0 | 0 | 114.6 | D206 | D206-S208 PolarHBondContact O-N 3.41Š|
| 209 | N | 44.2 | Very low | 39.7 | Very low | 136 Ų | 136 | 144.4 Ų | 144.4 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.9 | 8.4 | -175.4 | -84.3 | -17.3 | 0 | 0 | 0 | 115.7 | E207 I211 | E207-N209 PolarHBondContact O-N 3.28Å; N209-I211 VanDerWaalsContact C-N 3.34Å; N209-I211 PolarHBondContact O-N 3.17Å; N209-I211 VanDerWaalsContact O-N 3.17Å |
| 210 | M | 38.6 | Very low | 40 | Very low | 181 Ų | 181 | 140.6 Ų | 140.6 | 89% | 0.892 | 78% | 0.779 | S | S | * | * | trans | -92 | 78.8 | 172.4 | -68.6 | -153 | 74.1 | 0 | 0 | 110.9 | ||||
| 211 | I | 40.9 | Very low | 39.6 | Very low | 136 Ų | 136 | 140.1 Ų | 140.1 | 70% | 0.697 | 79% | 0.785 | S | S | * | * | trans | -51.2 | 134.6 | 168.3 | -65.8 | 162.5 | 0 | 0 | 0 | 110 | N209 I213 | N209-I211 VanDerWaalsContact C-N 3.34Å; N209-I211 PolarHBondContact O-N 3.17Å; N209-I211 VanDerWaalsContact O-N 3.17Å; I211-I213 PolarHBondContact O-N 3.38Å | ||
| 212 | S | 35.6 | Very low | 39.4 | Very low | 101 Ų | 101 | 137.7 Ų | 137.7 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | trans | -26.3 | 112.7 | 166.5 | 55 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 213 | I | 41.2 | Very low | 39.1 | Very low | 175 Ų | 175 | 139.4 Ų | 139.4 | 90% | 0.897 | 79% | 0.788 | S | S | * | * | trans | -125.8 | 58.7 | 157.6 | -47.9 | 174.8 | 0 | 0 | 0 | 107.5 | I211 | I211-I213 PolarHBondContact O-N 3.38Š| ||
| 214 | G | 31.1 | Very low | 38.6 | Very low | 55 Ų | 55 | 134.6 Ų | 134.6 | 57% | 0.567 | 78% | 0.779 | S | S | * | * | trans | -120.2 | 139 | 153.5 | 0 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 215 | E | 34.2 | Very low | 38.3 | Very low | 186 Ų | 186 | 134.1 Ų | 134.1 | 87% | 0.869 | 78% | 0.776 | S | S | * | * | trans | 89.9 | 83.2 | -175.8 | -51.9 | 178.4 | 174.5 | 0 | 0 | 115.1 | ||||
| 216 | N | 33.6 | Very low | 38.6 | Very low | 149 Ų | 149 | 132.1 Ų | 132.1 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | 176 | 124.6 | 106.3 | -100.4 | -25.8 | 0 | 0 | 0 | 113.2 | |||||
| 217 | V | 34.4 | Very low | 38.8 | Very low | 115 Ų | 115 | 132.4 Ų | 132.4 | 70% | 0.697 | 77% | 0.774 | S | S | * | * | 73.6 | 103.8 | 129.5 | -175 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 218 | M | 31.6 | Very low | 39.1 | Very low | 168 Ų | 168 | 132.9 Ų | 132.9 | 83% | 0.828 | 77% | 0.774 | S | S | * | * | 25.3 | 128.1 | 122.5 | -50.1 | -78.7 | -97.6 | 0 | 0 | 115.5 | |||||
| 219 | S | 31.5 | Very low | 39.2 | Very low | 111 Ų | 111 | 137.7 Ų | 137.7 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | cis | 172.6 | 163.6 | 23.1 | 35.4 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 220 | A | 38.8 | Very low | 39.7 | Very low | 96 Ų | 96 | 135.2 Ų | 135.2 | 79% | 0.793 | 77% | 0.769 | S | S | * | * | trans | 99 | 153.1 | 166.1 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 221 | P | 34.6 | Very low | 40.6 | Very low | 129 Ų | 129 | 130.5 Ų | 130.5 | 84% | 0.838 | 75% | 0.751 | S | S | * | * | S | Bend | -126.6 | 147.5 | -58.2 | 34.5 | -20.8 | 0 | 0 | 0 | 111.2 | |||
| 222 | G | 36.9 | Very low | 41.4 | Very low | 74 Ų | 74 | 129 Ų | 129 | 76% | 0.763 | 75% | 0.748 | S | S | * | * | trans | 146.2 | 16.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | S224 | G222-S224 PolarHBondContact O-N 3.48Å; G222-S224 VanDerWaalsContact O-N 3.16Å | ||
| 223 | T | 34.9 | Very low | 42 | Very low | 145 Ų | 145 | 131.6 Ų | 131.6 | 89% | 0.89 | 74% | 0.744 | S | S | * | * | trans | -75.1 | 101.5 | 179.7 | 31.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 224 | S | 40 | Very low | 42.9 | Very low | 90 Ų | 90 | 131.4 Ų | 131.4 | 63% | 0.629 | 73% | 0.732 | S | S | * | * | trans | -62.9 | 144.2 | 147.4 | 49.3 | 0 | 0 | 0 | 0 | 108.9 | G222 K226 | G222-S224 PolarHBondContact O-N 3.48Å; G222-S224 VanDerWaalsContact O-N 3.16Å; S224-K226 PolarHBondContact O-N 2.81Å | ||
| 225 | P | 39 | Very low | 44.2 | Very low | 119 Ų | 119 | 133.8 Ų | 133.8 | 77% | 0.773 | 73% | 0.728 | S | S | * | * | trans | -68.9 | 106.6 | 179.8 | 29.1 | -30.3 | 0 | 0 | 0 | 107.1 | L227 | P225-L227 PolarHBondContact O-N 3.37Š| ||
| 226 | K | 51.6 | Low | 45.3 | Very low | 190 Ų | 190 | 130.4 Ų | 130.4 | 83% | 0.826 | 72% | 0.716 | S | S | * | * | trans | -67.9 | 89.5 | 164.2 | -81.5 | -179.5 | 179.4 | 172.8 | 0 | 106.5 | S224 F228 | S224-K226 PolarHBondContact O-N 2.81Å; K226-F228 PolarHBondContact O-N 2.88Å | ||
| 227 | L | 47.6 | Very low | 46.2 | Very low | 152 Ų | 152 | 129.7 Ų | 129.7 | 80% | 0.796 | 71% | 0.706 | S | S | * | * | trans | -44.2 | 115.9 | 157.3 | -77 | 165.3 | 0 | 0 | 0 | 106.2 | P225 K229 | P225-L227 PolarHBondContact O-N 3.37Å; L227-K229 PolarHBondContact O-N 3.11Å | ||
| 228 | F | 52 | Low | 47.5 | Very low | 189 Ų | 189 | 130.6 Ų | 130.6 | 83% | 0.829 | 70% | 0.703 | S | S | * | * | trans | -53.5 | 107.1 | -177.6 | -87.5 | -95.2 | 0 | 0 | 0 | 108.5 | K226 N230 | K226-F228 PolarHBondContact O-N 2.88Å; F228-N230 PolarHBondContact O-N 3.06Å | ||
| 229 | K | 51.1 | Low | 48.6 | Very low | 194 Ų | 194 | 134.6 Ų | 134.6 | 84% | 0.843 | 71% | 0.708 | S | S | * | * | trans | -78.9 | 64.1 | 169.4 | -67 | -175.3 | -179.7 | -176.8 | 0 | 108.2 | L227 | L227-K229 PolarHBondContact O-N 3.11Š| ||
| 230 | N | 53.9 | Low | 49.2 | Very low | 84 Ų | 84 | 137.4 Ų | 137.4 | 45% | 0.449 | 71% | 0.709 | S | S | . | * | trans | -85.5 | 116.3 | 161.5 | -79.6 | 5.7 | 0 | 0 | 0 | 106.5 | F228 E235 | F228-N230 PolarHBondContact O-N 3.06Å; N230-E235 PolarHBondContact ND2-OE1 2.82Å | ||
| 231 | T | 58.3 | Low | 49.6 | Very low | 82 Ų | 82 | 136.6 Ų | 136.6 | 50% | 0.503 | 70% | 0.702 | S | S | . | * | trans | -85 | 148.7 | 167.5 | 55.5 | 0 | 0 | 0 | 0 | 107.7 | Y233 R234 E235 | T231-Y233 PolarHBondContact O-N 3.12Å; T231-Y233 VanDerWaalsContact O-N 3.15Å; T231-R234 WeakPolarHBondContact O-CB 3.45Å; T231-R234 PolarHBondContact O-N 3.49Å; T231-R234 PolarHBondContact OG1-N 3.22Å; T231-E235 PolarHBondContact O-N 2.85Å | ||
| 232 | T | 57.3 | Low | 49.9 | Very low | 104 Ų | 104 | 139.1 Ų | 139.1 | 64% | 0.638 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -51.4 | -37.5 | 172.8 | 47.6 | 0 | 0 | 0 | 0 | 111.2 | R234 E235 D236 | T232-R234 PolarHBondContact O-N 3.29Å; T232-R234 VanDerWaalsContact O-N 3.14Å; T232-E235 PolarHBondContact O-N 2.97Å; T232-D236 WeakPolarHBondContact O-CB 3.41Å; T232-D236 PolarHBondContact O-N 2.87Å |
| 233 | Y | 47.8 | Very low | 50 | Low | 157 Ų | 157 | 141.2 Ų | 141.2 | 62% | 0.616 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -56.2 | -30.6 | 172.7 | -158.8 | -88 | 0 | 0 | 0 | 114.5 | T231 F237 | T231-Y233 PolarHBondContact O-N 3.12Å; T231-Y233 VanDerWaalsContact O-N 3.15Å; Y233-F237 AromaticContact CD1-CD2 3.88Å; Y233-F237 HydrophobicContact CD1-CD2 3.88Å; Y233-F237 HydrophobicContact CD1-CE2 4.42Å; Y233-F237 AromaticContact CD2-CD2 3.76Å; Y233-F237 HydrophobicContact CD2-CD2 3.76Å; Y233-F237 AromaticContact CD2-CE2 3.5Å; Y233-F237 HydrophobicContact CD2-CE2 3.5Å; Y233-F237 VanDerWaalsContact CD2-CE2 3.5Å; Y233-F237 AromaticContact CE1-CD2 3.84Å; Y233-F237 HydrophobicContact CE1-CD2 3.84Å; Y233-F237 HydrophobicContact CE1-CE2 4.27Å; Y233-F237 HydrophobicContact CE1-CG 4.35Å; Y233-F237 AromaticContact CE2-CD2 3.74Å; Y233-F237 HydrophobicContact CE2-CD2 3.74Å; Y233-F237 AromaticContact CE2-CE2 3.31Å; Y233-F237 HydrophobicContact CE2-CE2 3.31Å; Y233-F237 HydrophobicContact CE2-CZ 4.02Å; Y233-F237 AromaticContact CG-CD2 3.83Å; Y233-F237 HydrophobicContact CG-CD2 3.83Å; Y233-F237 HydrophobicContact CG-CE2 4.06Å; Y233-F237 AromaticContact CZ-CD2 3.77Å; Y233-F237 AromaticContact CZ-CE2 3.73Å; Y233-F237 WeakPolarHBondContact O-CB 3.33Å; Y233-F237 VanDerWaalsContact O-CD2 3.24Å; Y233-F237 WeakPolarHBondContact O-CD2 3.22Å; Y233-F237 PolarHBondContact O-N 2.8Å |
| 234 | R | 59.8 | Low | 50.1 | Low | 171 Ų | 171 | 139.8 Ų | 139.8 | 65% | 0.645 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -84 | -20.4 | 179.8 | -145 | -179.3 | -173.1 | -168.3 | 0.6 | 112.7 | T231 T232 | T231-R234 WeakPolarHBondContact O-CB 3.45Å; T231-R234 PolarHBondContact O-N 3.49Å; T231-R234 PolarHBondContact OG1-N 3.22Å; T232-R234 PolarHBondContact O-N 3.29Å; T232-R234 VanDerWaalsContact O-N 3.14Å |
| 235 | E | 59.2 | Low | 50 | Low | 105 Ų | 105 | 144.9 Ų | 144.9 | 49% | 0.491 | 71% | 0.713 | S | S | . | * | H | α-helix | trans | -87.3 | -42.6 | 174.6 | -72.6 | 173.6 | 178.1 | 0 | 0 | 110.8 | N230 T231 T232 F237 | N230-E235 PolarHBondContact ND2-OE1 2.82Å; T231-E235 PolarHBondContact O-N 2.85Å; T232-E235 PolarHBondContact O-N 2.97Å; E235-F237 VanDerWaalsContact C-N 3.34Å; E235-F237 PolarHBondContact O-N 2.71Å |
| 236 | D | 57.2 | Low | 49.8 | Very low | 114 Ų | 114 | 148 Ų | 148 | 61% | 0.61 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -70.5 | -27.8 | -179.1 | -63.8 | -26.9 | 0 | 0 | 0 | 113.1 | T232 | T232-D236 WeakPolarHBondContact O-CB 3.41Å; T232-D236 PolarHBondContact O-N 2.87Å |
| 237 | F | 53.9 | Low | 49.1 | Very low | 134 Ų | 134 | 142.8 Ų | 142.8 | 59% | 0.588 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.8 | 32.6 | -177.8 | -63.4 | -83.3 | 0 | 0 | 0 | 113.1 | Y233 E235 R239 | Y233-F237 AromaticContact CD1-CD2 3.88Å; Y233-F237 HydrophobicContact CD1-CD2 3.88Å; Y233-F237 HydrophobicContact CD1-CE2 4.42Å; Y233-F237 AromaticContact CD2-CD2 3.76Å; Y233-F237 HydrophobicContact CD2-CD2 3.76Å; Y233-F237 AromaticContact CD2-CE2 3.5Å; Y233-F237 HydrophobicContact CD2-CE2 3.5Å; Y233-F237 VanDerWaalsContact CD2-CE2 3.5Å; Y233-F237 AromaticContact CE1-CD2 3.84Å; Y233-F237 HydrophobicContact CE1-CD2 3.84Å; Y233-F237 HydrophobicContact CE1-CE2 4.27Å; Y233-F237 HydrophobicContact CE1-CG 4.35Å; Y233-F237 AromaticContact CE2-CD2 3.74Å; Y233-F237 HydrophobicContact CE2-CD2 3.74Å; Y233-F237 AromaticContact CE2-CE2 3.31Å; Y233-F237 HydrophobicContact CE2-CE2 3.31Å; Y233-F237 HydrophobicContact CE2-CZ 4.02Å; Y233-F237 AromaticContact CG-CD2 3.83Å; Y233-F237 HydrophobicContact CG-CD2 3.83Å; Y233-F237 HydrophobicContact CG-CE2 4.06Å; Y233-F237 AromaticContact CZ-CD2 3.77Å; Y233-F237 AromaticContact CZ-CE2 3.73Å; Y233-F237 WeakPolarHBondContact O-CB 3.33Å; Y233-F237 VanDerWaalsContact O-CD2 3.24Å; Y233-F237 WeakPolarHBondContact O-CD2 3.22Å; Y233-F237 PolarHBondContact O-N 2.8Å; E235-F237 VanDerWaalsContact C-N 3.34Å; E235-F237 PolarHBondContact O-N 2.71Å; F237-R239 PolarHBondContact O-N 3.23Å |
| 238 | Q | 60.9 | Low | 48.7 | Very low | 135 Ų | 135 | 141.5 Ų | 141.5 | 63% | 0.631 | 70% | 0.701 | S | S | * | * | trans | -58.9 | 134.7 | 169 | -78.9 | -175.2 | -1.1 | 0 | 0 | 110.4 | H240 | Q238-H240 PolarHBondContact O-N 3.09Š| ||
| 239 | R | 53.7 | Low | 47.7 | Very low | 251 Ų | 251 | 139.6 Ų | 139.6 | 95% | 0.947 | 70% | 0.696 | S | S | * | * | trans | -61 | 103.8 | 179.1 | -73.5 | -179.1 | 177.4 | 173.2 | -1.2 | 109.4 | F237 A241 | F237-R239 PolarHBondContact O-N 3.23Å; R239-A241 PolarHBondContact O-N 3.47Å | ||
| 240 | H | 45.4 | Very low | 47.2 | Very low | 170 Ų | 170 | 134.9 Ų | 134.9 | 79% | 0.787 | 69% | 0.687 | S | S | * | * | trans | -60.1 | 125.5 | 168.1 | -67.4 | -66 | 0 | 0 | 0 | 109 | Q238 L242 | Q238-H240 PolarHBondContact O-N 3.09Å; H240-L242 PolarHBondContact O-N 3.03Å | ||
| 241 | A | 46.6 | Very low | 46 | Very low | 79 Ų | 79 | 142.5 Ų | 142.5 | 65% | 0.653 | 71% | 0.709 | S | S | * | * | trans | -57.9 | 125 | 172.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | R239 T243 | R239-A241 PolarHBondContact O-N 3.47Å; A241-T243 PolarHBondContact O-N 3.35Å; A241-T243 PolarHBondContact O-OG1 3.1Å | ||
| 242 | L | 40.8 | Very low | 45 | Very low | 183 Ų | 183 | 146.5 Ų | 146.5 | 96% | 0.958 | 72% | 0.719 | S | S | * | * | trans | -66.6 | 80.9 | 178.9 | -77.4 | 161.3 | 0 | 0 | 0 | 110 | H240 | H240-L242 PolarHBondContact O-N 3.03Š| ||
| 243 | T | 39.4 | Very low | 43.9 | Very low | 117 Ų | 117 | 149.2 Ų | 149.2 | 72% | 0.718 | 73% | 0.728 | S | S | * | * | trans | -97.7 | 106.3 | 169.3 | 43.4 | 0 | 0 | 0 | 0 | 109.3 | A241 | A241-T243 PolarHBondContact O-N 3.35Å; A241-T243 PolarHBondContact O-OG1 3.1Å | ||
| 244 | S | 37 | Very low | 43.2 | Very low | 115 Ų | 115 | 145.6 Ų | 145.6 | 80% | 0.804 | 73% | 0.731 | S | S | * | * | S | Bend | trans | 78 | 137.3 | 167.7 | 78.7 | 0 | 0 | 0 | 0 | 117.9 | E246 | S244-E246 PolarHBondContact O-N 3.17Š|
| 245 | K | 37.8 | Very low | 41.9 | Very low | 198 Ų | 198 | 142.6 Ų | 142.6 | 86% | 0.861 | 73% | 0.734 | S | S | * | * | trans | -68.9 | 107.2 | -170.2 | -63.3 | 163.8 | 176.2 | 174.7 | 0 | 111.6 | ||||
| 246 | E | 35.4 | Very low | 40.6 | Very low | 184 Ų | 184 | 142.5 Ų | 142.5 | 86% | 0.86 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 123.3 | 161.1 | -80.6 | -172.2 | 152.3 | 0 | 0 | 110.1 | S244 | S244-E246 PolarHBondContact O-N 3.17Š|
| 247 | P | 36.3 | Very low | 39.3 | Very low | 81 Ų | 81 | 144 Ų | 144 | 53% | 0.526 | 76% | 0.757 | S | S | . | * | P | Polyproline II helix | trans | -78.3 | 127.7 | 174.3 | 30.9 | -32.4 | 0 | 0 | 0 | 111.1 | W178 | W178-P247 HydrophobicContact CH2-CB 3.41Å; W178-P247 VanDerWaalsContact CH2-CB 3.41Å; W178-P247 HydrophobicContact CH2-CG 3.52Å; W178-P247 HydrophobicContact CZ2-CB 3.86Å; W178-P247 HydrophobicContact CZ2-CG 3.54Å; W178-P247 HydrophobicContact CZ3-CB 4.13Å |
| 248 | V | 38.2 | Very low | 38.3 | Very low | 125 Ų | 125 | 146.9 Ų | 146.9 | 76% | 0.758 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -79 | 125.3 | 165 | -179.2 | 0 | 0 | 0 | 0 | 108.6 | C250 | V248-C250 PolarHBondContact O-N 3Š|
| 249 | M | 31.9 | Very low | 36.7 | Very low | 148 Ų | 148 | 148.9 Ų | 148.9 | 73% | 0.729 | 78% | 0.784 | S | S | * | * | trans | -70.9 | 110.6 | 173.9 | -77.5 | -81.6 | -71.4 | 0 | 0 | 110.5 | Y172 | Y172-M249 WeakPolarHBondContact OH-CE 3.16Å; Y172-M249 PolarHBondContact OH-SD 2.92Å | ||
| 250 | C | 39.8 | Very low | 35.7 | Very low | 96 Ų | 96 | 141.5 Ų | 141.5 | 65% | 0.649 | 77% | 0.771 | S | S | * | * | trans | -114.4 | 133.6 | 177.2 | -58 | 0 | 0 | 0 | 0 | 111.1 | V248 K252 | V248-C250 PolarHBondContact O-N 3Å; C250-K252 PolarHBondContact O-N 2.88Å | ||
| 251 | R | 29.8 | Very low | 35 | Very low | 243 Ų | 243 | 143.1 Ų | 143.1 | 92% | 0.917 | 78% | 0.776 | S | S | * | * | trans | -61.8 | 131.3 | 171 | -88.1 | -179.8 | 168.8 | 175.2 | -4.2 | 110.4 | I253 | R251-I253 PolarHBondContact O-N 3.44Š| ||
| 252 | K | 37.5 | Very low | 34.3 | Very low | 166 Ų | 166 | 145 Ų | 145 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | trans | -78.4 | 113.7 | 172.8 | -143.1 | 176.9 | -172.3 | 178 | 0 | 109.4 | C250 A254 | C250-K252 PolarHBondContact O-N 2.88Å; K252-A254 PolarHBondContact O-N 3.48Å | ||
| 253 | I | 34.4 | Very low | 33.8 | Very low | 161 Ų | 161 | 143.2 Ų | 143.2 | 83% | 0.826 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -66 | 121.3 | 163.7 | -61.7 | 171.4 | 0 | 0 | 0 | 106.3 | R251 | R251-I253 PolarHBondContact O-N 3.44Š|
| 254 | A | 32.7 | Very low | 33.5 | Very low | 82 Ų | 82 | 144.3 Ų | 144.3 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 137.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | K252 A256 | K252-A254 PolarHBondContact O-N 3.48Å; A254-A256 PolarHBondContact O-N 3.13Å |
| 255 | P | 32.9 | Very low | 33.3 | Very low | 108 Ų | 108 | 143 Ų | 143 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 139.9 | 171.5 | 27.8 | -30.6 | 0 | 0 | 0 | 108.5 | I257 | P255-I257 PolarHBondContact O-N 3.43Š|
| 256 | A | 30.9 | Very low | 33.1 | Very low | 103 Ų | 103 | 139.6 Ų | 139.6 | 85% | 0.851 | 75% | 0.746 | S | S | * | * | trans | -59.7 | 98.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | A254 K258 | A254-A256 PolarHBondContact O-N 3.13Å; A256-K258 PolarHBondContact O-N 3.26Å | ||
| 257 | I | 30.2 | Very low | 33 | Very low | 144 Ų | 144 | 140.3 Ų | 140.3 | 74% | 0.738 | 74% | 0.742 | S | S | * | * | trans | -67.7 | 105.5 | 174 | -59.9 | 174.2 | 0 | 0 | 0 | 105.9 | P255 L259 | P255-I257 PolarHBondContact O-N 3.43Å; I257-L259 PolarHBondContact O-N 3.16Å; I257-L259 VanDerWaalsContact O-N 3.11Å | ||
| 258 | K | 32.4 | Very low | 32.9 | Very low | 195 Ų | 195 | 145 Ų | 145 | 85% | 0.848 | 75% | 0.751 | S | S | * | * | trans | -50 | 119.8 | 161 | -78.3 | -179.6 | 175.9 | 178.5 | 0 | 106.6 | A256 S260 | A256-K258 PolarHBondContact O-N 3.26Å; K258-S260 PolarHBondContact O-N 2.79Å | ||
| 259 | L | 28.3 | Very low | 32.9 | Very low | 178 Ų | 178 | 142.3 Ų | 142.3 | 93% | 0.932 | 73% | 0.731 | S | S | * | * | trans | -53.9 | 86.2 | 174.1 | -76.4 | 155.4 | 0 | 0 | 0 | 109.7 | I257 | I257-L259 PolarHBondContact O-N 3.16Å; I257-L259 VanDerWaalsContact O-N 3.11Å | ||
| 260 | S | 32 | Very low | 33.2 | Very low | 96 Ų | 96 | 143.8 Ų | 143.8 | 67% | 0.671 | 73% | 0.729 | S | S | * | * | trans | -76.8 | 120.6 | 159.5 | 48.5 | 0 | 0 | 0 | 0 | 106.2 | K258 T262 | K258-S260 PolarHBondContact O-N 2.79Å; S260-T262 PolarHBondContact O-N 3.5Å | ||
| 261 | K | 30.9 | Very low | 33 | Very low | 204 Ų | 204 | 147.5 Ų | 147.5 | 89% | 0.887 | 73% | 0.73 | S | S | * | * | trans | -45.5 | 108.4 | 175.3 | -71.5 | 173.4 | 175.4 | 177.4 | 0 | 109 | N263 | K261-N263 PolarHBondContact O-N 3.42Š| ||
| 262 | T | 31.9 | Very low | 33.5 | Very low | 119 Ų | 119 | 144.3 Ų | 144.3 | 73% | 0.73 | 72% | 0.718 | S | S | * | * | trans | -66.8 | 115.3 | 168.4 | 36.3 | 0 | 0 | 0 | 0 | 107.2 | S260 L264 | S260-T262 PolarHBondContact O-N 3.5Å; T262-L264 PolarHBondContact O-N 2.9Å | ||
| 263 | N | 29.4 | Very low | 33.7 | Very low | 145 Ų | 145 | 142.1 Ų | 142.1 | 78% | 0.775 | 71% | 0.71 | S | S | * | * | trans | -62.6 | 78.6 | 164.3 | -95.5 | -17.5 | 0 | 0 | 0 | 108.4 | K261 N265 | K261-N263 PolarHBondContact O-N 3.42Å; N263-N265 PolarHBondContact O-N 3.18Å | ||
| 264 | L | 33.1 | Very low | 34.1 | Very low | 140 Ų | 140 | 138.9 Ų | 138.9 | 73% | 0.733 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | 87 | 150.8 | -88 | 156.2 | 0 | 0 | 0 | 105.8 | T262 | T262-L264 PolarHBondContact O-N 2.9Š|
| 265 | N | 33 | Very low | 34.7 | Very low | 86 Ų | 86 | 141.6 Ų | 141.6 | 46% | 0.46 | 70% | 0.696 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -163.8 | -19.4 | 161.1 | -98.5 | -18.2 | 0 | 0 | 0 | 118.2 | N263 Y267 I269 | N263-N265 PolarHBondContact O-N 3.18Å; N265-Y267 PolarHBondContact O-N 3.29Å; N265-I269 HydrophobicContact CB-CD1 3.57Å; N265-I269 HydrophobicContact CB-CG1 4.14Å; N265-I269 VanDerWaalsContact O-CB 3.23Å; N265-I269 WeakPolarHBondContact O-CB 3.42Å; N265-I269 WeakPolarHBondContact O-CG1 3.35Å; N265-I269 PolarHBondContact O-N 3.24Å; N265-I269 VanDerWaalsContact O-N 3.13Å |
| 266 | D | 33.4 | Very low | 35.2 | Very low | 127 Ų | 127 | 145 Ų | 145 | 68% | 0.679 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -80.8 | -23.8 | -169.9 | -69.3 | -10.1 | 0 | 0 | 0 | 115.7 | ||
| 267 | Y | 33.6 | Very low | 35.5 | Very low | 199 Ų | 199 | 148 Ų | 148 | 78% | 0.78 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -95.1 | -25.4 | 176.3 | -111.6 | -93 | 0 | 0 | 0 | 113.8 | N265 | N265-Y267 PolarHBondContact O-N 3.29Å |
| 268 | Y | 34.2 | Very low | 35.7 | Very low | 181 Ų | 181 | 148.8 Ų | 148.8 | 71% | 0.71 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -87.9 | -27.1 | -180 | -110.8 | -91 | 0 | 0 | 0 | 113 | ||
| 269 | I | 37.5 | Very low | 35.7 | Very low | 67 Ų | 67 | 148 Ų | 148 | 34% | 0.344 | 70% | 0.7 | S | S | . | * | H | α-helix | trans | -75.2 | -39.3 | 173 | -66.5 | -179.7 | 0 | 0 | 0 | 110.5 | N265 W271 R272 E273 | N265-I269 HydrophobicContact CB-CD1 3.57Å; N265-I269 HydrophobicContact CB-CG1 4.14Å; N265-I269 VanDerWaalsContact O-CB 3.23Å; N265-I269 WeakPolarHBondContact O-CB 3.42Å; N265-I269 WeakPolarHBondContact O-CG1 3.35Å; N265-I269 PolarHBondContact O-N 3.24Å; N265-I269 VanDerWaalsContact O-N 3.13Å; I269-W271 VanDerWaalsContact C-N 3.32Å; I269-W271 PolarHBondContact O-N 3.15Å; I269-R272 PolarHBondContact O-N 3.3Å; I269-E273 HydrophobicContact CG2-CG 4.19Å; I269-E273 WeakPolarHBondContact O-CG 3.48Å; I269-E273 PolarHBondContact O-N 2.79Å |
| 270 | R | 38.8 | Very low | 35.9 | Very low | 180 Ų | 180 | 143.9 Ų | 143.9 | 68% | 0.679 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -60.9 | -38.2 | 178.6 | -129 | 175.8 | -160.6 | -179.5 | 5.9 | 113.2 | E273 T274 | R270-E273 PolarHBondContact O-N 3.11Å; R270-T274 WeakPolarHBondContact O-CG2 3.47Å; R270-T274 PolarHBondContact O-N 3.05Å; R270-T274 PolarHBondContact O-OG1 2.94Å |
| 271 | W | 36.6 | Very low | 35.6 | Very low | 174 Ų | 174 | 145.9 Ų | 145.9 | 66% | 0.659 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -68.6 | -37.4 | 177 | -118.5 | 83.9 | 0 | 0 | 0 | 112.8 | I269 T274 E275 | I269-W271 VanDerWaalsContact C-N 3.32Å; I269-W271 PolarHBondContact O-N 3.15Å; W271-T274 WeakPolarHBondContact CA-OG1 3.43Å; W271-T274 PolarHBondContact O-OG1 3.31Å; W271-E275 PolarHBondContact O-N 3.46Å |
| 272 | R | 40.6 | Very low | 35.4 | Very low | 176 Ų | 176 | 141.2 Ų | 141.2 | 66% | 0.664 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -75.7 | -26.3 | 174.9 | -79.1 | -158.8 | -158.9 | -168.5 | 7.3 | 114 | I269 K276 | I269-R272 PolarHBondContact O-N 3.3Å; R272-K276 WeakPolarHBondContact O-CG 3.37Å |
| 273 | E | 40.4 | Very low | 35.1 | Very low | 120 Ų | 120 | 143.2 Ų | 143.2 | 56% | 0.561 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -79.2 | -33.3 | 175.4 | -75 | 177 | 166.4 | 0 | 0 | 111.7 | I269 R270 K276 | I269-E273 HydrophobicContact CG2-CG 4.19Å; I269-E273 WeakPolarHBondContact O-CG 3.48Å; I269-E273 PolarHBondContact O-N 2.79Å; R270-E273 PolarHBondContact O-N 3.11Å; E273-K276 PolarHBondContact O-N 2.95Å |
| 274 | T | 43.8 | Very low | 35.2 | Very low | 93 Ų | 93 | 142.8 Ų | 142.8 | 57% | 0.571 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -70.8 | -31.1 | 174.9 | 46.7 | 0 | 0 | 0 | 0 | 113.7 | R270 W271 | R270-T274 WeakPolarHBondContact O-CG2 3.47Å; R270-T274 PolarHBondContact O-N 3.05Å; R270-T274 PolarHBondContact O-OG1 2.94Å; W271-T274 WeakPolarHBondContact CA-OG1 3.43Å; W271-T274 PolarHBondContact O-OG1 3.31Å |
| 275 | E | 43.7 | Very low | 34.8 | Very low | 138 Ų | 138 | 143.1 Ų | 143.1 | 65% | 0.645 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -78 | -18.1 | 176.5 | -79.6 | -173.5 | 149.9 | 0 | 0 | 113.9 | W271 | W271-E275 PolarHBondContact O-N 3.46Å |
| 276 | K | 43.4 | Very low | 34.7 | Very low | 181 Ų | 181 | 148.1 Ų | 148.1 | 79% | 0.787 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -90.3 | -11.7 | -179.2 | -78.2 | -175.6 | 176.1 | -173.9 | 0 | 114.9 | R272 E273 | R272-K276 WeakPolarHBondContact O-CG 3.37Å; E273-K276 PolarHBondContact O-N 2.95Å |
| 277 | Q | 38.8 | Very low | 34.4 | Very low | 165 Ų | 165 | 146.5 Ų | 146.5 | 77% | 0.771 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -111.4 | -9.4 | -171.4 | -76 | -168.7 | -8.5 | 0 | 0 | 115.7 | ||
| 278 | K | 34 | Very low | 34.2 | Very low | 160 Ų | 160 | 143.5 Ų | 143.5 | 70% | 0.696 | 70% | 0.702 | S | S | * | * | trans | -139.3 | 89.2 | -176.2 | -72 | -172.4 | -179.9 | 177.8 | 0 | 112.4 | V280 | K278-V280 HydrophobicContact CB-CB 4.15Å; K278-V280 HydrophobicContact CB-CG2 3.9Å; K278-V280 HydrophobicContact CD-CG2 4.41Å; K278-V280 HydrophobicContact CG-CG2 4.18Å; K278-V280 PolarHBondContact O-N 3.48Å | ||
| 279 | N | 31.7 | Very low | 33.8 | Very low | 180 Ų | 180 | 143.6 Ų | 143.6 | 96% | 0.963 | 71% | 0.706 | S | S | * | * | trans | -52.1 | 71.4 | 138.3 | -77.1 | -22.7 | 0 | 0 | 0 | 109.3 | ||||
| 280 | V | 32.2 | Very low | 33.7 | Very low | 90 Ų | 90 | 145.7 Ų | 145.7 | 55% | 0.545 | 72% | 0.724 | S | S | . | * | trans | -142.6 | 103 | 174.4 | -176.4 | 0 | 0 | 0 | 0 | 107.3 | K278 C282 | K278-V280 HydrophobicContact CB-CB 4.15Å; K278-V280 HydrophobicContact CB-CG2 3.9Å; K278-V280 HydrophobicContact CD-CG2 4.41Å; K278-V280 HydrophobicContact CG-CG2 4.18Å; K278-V280 PolarHBondContact O-N 3.48Å; V280-C282 PolarHBondContact O-N 3.33Å; V280-C282 VanDerWaalsContact O-N 3.11Å | ||
| 281 | T | 26.2 | Very low | 33.3 | Very low | 139 Ų | 139 | 143.4 Ų | 143.4 | 85% | 0.853 | 72% | 0.724 | S | S | * | * | trans | -33.1 | 105.4 | 162.9 | 34 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 282 | C | 27.5 | Very low | 32.9 | Very low | 105 Ų | 105 | 141 Ų | 141 | 71% | 0.709 | 72% | 0.724 | S | S | * | * | trans | -130.5 | 100.5 | 159.1 | -76.7 | 0 | 0 | 0 | 0 | 107.8 | V280 L284 | V280-C282 PolarHBondContact O-N 3.33Å; V280-C282 VanDerWaalsContact O-N 3.11Å; C282-L284 PolarHBondContact O-N 3.19Å | ||
| 283 | N | 26.1 | Very low | 32.3 | Very low | 162 Ų | 162 | 139 Ų | 139 | 87% | 0.866 | 73% | 0.725 | S | S | * | * | trans | -60.5 | 101.9 | 163.3 | -78.4 | -25 | 0 | 0 | 0 | 108.5 | ||||
| 284 | L | 30 | Very low | 31.7 | Very low | 135 Ų | 135 | 140.8 Ų | 140.8 | 71% | 0.707 | 73% | 0.731 | S | S | * | * | trans | -124.3 | 101 | 163 | -98.6 | 153.9 | 0 | 0 | 0 | 107.2 | C282 F286 | C282-L284 PolarHBondContact O-N 3.19Å; L284-F286 VanDerWaalsContact C-N 3.34Å; L284-F286 PolarHBondContact O-N 3.34Å | ||
| 285 | N | 26 | Very low | 30.9 | Very low | 148 Ų | 148 | 147 Ų | 147 | 79% | 0.791 | 75% | 0.745 | S | S | * | * | trans | -60.4 | 92 | 173 | -68.7 | -21.6 | 0 | 0 | 0 | 109.6 | ||||
| 286 | F | 29.6 | Very low | 30.1 | Very low | 191 Ų | 191 | 146 Ų | 146 | 84% | 0.838 | 75% | 0.749 | S | S | * | * | trans | -98.4 | 66.5 | 158.1 | -85.2 | -83.1 | 0 | 0 | 0 | 108.5 | L284 | L284-F286 VanDerWaalsContact C-N 3.34Å; L284-F286 PolarHBondContact O-N 3.34Å | ||
| 287 | S | 27.9 | Very low | 29.5 | Very low | 93 Ų | 93 | 141 Ų | 141 | 65% | 0.65 | 74% | 0.737 | S | S | * | * | trans | -91.2 | 96.2 | 166.5 | 53.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 288 | N | 28.6 | Very low | 29.2 | Very low | 136 Ų | 136 | 141.1 Ų | 141.1 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | S | Bend | trans | 159.3 | 94.1 | 149.7 | -81.5 | -16.8 | 0 | 0 | 0 | 108.6 | ||
| 289 | F | 27.2 | Very low | 29.3 | Very low | 183 Ų | 183 | 142.4 Ų | 142.4 | 80% | 0.803 | 75% | 0.747 | S | S | * | * | trans | 144.3 | 92.9 | 154.2 | -86.1 | -70.7 | 0 | 0 | 0 | 108.9 | I291 | F289-I291 VanDerWaalsContact C-N 3.26Å; F289-I291 PolarHBondContact O-N 2.99Å | ||
| 290 | P | 34.1 | Very low | 29.6 | Very low | 111 Ų | 111 | 139.9 Ų | 139.9 | 72% | 0.721 | 73% | 0.729 | S | S | * | * | trans | -68.3 | 98.4 | 154.5 | 29.2 | -26.2 | 0 | 0 | 0 | 106.1 | N292 | P290-N292 PolarHBondContact O-N 3.05Š| ||
| 291 | I | 31.6 | Very low | 29.6 | Very low | 132 Ų | 132 | 146.4 Ų | 146.4 | 68% | 0.677 | 74% | 0.743 | S | S | * | * | trans | -60.3 | 91.9 | 160.8 | -67.6 | 172.4 | 0 | 0 | 0 | 105.5 | F289 I293 | F289-I291 VanDerWaalsContact C-N 3.26Å; F289-I291 PolarHBondContact O-N 2.99Å; I291-I293 HydrophobicContact CG2-CB 4.38Å; I291-I293 HydrophobicContact CG2-CD1 3.34Å; I291-I293 HydrophobicContact CG2-CG1 3.43Å; I291-I293 VanDerWaalsContact CG2-CG1 3.43Å; I291-I293 PolarHBondContact O-N 2.95Å | ||
| 292 | N | 27.7 | Very low | 30.1 | Very low | 123 Ų | 123 | 147.3 Ų | 147.3 | 66% | 0.658 | 74% | 0.738 | S | S | * | * | trans | -74.9 | 70.5 | 171.8 | -125.6 | -28.2 | 0 | 0 | 0 | 107 | P290 K294 | P290-N292 PolarHBondContact O-N 3.05Å; N292-K294 PolarHBondContact O-N 3.08Å | ||
| 293 | I | 27.7 | Very low | 30.6 | Very low | 133 Ų | 133 | 145.7 Ų | 145.7 | 68% | 0.682 | 72% | 0.722 | S | S | * | * | trans | -71.4 | 72.3 | 156.3 | -66.5 | 155.9 | 0 | 0 | 0 | 105.5 | I291 Y295 | I291-I293 HydrophobicContact CG2-CB 4.38Å; I291-I293 HydrophobicContact CG2-CD1 3.34Å; I291-I293 HydrophobicContact CG2-CG1 3.43Å; I291-I293 VanDerWaalsContact CG2-CG1 3.43Å; I291-I293 PolarHBondContact O-N 2.95Å; I293-Y295 PolarHBondContact O-N 3.13Å | ||
| 294 | K | 28.7 | Very low | 31.2 | Very low | 158 Ų | 158 | 142.6 Ų | 142.6 | 69% | 0.687 | 71% | 0.713 | S | S | * | * | trans | -81.2 | 96.7 | 158.5 | -93.9 | -177.6 | 177.9 | 176.5 | 0 | 106.2 | N292 T296 | N292-K294 PolarHBondContact O-N 3.08Å; K294-T296 VanDerWaalsContact C-N 3.34Å; K294-T296 PolarHBondContact O-N 3.25Å | ||
| 295 | Y | 26.1 | Very low | 31.6 | Very low | 224 Ų | 224 | 143.1 Ų | 143.1 | 88% | 0.878 | 72% | 0.716 | S | S | * | * | trans | -1.3 | 82.5 | 146.5 | -74.7 | -97.7 | 0 | 0 | 0 | 113.8 | I293 | I293-Y295 PolarHBondContact O-N 3.13Š| ||
| 296 | T | 27.8 | Very low | 32.4 | Very low | 117 Ų | 117 | 144.5 Ų | 144.5 | 72% | 0.718 | 71% | 0.71 | S | S | * | * | trans | -111.1 | 131.9 | 157.3 | 51.3 | 0 | 0 | 0 | 0 | 107.2 | K294 | K294-T296 VanDerWaalsContact C-N 3.34Å; K294-T296 PolarHBondContact O-N 3.25Å | ||
| 297 | S | 30.8 | Very low | 33 | Very low | 76 Ų | 76 | 142.5 Ų | 142.5 | 53% | 0.531 | 71% | 0.708 | S | S | . | * | trans | -53.3 | 155.1 | -159.1 | 73.9 | 0 | 0 | 0 | 0 | 114.5 | K299 | S297-K299 PolarHBondContact O-N 3.46Š| ||
| 298 | I | 30.9 | Very low | 33.5 | Very low | 168 Ų | 168 | 140.7 Ų | 140.7 | 86% | 0.862 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.1 | 10.8 | 179.4 | -68.6 | 155.7 | 0 | 0 | 0 | 115 | ||
| 299 | K | 36.7 | Very low | 34.2 | Very low | 187 Ų | 187 | 137.6 Ų | 137.6 | 81% | 0.813 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | -7.8 | -177.4 | -66.7 | -172.7 | 176.4 | -176.8 | 0 | 115.9 | S297 R301 | S297-K299 PolarHBondContact O-N 3.46Å; K299-R301 PolarHBondContact O-N 3Å |
| 300 | H | 38.2 | Very low | 34.7 | Very low | 127 Ų | 127 | 133.7 Ų | 133.7 | 59% | 0.588 | 69% | 0.689 | S | S | * | * | trans | -90.2 | 10.6 | -175.5 | -73.3 | -73.7 | 0 | 0 | 0 | 116.1 | H302 | H300-H302 VanDerWaalsContact C-N 3.26Å; H300-H302 PolarHBondContact O-N 2.77Å | ||
| 301 | R | 33.1 | Very low | 34.7 | Very low | 226 Ų | 226 | 131.3 Ų | 131.3 | 85% | 0.853 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | 4.7 | -175.4 | -93.6 | -176.5 | 179.1 | 171.6 | 0.2 | 116.5 | K299 | K299-R301 PolarHBondContact O-N 3Š|
| 302 | H | 36.6 | Very low | 35.1 | Very low | 158 Ų | 158 | 129.2 Ų | 129.2 | 73% | 0.731 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121 | 16.2 | -175.3 | -83.4 | -71.1 | 0 | 0 | 0 | 115.7 | H300 | H300-H302 VanDerWaalsContact C-N 3.26Å; H300-H302 PolarHBondContact O-N 2.77Å |
| 303 | L | 38.2 | Very low | 35.6 | Very low | 72 Ų | 72 | 128.7 Ų | 128.7 | 38% | 0.377 | 68% | 0.675 | S | S | . | * | trans | -101.5 | 0.5 | -171.6 | -69.1 | 170.7 | 0 | 0 | 0 | 115.7 | D305 R306 | L303-D305 PolarHBondContact O-N 2.94Å; L303-R306 HydrophobicContact CD2-CG 4.46Å; L303-R306 PolarHBondContact O-N 3.19Å | ||
| 304 | S | 37.6 | Very low | 36.5 | Very low | 97 Ų | 97 | 124.2 Ų | 124.2 | 68% | 0.678 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | -19.6 | 173.5 | 48 | 0 | 0 | 0 | 0 | 113.5 | ||
| 305 | D | 39.2 | Very low | 37.2 | Very low | 145 Ų | 145 | 122 Ų | 122 | 78% | 0.775 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | 5.1 | -179.2 | -63.2 | -16.3 | 0 | 0 | 0 | 113.4 | L303 | L303-D305 PolarHBondContact O-N 2.94Š|
| 306 | R | 41.5 | Very low | 38.1 | Very low | 178 Ų | 178 | 113.1 Ų | 113.1 | 67% | 0.672 | 64% | 0.635 | S | S | * | * | trans | -119.7 | 26.2 | -173.4 | -62.8 | -163.5 | -177 | -172.4 | 0.7 | 114.6 | L303 | L303-R306 HydrophobicContact CD2-CG 4.46Å; L303-R306 PolarHBondContact O-N 3.19Å | ||
| 307 | L | 43.5 | Very low | 38.9 | Very low | 149 Ų | 149 | 108.8 Ų | 108.8 | 78% | 0.78 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 130.1 | 167 | -69 | 172.6 | 0 | 0 | 0 | 109 | A309 | L307-A309 PolarHBondContact O-N 3.11Š|
| 308 | P | 38 | Very low | 39.6 | Very low | 55 Ų | 55 | 109 Ų | 109 | 36% | 0.357 | 61% | 0.613 | S | S | . | * | P | Polyproline II helix | trans | -57 | 139.7 | 173.9 | 21.2 | -29.5 | 0 | 0 | 0 | 109.5 | A310 I312 | P308-A310 PolarHBondContact O-N 2.83Å; P308-I312 HydrophobicContact CB-CB 4.24Å; P308-I312 HydrophobicContact CB-CD1 3.59Å; P308-I312 HydrophobicContact CB-CG1 4.41Å |
| 309 | A | 42.3 | Very low | 40.5 | Very low | 71 Ų | 71 | 103.6 Ų | 103.6 | 59% | 0.587 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 141.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | L307 G311 I312 | L307-A309 PolarHBondContact O-N 3.11Å; A309-G311 PolarHBondContact O-N 3.1Å; A309-G311 VanDerWaalsContact O-N 3.16Å; A309-I312 PolarHBondContact O-N 3Å |
| 310 | A | 38 | Very low | 41 | Very low | 101 Ų | 101 | 103.3 Ų | 103.3 | 84% | 0.835 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.8 | 124.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | P308 | P308-A310 PolarHBondContact O-N 2.83Š|
| 311 | G | 34.2 | Very low | 41.3 | Very low | 60 Ų | 60 | 101.4 Ų | 101.4 | 62% | 0.619 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 116.2 | -7.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | A309 | A309-G311 PolarHBondContact O-N 3.1Å; A309-G311 VanDerWaalsContact O-N 3.16Å |
| 312 | I | 40 | Very low | 41.8 | Very low | 89 Ų | 89 | 99.7 Ų | 99.7 | 46% | 0.456 | 58% | 0.579 | S | S | . | * | trans | -73.4 | 129.1 | 174.5 | -66.1 | 169.1 | 0 | 0 | 0 | 110 | P308 A309 T314 | P308-I312 HydrophobicContact CB-CB 4.24Å; P308-I312 HydrophobicContact CB-CD1 3.59Å; P308-I312 HydrophobicContact CB-CG1 4.41Å; A309-I312 PolarHBondContact O-N 3Å; I312-T314 PolarHBondContact O-N 3.3Å | ||
| 313 | T | 38.4 | Very low | 41.9 | Very low | 112 Ų | 112 | 98.4 Ų | 98.4 | 69% | 0.687 | 58% | 0.578 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -68.9 | 114.1 | 175.9 | 46.9 | 0 | 0 | 0 | 0 | 110.1 | ||
| 314 | T | 47.7 | Very low | 41.9 | Very low | 39 Ų | 39 | 98.4 Ų | 98.4 | 24% | 0.239 | 58% | 0.576 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.8 | 168.7 | 168.2 | 63.1 | 0 | 0 | 0 | 0 | 109.8 | I312 G316 G317 I319 | I312-T314 PolarHBondContact O-N 3.3Å; T314-G316 PolarHBondContact O-N 3.5Å; T314-G317 PolarHBondContact N-O 3.36Å; T314-G317 PolarHBondContact O-N 3.49Å; T314-G317 PolarHBondContact OG1-O 3.01Å; T314-I319 HydrophobicContact CG2-CD1 4.49Å |
| 315 | S | 42 | Very low | 42 | Very low | 110 Ų | 110 | 100.5 Ų | 100.5 | 77% | 0.769 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.6 | -22.2 | 174 | 50.2 | 0 | 0 | 0 | 0 | 113.2 | ||
| 316 | G | 45.2 | Very low | 41.9 | Very low | 39 Ų | 39 | 99 Ų | 99 | 40% | 0.402 | 57% | 0.569 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.4 | 9.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 116 | T314 | T314-G316 PolarHBondContact O-N 3.5Š|
| 317 | G | 45.4 | Very low | 41.6 | Very low | 25 Ų | 25 | 95.5 Ų | 95.5 | 26% | 0.258 | 57% | 0.572 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | 88.7 | -170.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | T314 | T314-G317 PolarHBondContact N-O 3.36Å; T314-G317 PolarHBondContact O-N 3.49Å; T314-G317 PolarHBondContact OG1-O 3.01Å |
| 318 | P | 46 | Very low | 41.2 | Very low | 81 Ų | 81 | 94.5 Ų | 94.5 | 53% | 0.526 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -68.6 | 136.8 | -179.3 | 27.1 | -32.7 | 0 | 0 | 0 | 111.1 | K320 | P318-K320 PolarHBondContact O-N 3.43Å |
| 319 | I | 48.6 | Very low | 41.2 | Very low | 55 Ų | 55 | 97 Ų | 97 | 28% | 0.282 | 57% | 0.572 | S | S | . | * | trans | -62.4 | 115 | 175.1 | -61.3 | 171.5 | 0 | 0 | 0 | 108.5 | T314 N321 Q324 | T314-I319 HydrophobicContact CG2-CD1 4.49Å; I319-N321 VanDerWaalsContact CG2-O 3.22Å; I319-N321 WeakPolarHBondContact CG2-O 3.17Å; I319-Q324 HydrophobicContact CG2-CB 4.43Å | ||
| 320 | K | 47.6 | Very low | 41 | Very low | 181 Ų | 181 | 99.3 Ų | 99.3 | 79% | 0.787 | 57% | 0.566 | S | S | * | * | trans | -90.3 | -13 | -178.9 | -65.4 | -176.2 | -180 | 177.9 | 0 | 113.1 | P318 | P318-K320 PolarHBondContact O-N 3.43Š| ||
| 321 | N | 45.4 | Very low | 41.2 | Very low | 87 Ų | 87 | 101.6 Ų | 101.6 | 47% | 0.465 | 56% | 0.56 | S | S | . | * | S | Bend | trans | -157.5 | 144.3 | -177.6 | -171.7 | -11 | 0 | 0 | 0 | 110.6 | I319 N323 Q324 | I319-N321 VanDerWaalsContact CG2-O 3.22Å; I319-N321 WeakPolarHBondContact CG2-O 3.17Å; N321-N323 PolarHBondContact O-N 3.39Å; N321-N323 VanDerWaalsContact O-N 3.1Å; N321-N323 PolarHBondContact OD1-N 2.91Å; N321-Q324 HydrophobicContact CB-CG 4.27Å; N321-Q324 WeakPolarHBondContact O-CB 3.23Å; N321-Q324 PolarHBondContact O-N 2.7Å |
| 322 | Q | 41.8 | Very low | 41.3 | Very low | 189 Ų | 189 | 105.3 Ų | 105.3 | 88% | 0.883 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.6 | -20.9 | 175.9 | -72.7 | 179.7 | -11 | 0 | 0 | 113.6 | ||
| 323 | N | 39.3 | Very low | 41.5 | Very low | 132 Ų | 132 | 103.2 Ų | 103.2 | 71% | 0.706 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | -0.5 | 178.1 | -64.7 | -9.3 | 0 | 0 | 0 | 114.1 | N321 T325 | N321-N323 PolarHBondContact O-N 3.39Å; N321-N323 VanDerWaalsContact O-N 3.1Å; N321-N323 PolarHBondContact OD1-N 2.91Å; N323-T325 PolarHBondContact O-N 3.14Å |
| 324 | Q | 39.1 | Very low | 41.4 | Very low | 72 Ų | 72 | 102.3 Ų | 102.3 | 34% | 0.336 | 55% | 0.551 | S | S | . | * | trans | -81.8 | 105.6 | 176.1 | -71.9 | 179.9 | -18.6 | 0 | 0 | 110.2 | I319 N321 | I319-Q324 HydrophobicContact CG2-CB 4.43Å; N321-Q324 HydrophobicContact CB-CG 4.27Å; N321-Q324 WeakPolarHBondContact O-CB 3.23Å; N321-Q324 PolarHBondContact O-N 2.7Å | ||
| 325 | T | 38.6 | Very low | 41.3 | Very low | 141 Ų | 141 | 106.2 Ų | 106.2 | 87% | 0.865 | 57% | 0.57 | S | S | * | * | trans | -95.4 | 107.8 | 168.4 | 27.6 | 0 | 0 | 0 | 0 | 108.4 | N323 | N323-T325 PolarHBondContact O-N 3.14Š| ||
| 326 | Y | 36.7 | Very low | 41.5 | Very low | 114 Ų | 114 | 102.4 Ų | 102.4 | 45% | 0.447 | 54% | 0.541 | S | S | . | . | trans | -92 | 145.3 | 163.3 | -74.8 | -73.6 | 0 | 0 | 0 | 109.5 | F328 | Y326-F328 PolarHBondContact O-N 3.46Š| ||
| 327 | S | 36 | Very low | 41.4 | Very low | 104 Ų | 104 | 105.6 Ų | 105.6 | 73% | 0.727 | 55% | 0.548 | S | S | * | . | trans | -52.8 | 110.2 | 163 | -39.3 | 0 | 0 | 0 | 0 | 107.8 | D329 | S327-D329 PolarHBondContact O-N 3.09Å; S327-D329 VanDerWaalsContact O-N 3.15Å | ||
| 328 | F | 35 | Very low | 41.5 | Very low | 127 Ų | 127 | 111.6 Ų | 111.6 | 56% | 0.557 | 57% | 0.567 | S | S | * | * | trans | -73.9 | 105.1 | 173.3 | -171.8 | -90.4 | 0 | 0 | 0 | 107.4 | Y326 Y330 | Y326-F328 PolarHBondContact O-N 3.46Å; F328-Y330 AromaticContact CD1-CD2 3.74Å; F328-Y330 HydrophobicContact CD1-CD2 3.74Å; F328-Y330 HydrophobicContact CD1-CE2 4.34Å; F328-Y330 AromaticContact CE1-CD2 3.98Å; F328-Y330 HydrophobicContact CE1-CD2 3.98Å; F328-Y330 HydrophobicContact CE1-CE2 4.4Å; F328-Y330 PolarHBondContact O-N 2.95Å | ||
| 329 | D | 37.8 | Very low | 41.5 | Very low | 107 Ų | 107 | 113.4 Ų | 113.4 | 57% | 0.572 | 57% | 0.568 | S | S | * | * | trans | -69.7 | 103.7 | 169.4 | -79.3 | -27.3 | 0 | 0 | 0 | 108.4 | S327 E331 | S327-D329 PolarHBondContact O-N 3.09Å; S327-D329 VanDerWaalsContact O-N 3.15Å; D329-E331 PolarHBondContact O-N 3.08Å | ||
| 330 | Y | 39.1 | Very low | 41.4 | Very low | 121 Ų | 121 | 116 Ų | 116 | 48% | 0.475 | 58% | 0.578 | S | S | . | * | G | 310 helix | trans | -62.7 | -1.5 | -179.3 | -131.9 | -107.9 | 0 | 0 | 0 | 113.8 | F328 L336 | F328-Y330 AromaticContact CD1-CD2 3.74Å; F328-Y330 HydrophobicContact CD1-CD2 3.74Å; F328-Y330 HydrophobicContact CD1-CE2 4.34Å; F328-Y330 AromaticContact CE1-CD2 3.98Å; F328-Y330 HydrophobicContact CE1-CD2 3.98Å; F328-Y330 HydrophobicContact CE1-CE2 4.4Å; F328-Y330 PolarHBondContact O-N 2.95Å; Y330-L336 HydrophobicContact CD1-CD1 3.38Å; Y330-L336 HydrophobicContact CD1-CD2 3.94Å; Y330-L336 HydrophobicContact CD1-CG 4.23Å; Y330-L336 HydrophobicContact CE1-CD1 3.05Å; Y330-L336 HydrophobicContact CE1-CD2 3.63Å; Y330-L336 HydrophobicContact CE1-CG 3.92Å; Y330-L336 HydrophobicContact CG-CD1 4.31Å |
| 331 | E | 40.3 | Very low | 41.2 | Very low | 148 Ų | 148 | 110.1 Ų | 110.1 | 69% | 0.692 | 56% | 0.559 | S | S | * | * | G | 310 helix | trans | -78.3 | -18.3 | -169.7 | -66.7 | -159.7 | 144.7 | 0 | 0 | 114.4 | D329 | D329-E331 PolarHBondContact O-N 3.08Š|
| 332 | N | 37.6 | Very low | 41.1 | Very low | 139 Ų | 139 | 110.8 Ų | 110.8 | 74% | 0.743 | 56% | 0.563 | S | S | * | * | G | 310 helix | trans | -113.7 | 13.1 | -174.1 | -72.5 | -38.8 | 0 | 0 | 0 | 115 | P334 | N332-P334 VanDerWaalsContact O-CD 3.24Å; N332-P334 WeakPolarHBondContact O-CD 3.45Å |
| 333 | D | 43.2 | Very low | 41.3 | Very low | 44 Ų | 44 | 106.7 Ų | 106.7 | 24% | 0.235 | 55% | 0.546 | C | S | . | . | trans | -75.4 | 114.4 | 177.3 | -166.7 | -7.7 | 0 | 0 | 0 | 110 | L335 L336 L337 | D333-L335 PolarHBondContact O-N 3.26Å; D333-L336 HydrophobicContact CB-CB 4.23Å; D333-L336 HydrophobicContact CB-CD1 3.74Å; D333-L336 PolarHBondContact O-N 2.97Å; D333-L337 PolarHBondContact O-N 3.32Å; D333-L337 VanDerWaalsContact O-N 3.08Å | ||
| 334 | P | 37.8 | Very low | 41.5 | Very low | 94 Ų | 94 | 107.1 Ų | 107.1 | 61% | 0.61 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62 | -18.9 | -175.4 | 22.2 | -32.1 | 0 | 0 | 0 | 113.5 | N332 | N332-P334 VanDerWaalsContact O-CD 3.24Å; N332-P334 WeakPolarHBondContact O-CD 3.45Å |
| 335 | L | 45.2 | Very low | 41.7 | Very low | 121 Ų | 121 | 111.2 Ų | 111.2 | 63% | 0.634 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -78.6 | -31.1 | 172.7 | -71.5 | 170.5 | 0 | 0 | 0 | 112.7 | D333 K338 E339 | D333-L335 PolarHBondContact O-N 3.26Å; L335-K338 WeakPolarHBondContact O-CB 3.41Å; L335-K338 PolarHBondContact O-N 3.41Å; L335-E339 PolarHBondContact O-N 3.3Å; L335-E339 VanDerWaalsContact O-N 3.17Å |
| 336 | L | 45.2 | Very low | 41.9 | Very low | 30 Ų | 30 | 111 Ų | 111 | 16% | 0.157 | 56% | 0.557 | C | S | . | * | H | α-helix | trans | -79.3 | -24.4 | 173.5 | -86.8 | 133 | 0 | 0 | 0 | 113.4 | Y330 D333 K338 E339 K340 | Y330-L336 HydrophobicContact CD1-CD1 3.38Å; Y330-L336 HydrophobicContact CD1-CD2 3.94Å; Y330-L336 HydrophobicContact CD1-CG 4.23Å; Y330-L336 HydrophobicContact CE1-CD1 3.05Å; Y330-L336 HydrophobicContact CE1-CD2 3.63Å; Y330-L336 HydrophobicContact CE1-CG 3.92Å; Y330-L336 HydrophobicContact CG-CD1 4.31Å; D333-L336 HydrophobicContact CB-CB 4.23Å; D333-L336 HydrophobicContact CB-CD1 3.74Å; D333-L336 PolarHBondContact O-N 2.97Å; L336-K338 PolarHBondContact O-N 3.49Å; L336-E339 PolarHBondContact O-N 3.31Å; L336-K340 VanDerWaalsContact O-CB 3.27Å; L336-K340 WeakPolarHBondContact O-CB 3.35Å; L336-K340 WeakPolarHBondContact O-CG 3.39Å; L336-K340 PolarHBondContact O-N 3Å |
| 337 | L | 43.5 | Very low | 42.1 | Very low | 106 Ų | 106 | 108.7 Ų | 108.7 | 56% | 0.555 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -61.4 | -34.5 | 166.3 | -89 | 148.2 | 0 | 0 | 0 | 111.3 | D333 S341 | D333-L337 PolarHBondContact O-N 3.32Å; D333-L337 VanDerWaalsContact O-N 3.08Å; L337-S341 WeakPolarHBondContact O-CB 3.45Å; L337-S341 PolarHBondContact O-N 3.49Å; L337-S341 VanDerWaalsContact O-N 3.1Å; L337-S341 PolarHBondContact O-OG 3.37Å |
| 338 | K | 47.1 | Very low | 42.2 | Very low | 150 Ų | 150 | 110.9 Ų | 110.9 | 65% | 0.652 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -75.3 | -32.4 | 173.5 | -101.8 | -177.5 | 175.2 | -179.7 | 0 | 114.1 | L335 L336 S341 N342 | L335-K338 WeakPolarHBondContact O-CB 3.41Å; L335-K338 PolarHBondContact O-N 3.41Å; L336-K338 PolarHBondContact O-N 3.49Å; K338-S341 WeakPolarHBondContact CA-OG 3.4Å; K338-S341 PolarHBondContact O-OG 2.93Å; K338-N342 PolarHBondContact O-N 3.44Å |
| 339 | E | 46.4 | Very low | 42.4 | Very low | 119 Ų | 119 | 114.3 Ų | 114.3 | 56% | 0.556 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -77.3 | -39 | 173.4 | -96.1 | -177.7 | 159.9 | 0 | 0 | 112.1 | L335 L336 S341 N342 I343 | L335-E339 PolarHBondContact O-N 3.3Å; L335-E339 VanDerWaalsContact O-N 3.17Å; L336-E339 PolarHBondContact O-N 3.31Å; E339-S341 VanDerWaalsContact C-N 3.35Å; E339-S341 PolarHBondContact O-N 3.15Å; E339-N342 PolarHBondContact O-N 2.72Å; E339-I343 HydrophobicContact CB-CD1 4.42Å; E339-I343 WeakPolarHBondContact O-CB 3.14Å; E339-I343 WeakPolarHBondContact O-CD1 3.24Å; E339-I343 WeakPolarHBondContact O-CG1 2.84Å; E339-I343 PolarHBondContact O-N 3.49Å |
| 340 | K | 45.6 | Very low | 42.2 | Very low | 109 Ų | 109 | 116.6 Ų | 116.6 | 47% | 0.474 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65 | -36.4 | 175.1 | -78.7 | -178 | 175.4 | 178.2 | 0 | 112.1 | L336 N342 I343 Q344 | L336-K340 VanDerWaalsContact O-CB 3.27Å; L336-K340 WeakPolarHBondContact O-CB 3.35Å; L336-K340 WeakPolarHBondContact O-CG 3.39Å; L336-K340 PolarHBondContact O-N 3Å; K340-N342 VanDerWaalsContact C-N 3.33Å; K340-I343 PolarHBondContact O-N 2.8Å; K340-Q344 WeakPolarHBondContact O-CB 3.41Å; K340-Q344 PolarHBondContact O-N 3.14Å |
| 341 | S | 45.3 | Very low | 41.8 | Very low | 58 Ų | 58 | 119.5 Ų | 119.5 | 41% | 0.406 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -64.8 | -37.5 | 173.3 | 61.9 | 0 | 0 | 0 | 0 | 112.2 | L337 K338 E339 | L337-S341 WeakPolarHBondContact O-CB 3.45Å; L337-S341 PolarHBondContact O-N 3.49Å; L337-S341 VanDerWaalsContact O-N 3.1Å; L337-S341 PolarHBondContact O-OG 3.37Å; K338-S341 WeakPolarHBondContact CA-OG 3.4Å; K338-S341 PolarHBondContact O-OG 2.93Å; E339-S341 VanDerWaalsContact C-N 3.35Å; E339-S341 PolarHBondContact O-N 3.15Å |
| 342 | N | 43.1 | Very low | 41.4 | Very low | 102 Ų | 102 | 121.9 Ų | 121.9 | 55% | 0.545 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -78.2 | -20.4 | 177.2 | -75.7 | -8.4 | 0 | 0 | 0 | 114.2 | K338 E339 K340 N346 | K338-N342 PolarHBondContact O-N 3.44Å; E339-N342 PolarHBondContact O-N 2.72Å; K340-N342 VanDerWaalsContact C-N 3.33Å; N342-N346 PolarHBondContact O-ND2 3.36Å |
| 343 | I | 45.7 | Very low | 41.2 | Very low | 103 Ų | 103 | 119.3 Ų | 119.3 | 53% | 0.528 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -89.6 | -31.5 | 177.1 | -66.1 | 163.6 | 0 | 0 | 0 | 111.3 | E339 K340 N346 S347 | E339-I343 HydrophobicContact CB-CD1 4.42Å; E339-I343 WeakPolarHBondContact O-CB 3.14Å; E339-I343 WeakPolarHBondContact O-CD1 3.24Å; E339-I343 WeakPolarHBondContact O-CG1 2.84Å; E339-I343 PolarHBondContact O-N 3.49Å; K340-I343 PolarHBondContact O-N 2.8Å; I343-N346 PolarHBondContact O-N 3.05Å; I343-S347 VanDerWaalsContact O-CB 3.31Å; I343-S347 WeakPolarHBondContact O-CB 3.25Å; I343-S347 PolarHBondContact O-N 3.47Å; I343-S347 VanDerWaalsContact O-N 3.07Å; I343-S347 PolarHBondContact O-OG 3.38Å |
| 344 | Q | 42.9 | Very low | 40.5 | Very low | 140 Ų | 140 | 125.4 Ų | 125.4 | 65% | 0.654 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -69.9 | -32.4 | 175.2 | -89.6 | -176.8 | -18.5 | 0 | 0 | 113.1 | K340 N346 I348 | K340-Q344 WeakPolarHBondContact O-CB 3.41Å; K340-Q344 PolarHBondContact O-N 3.14Å; Q344-N346 VanDerWaalsContact C-N 3.28Å; Q344-N346 PolarHBondContact O-N 2.83Å; Q344-I348 WeakPolarHBondContact O-CD1 3.41Å; Q344-I348 WeakPolarHBondContact O-CG1 3.37Å |
| 345 | E | 43.5 | Very low | 40.2 | Very low | 158 Ų | 158 | 127.8 Ų | 127.8 | 74% | 0.738 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -70.9 | -21.9 | 173.9 | -76.7 | -173.5 | 157.6 | 0 | 0 | 113.5 | ||
| 346 | N | 42.6 | Very low | 39.6 | Very low | 137 Ų | 137 | 128.1 Ų | 128.1 | 73% | 0.733 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -103.1 | -12.1 | -177.4 | -70.9 | -46 | 0 | 0 | 0 | 114.7 | N342 I343 Q344 | N342-N346 PolarHBondContact O-ND2 3.36Å; I343-N346 PolarHBondContact O-N 3.05Å; Q344-N346 VanDerWaalsContact C-N 3.28Å; Q344-N346 PolarHBondContact O-N 2.83Å |
| 347 | S | 41.5 | Very low | 39 | Very low | 66 Ų | 66 | 134.5 Ų | 134.5 | 46% | 0.462 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -97.9 | -5.2 | -175.9 | 52.2 | 0 | 0 | 0 | 0 | 115.2 | I343 K349 | I343-S347 VanDerWaalsContact O-CB 3.31Å; I343-S347 WeakPolarHBondContact O-CB 3.25Å; I343-S347 PolarHBondContact O-N 3.47Å; I343-S347 VanDerWaalsContact O-N 3.07Å; I343-S347 PolarHBondContact O-OG 3.38Å; S347-K349 PolarHBondContact O-N 2.96Å |
| 348 | I | 38.5 | Very low | 38.6 | Very low | 150 Ų | 150 | 133.6 Ų | 133.6 | 77% | 0.769 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | -7.7 | 179.2 | -64.9 | 167.7 | 0 | 0 | 0 | 112.4 | Q344 | Q344-I348 WeakPolarHBondContact O-CD1 3.41Å; Q344-I348 WeakPolarHBondContact O-CG1 3.37Å |
| 349 | K | 39.5 | Very low | 38.1 | Very low | 198 Ų | 198 | 134.5 Ų | 134.5 | 86% | 0.861 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | -13.7 | -174.3 | -82.7 | -177.4 | 175.7 | 177.2 | 0 | 116.9 | S347 | S347-K349 PolarHBondContact O-N 2.96Š|
| 350 | E | 33 | Very low | 37.4 | Very low | 156 Ų | 156 | 140.5 Ų | 140.5 | 73% | 0.729 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -145.6 | 135.5 | -173.9 | -68.7 | -178.3 | 160.4 | 0 | 0 | 112.6 | ||
| 351 | F | 31.3 | Very low | 36.6 | Very low | 182 Ų | 182 | 143.3 Ų | 143.3 | 80% | 0.798 | 72% | 0.718 | S | S | * | * | trans | 87.5 | 73.6 | 172.5 | -61.9 | -80.6 | 0 | 0 | 0 | 118.3 | S353 | F351-S353 PolarHBondContact O-N 3.16Š| ||
| 352 | H | 30 | Very low | 35.8 | Very low | 198 Ų | 198 | 151.8 Ų | 151.8 | 92% | 0.917 | 74% | 0.743 | S | S | * | * | trans | -55.1 | 106.3 | 134.4 | -68.4 | -75.3 | 0 | 0 | 0 | 110.1 | ||||
| 353 | S | 34.7 | Very low | 35.1 | Very low | 84 Ų | 84 | 154.5 Ų | 154.5 | 59% | 0.587 | 76% | 0.757 | S | S | * | * | trans | -143.7 | 107.4 | 152.3 | 60.4 | 0 | 0 | 0 | 0 | 109.6 | F351 I355 | F351-S353 PolarHBondContact O-N 3.16Å; S353-I355 PolarHBondContact O-N 2.98Å | ||
| 354 | N | 28.7 | Very low | 34.4 | Very low | 173 Ų | 173 | 154.5 Ų | 154.5 | 93% | 0.925 | 76% | 0.764 | S | S | * | * | trans | -65.8 | 105.5 | 171.4 | -74.7 | -30.4 | 0 | 0 | 0 | 108.7 | ||||
| 355 | I | 30.8 | Very low | 33.7 | Very low | 144 Ų | 144 | 154.9 Ų | 154.9 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | trans | -121.5 | 107.7 | 166.2 | -59.6 | 178.7 | 0 | 0 | 0 | 108.3 | S353 L357 | S353-I355 PolarHBondContact O-N 2.98Å; I355-L357 PolarHBondContact O-N 3.32Å | ||
| 356 | N | 32 | Very low | 33 | Very low | 127 Ų | 127 | 154.1 Ų | 154.1 | 68% | 0.679 | 77% | 0.769 | S | S | * | * | trans | -68.9 | 115.1 | 179 | -138.1 | -19.9 | 0 | 0 | 0 | 109 | S358 | N356-S358 PolarHBondContact O-N 2.91Å; N356-S358 VanDerWaalsContact O-N 3.16Å | ||
| 357 | L | 32.4 | Very low | 32.4 | Very low | 164 Ų | 164 | 154.2 Ų | 154.2 | 86% | 0.859 | 77% | 0.769 | S | S | * | * | G | 310 helix | trans | -71 | -2.6 | -176.5 | -88.4 | 151.8 | 0 | 0 | 0 | 114.4 | I355 Q359 | I355-L357 PolarHBondContact O-N 3.32Å; L357-Q359 VanDerWaalsContact C-N 3.32Å; L357-Q359 PolarHBondContact O-N 2.91Å |
| 358 | S | 36.7 | Very low | 31.8 | Very low | 88 Ų | 88 | 158.5 Ų | 158.5 | 62% | 0.615 | 78% | 0.781 | S | S | * | * | G | 310 helix | trans | -78.1 | -3.7 | -176.7 | 49.8 | 0 | 0 | 0 | 0 | 115.5 | N356 | N356-S358 PolarHBondContact O-N 2.91Å; N356-S358 VanDerWaalsContact O-N 3.16Å |
| 359 | Q | 36.7 | Very low | 31.3 | Very low | 169 Ų | 169 | 159.9 Ų | 159.9 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | G | 310 helix | trans | -103 | 8.1 | -174.2 | -73.1 | -177.5 | -19.7 | 0 | 0 | 115.8 | L357 M361 | L357-Q359 VanDerWaalsContact C-N 3.32Å; L357-Q359 PolarHBondContact O-N 2.91Å; Q359-M361 VanDerWaalsContact C-N 3.28Å; Q359-M361 PolarHBondContact O-N 3.42Å |
| 360 | R | 31.1 | Very low | 30.9 | Very low | 245 Ų | 245 | 155.6 Ų | 155.6 | 93% | 0.925 | 78% | 0.775 | S | S | * | * | trans | -91 | 57.1 | 169.9 | -83.5 | -171 | 173.7 | 176.9 | 1.8 | 112 | ||||
| 361 | M | 28.1 | Very low | 30.7 | Very low | 167 Ų | 167 | 154.5 Ų | 154.5 | 82% | 0.823 | 77% | 0.769 | S | S | * | * | trans | -97.2 | 99.7 | 154 | -76.2 | -147.4 | -163.5 | 0 | 0 | 107.1 | Q359 | Q359-M361 VanDerWaalsContact C-N 3.28Å; Q359-M361 PolarHBondContact O-N 3.42Å | ||
| 362 | Y | 28.4 | Very low | 30.7 | Very low | 236 Ų | 236 | 151.8 Ų | 151.8 | 93% | 0.925 | 76% | 0.763 | S | S | * | * | trans | 175.3 | 69.5 | 157.5 | -86.4 | -63.7 | 0 | 0 | 0 | 106.2 | ||||
| 363 | L | 29.7 | Very low | 30.8 | Very low | 160 Ų | 160 | 148.9 Ų | 148.9 | 84% | 0.838 | 75% | 0.748 | S | S | * | * | trans | -113.2 | 123.5 | 155.6 | -92.9 | 155.2 | 0 | 0 | 0 | 104.6 | D365 | L363-D365 PolarHBondContact O-N 2.88Š| ||
| 364 | P | 31.4 | Very low | 30.8 | Very low | 103 Ų | 103 | 154.4 Ų | 154.4 | 67% | 0.669 | 76% | 0.756 | S | S | * | * | trans | -62.3 | 138.4 | 176.3 | 27.2 | -30.6 | 0 | 0 | 0 | 108 | I366 | P364-I366 VanDerWaalsContact C-N 3.29Å; P364-I366 PolarHBondContact O-N 3.03Å | ||
| 365 | D | 27.1 | Very low | 31.3 | Very low | 147 Ų | 147 | 149.6 Ų | 149.6 | 79% | 0.786 | 73% | 0.734 | S | S | * | * | trans | -54.7 | 91.7 | 171.7 | -72.3 | -44.4 | 0 | 0 | 0 | 109.8 | L363 I367 | L363-D365 PolarHBondContact O-N 2.88Å; D365-I367 PolarHBondContact O-N 2.95Å; D365-I367 VanDerWaalsContact O-N 3.14Å | ||
| 366 | I | 29.2 | Very low | 31.5 | Very low | 142 Ų | 142 | 152.1 Ų | 152.1 | 73% | 0.728 | 74% | 0.736 | S | S | * | * | trans | -85.7 | 63.1 | 158.6 | -51.7 | 174.6 | 0 | 0 | 0 | 105.7 | P364 E368 | P364-I366 VanDerWaalsContact C-N 3.29Å; P364-I366 PolarHBondContact O-N 3.03Å; I366-E368 HydrophobicContact CG2-CB 4.47Å | ||
| 367 | I | 28.8 | Very low | 31.9 | Very low | 140 Ų | 140 | 149.8 Ų | 149.8 | 72% | 0.718 | 72% | 0.723 | S | S | * | * | trans | -93.4 | 62.7 | 153.8 | -53.8 | 176.6 | 0 | 0 | 0 | 104.6 | D365 Q369 | D365-I367 PolarHBondContact O-N 2.95Å; D365-I367 VanDerWaalsContact O-N 3.14Å; I367-Q369 PolarHBondContact O-N 2.83Å | ||
| 368 | E | 29.5 | Very low | 32 | Very low | 155 Ų | 155 | 146.5 Ų | 146.5 | 72% | 0.724 | 70% | 0.703 | S | S | * | * | trans | -83.2 | 114.2 | 162.4 | -144.7 | 172.9 | -161.7 | 0 | 0 | 105.7 | I366 V370 | I366-E368 HydrophobicContact CG2-CB 4.47Å; E368-V370 PolarHBondContact O-N 3.35Å | ||
| 369 | Q | 28.4 | Very low | 32 | Very low | 179 Ų | 179 | 148.3 Ų | 148.3 | 84% | 0.836 | 70% | 0.702 | S | S | * | * | trans | -56.3 | 78.2 | 170.6 | -70.3 | 170.9 | -31.1 | 0 | 0 | 109.4 | I367 E371 | I367-Q369 PolarHBondContact O-N 2.83Å; Q369-E371 PolarHBondContact O-N 3.12Å | ||
| 370 | V | 30.4 | Very low | 32.1 | Very low | 108 Ų | 108 | 146 Ų | 146 | 66% | 0.655 | 69% | 0.689 | S | S | * | * | trans | -71.7 | 92.3 | 153.2 | -174.9 | 0 | 0 | 0 | 0 | 103.6 | E368 N372 | E368-V370 PolarHBondContact O-N 3.35Å; V370-N372 PolarHBondContact O-N 3.46Å | ||
| 371 | E | 29.5 | Very low | 32.4 | Very low | 133 Ų | 133 | 141.3 Ų | 141.3 | 62% | 0.621 | 68% | 0.675 | S | S | * | * | trans | -46.7 | 95.9 | 156.5 | -81.8 | -171.1 | 132.4 | 0 | 0 | 105.9 | Q369 K373 | Q369-E371 PolarHBondContact O-N 3.12Å; E371-K373 HydrophobicContact CB-CD 4.31Å; E371-K373 HydrophobicContact CB-CG 4.18Å; E371-K373 PolarHBondContact O-N 3.26Å; E371-K373 IonicContact OE1-NZ 3.68Å; E371-K373 WeakPolarHBondContact OE2-CE 3.45Å; E371-K373 IonicContact OE2-NZ 2.66Å; E371-K373 PolarHBondContact OE2-NZ 3.46Å | ||
| 372 | N | 30.8 | Very low | 32.7 | Very low | 125 Ų | 125 | 136 Ų | 136 | 67% | 0.668 | 66% | 0.663 | S | S | * | * | trans | -71.6 | 71.3 | 172.8 | -129.1 | -3.6 | 0 | 0 | 0 | 105 | V370 W374 | V370-N372 PolarHBondContact O-N 3.46Å; N372-W374 PolarHBondContact O-N 2.78Å | ||
| 373 | K | 32.5 | Very low | 32.9 | Very low | 137 Ų | 137 | 127.8 Ų | 127.8 | 60% | 0.596 | 64% | 0.64 | S | S | * | * | trans | -73.8 | 49 | 173 | -88.8 | 171.4 | 172 | 160.9 | 0 | 108.6 | E371 | E371-K373 HydrophobicContact CB-CD 4.31Å; E371-K373 HydrophobicContact CB-CG 4.18Å; E371-K373 PolarHBondContact O-N 3.26Å; E371-K373 IonicContact OE1-NZ 3.68Å; E371-K373 WeakPolarHBondContact OE2-CE 3.45Å; E371-K373 IonicContact OE2-NZ 2.66Å; E371-K373 PolarHBondContact OE2-NZ 3.46Å | ||
| 374 | W | 34.7 | Very low | 33.3 | Very low | 200 Ų | 200 | 126.9 Ų | 126.9 | 76% | 0.758 | 63% | 0.629 | S | S | * | * | trans | -80.6 | 120.2 | 153.8 | -74.6 | 87.3 | 0 | 0 | 0 | 105.2 | N372 Y376 | N372-W374 PolarHBondContact O-N 2.78Å; W374-Y376 PolarHBondContact O-N 3.16Å | ||
| 375 | P | 39.2 | Very low | 33.5 | Very low | 72 Ų | 72 | 127.8 Ų | 127.8 | 47% | 0.468 | 62% | 0.62 | S | S | . | * | trans | -54 | 125 | 171.9 | 23.2 | -30 | 0 | 0 | 0 | 106.1 | L377 | P375-L377 HydrophobicContact CB-CD2 4.4Å; P375-L377 HydrophobicContact CG-CD2 4.23Å; P375-L377 HydrophobicContact CG-CG 4.44Å; P375-L377 PolarHBondContact O-N 3.29Å | ||
| 376 | Y | 35.7 | Very low | 34.1 | Very low | 198 Ų | 198 | 125.3 Ų | 125.3 | 78% | 0.776 | 61% | 0.61 | S | S | * | * | trans | -57.6 | 95 | 169.2 | -75.9 | -85.7 | 0 | 0 | 0 | 106.6 | W374 E378 | W374-Y376 PolarHBondContact O-N 3.16Å; Y376-E378 PolarHBondContact O-N 3.44Å | ||
| 377 | L | 39.7 | Very low | 34.7 | Very low | 77 Ų | 77 | 122.5 Ų | 122.5 | 40% | 0.403 | 60% | 0.6 | S | S | . | * | trans | -78 | 103.5 | 175.1 | -65.6 | 176.3 | 0 | 0 | 0 | 105.8 | P375 H379 F384 T386 | P375-L377 HydrophobicContact CB-CD2 4.4Å; P375-L377 HydrophobicContact CG-CD2 4.23Å; P375-L377 HydrophobicContact CG-CG 4.44Å; P375-L377 PolarHBondContact O-N 3.29Å; L377-H379 PolarHBondContact O-N 3.37Å; L377-H379 VanDerWaalsContact O-N 3.16Å; L377-F384 HydrophobicContact CB-CB 4Å; L377-F384 HydrophobicContact CB-CD1 3.57Å; L377-F384 HydrophobicContact CB-CE1 4.42Å; L377-F384 HydrophobicContact CB-CG 4.14Å; L377-F384 HydrophobicContact CD1-CB 3.94Å; L377-F384 HydrophobicContact CD1-CD1 3.81Å; L377-F384 HydrophobicContact CD1-CE1 4.41Å; L377-F384 HydrophobicContact CD1-CG 3.86Å; L377-F384 HydrophobicContact CD2-CB 4.01Å; L377-F384 HydrophobicContact CG-CB 4.18Å; L377-F384 HydrophobicContact CG-CD1 4.26Å; L377-F384 HydrophobicContact CG-CG 4.46Å; L377-T386 HydrophobicContact CD2-CG2 4.24Å | ||
| 378 | E | 35.4 | Very low | 35.4 | Very low | 95 Ų | 95 | 124.5 Ų | 124.5 | 44% | 0.444 | 60% | 0.599 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -65.1 | 116.9 | 168.3 | -80.6 | -164.5 | -179.3 | 0 | 0 | 108.2 | Y376 K380 Y385 T387 | Y376-E378 PolarHBondContact O-N 3.44Å; E378-K380 PolarHBondContact O-N 3.05Å; E378-K380 IonicContact OE2-NZ 3.61Å; E378-K380 PolarHBondContact OE2-NZ 3.38Å; E378-Y385 PolarHBondContact N-O 3.25Å; E378-Y385 PolarHBondContact O-N 3.08Å; E378-T387 HydrophobicContact CG-CG2 4.29Å |
| 379 | H | 35.4 | Very low | 35.9 | Very low | 126 Ų | 126 | 122.8 Ų | 122.8 | 58% | 0.583 | 60% | 0.601 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -82.1 | 108.5 | 172 | -176.9 | -103.5 | 0 | 0 | 0 | 109.3 | L377 G382 | L377-H379 PolarHBondContact O-N 3.37Å; L377-H379 VanDerWaalsContact O-N 3.16Å; H379-G382 WeakPolarHBondContact NE2-CA 3.22Å |
| 380 | K | 38.6 | Very low | 36.7 | Very low | 121 Ų | 121 | 120.8 Ų | 120.8 | 53% | 0.526 | 60% | 0.595 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -128.3 | 124.8 | 169.8 | -84.4 | 175.5 | 179.5 | 137.4 | 0 | 108.7 | E378 G382 C383 Y385 | E378-K380 PolarHBondContact O-N 3.05Å; E378-K380 IonicContact OE2-NZ 3.61Å; E378-K380 PolarHBondContact OE2-NZ 3.38Å; K380-G382 VanDerWaalsContact C-N 3.32Å; K380-G382 PolarHBondContact O-N 2.74Å; K380-C383 PolarHBondContact N-O 3.39Å; K380-C383 PolarHBondContact O-N 2.96Å; K380-C383 VanDerWaalsContact O-N 3.13Å; K380-Y385 HydrophobicContact CB-CD2 4.32Å; K380-Y385 HydrophobicContact CB-CE2 3.94Å |
| 381 | K | 39 | Very low | 37 | Very low | 147 Ų | 147 | 125 Ų | 125 | 64% | 0.639 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 53.1 | 39 | 174.5 | -60.2 | -176.7 | 176.5 | 178.9 | 0 | 115 | I50 C383 | I50-K381 PolarHBondContact O-NZ 3.35Å; K381-C383 VanDerWaalsContact C-N 3.29Å; K381-C383 PolarHBondContact O-N 2.99Å |
| 382 | G | 33.5 | Very low | 37.3 | Very low | 55 Ų | 55 | 121.4 Ų | 121.4 | 57% | 0.567 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 80.5 | 5.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | H379 K380 | H379-G382 WeakPolarHBondContact NE2-CA 3.22Å; K380-G382 VanDerWaalsContact C-N 3.32Å; K380-G382 PolarHBondContact O-N 2.74Å |
| 383 | C | 32 | Very low | 37.3 | Very low | 63 Ų | 63 | 121.5 Ų | 121.5 | 43% | 0.426 | 62% | 0.617 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -118.1 | 148 | 177.3 | -63.7 | 0 | 0 | 0 | 0 | 110.8 | K380 K381 Y385 | K380-C383 PolarHBondContact N-O 3.39Å; K380-C383 PolarHBondContact O-N 2.96Å; K380-C383 VanDerWaalsContact O-N 3.13Å; K381-C383 VanDerWaalsContact C-N 3.29Å; K381-C383 PolarHBondContact O-N 2.99Å; C383-Y385 HydrophobicContact CB-CE2 3.91Å |
| 384 | F | 38.8 | Very low | 37.4 | Very low | 141 Ų | 141 | 127.6 Ų | 127.6 | 62% | 0.618 | 64% | 0.644 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -99.1 | 127.9 | 174.4 | -64.1 | -69.9 | 0 | 0 | 0 | 109.6 | L377 | L377-F384 HydrophobicContact CB-CB 4Å; L377-F384 HydrophobicContact CB-CD1 3.57Å; L377-F384 HydrophobicContact CB-CE1 4.42Å; L377-F384 HydrophobicContact CB-CG 4.14Å; L377-F384 HydrophobicContact CD1-CB 3.94Å; L377-F384 HydrophobicContact CD1-CD1 3.81Å; L377-F384 HydrophobicContact CD1-CE1 4.41Å; L377-F384 HydrophobicContact CD1-CG 3.86Å; L377-F384 HydrophobicContact CD2-CB 4.01Å; L377-F384 HydrophobicContact CG-CB 4.18Å; L377-F384 HydrophobicContact CG-CD1 4.26Å; L377-F384 HydrophobicContact CG-CG 4.46Å |
| 385 | Y | 36 | Very low | 37.6 | Very low | 123 Ų | 123 | 124 Ų | 124 | 48% | 0.482 | 64% | 0.638 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112 | 136.9 | 176.6 | -61.2 | -85.5 | 0 | 0 | 0 | 110.1 | E378 K380 C383 | E378-Y385 PolarHBondContact N-O 3.25Å; E378-Y385 PolarHBondContact O-N 3.08Å; K380-Y385 HydrophobicContact CB-CD2 4.32Å; K380-Y385 HydrophobicContact CB-CE2 3.94Å; C383-Y385 HydrophobicContact CB-CE2 3.91Å |
| 386 | T | 39.3 | Very low | 37.5 | Very low | 94 Ų | 94 | 126.7 Ų | 126.7 | 58% | 0.577 | 65% | 0.647 | S | S | * | * | trans | -83.3 | 133.2 | 170.3 | 62.5 | 0 | 0 | 0 | 0 | 109.1 | L377 | L377-T386 HydrophobicContact CD2-CG2 4.24Š| ||
| 387 | T | 42.4 | Very low | 37.6 | Very low | 84 Ų | 84 | 122.8 Ų | 122.8 | 52% | 0.515 | 64% | 0.64 | S | S | . | * | trans | -93.2 | 5.3 | -179.4 | 48.4 | 0 | 0 | 0 | 0 | 113.3 | E378 | E378-T387 HydrophobicContact CG-CG2 4.29Š| ||
| 388 | R | 42.6 | Very low | 37.5 | Very low | 182 Ų | 182 | 125.5 Ų | 125.5 | 69% | 0.687 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -118.1 | 137 | -179.1 | -66.9 | -172.6 | 179.9 | -176.1 | -0.3 | 111.3 | L390 | R388-L390 PolarHBondContact O-N 3.04Š|
| 389 | P | 41 | Very low | 37.6 | Very low | 118 Ų | 118 | 127.4 Ų | 127.4 | 77% | 0.766 | 67% | 0.667 | S | S | * | * | trans | -60.9 | 132.6 | 166.7 | 26.2 | -30.8 | 0 | 0 | 0 | 109 | E391 | P389-E391 PolarHBondContact O-N 3.17Å; P389-E391 VanDerWaalsContact O-N 3.09Å | ||
| 390 | L | 45.1 | Very low | 37.8 | Very low | 138 Ų | 138 | 127.5 Ų | 127.5 | 72% | 0.723 | 67% | 0.673 | S | S | * | * | trans | -69.6 | 100.4 | 169.1 | -83 | 152.7 | 0 | 0 | 0 | 107.5 | R388 G392 | R388-L390 PolarHBondContact O-N 3.04Å; L390-G392 PolarHBondContact O-N 3.32Å | ||
| 391 | E | 36 | Very low | 37.7 | Very low | 196 Ų | 196 | 127.9 Ų | 127.9 | 92% | 0.916 | 68% | 0.683 | S | S | * | * | trans | -69.3 | 105.3 | 160.4 | -77.5 | 179.5 | 164.9 | 0 | 0 | 107.7 | P389 | P389-E391 PolarHBondContact O-N 3.17Å; P389-E391 VanDerWaalsContact O-N 3.09Å | ||
| 392 | G | 35.4 | Very low | 37.6 | Very low | 58 Ų | 58 | 126.5 Ų | 126.5 | 60% | 0.598 | 69% | 0.686 | S | S | * | * | trans | 159.4 | 114.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | L390 | L390-G392 PolarHBondContact O-N 3.32Š| ||
| 393 | S | 31.4 | Very low | 37.9 | Very low | 126 Ų | 126 | 132.4 Ų | 132.4 | 88% | 0.881 | 70% | 0.696 | S | S | * | * | trans | -61.7 | 127.7 | 171.5 | 48.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 394 | F | 35.4 | Very low | 38.5 | Very low | 266 Ų | 266 | 138.7 Ų | 138.7 | 100% | 1.167 | 72% | 0.721 | S | S | * | * | trans | -106.9 | 0 | 158.2 | -86.7 | -78 | 0 | 0 | 0 | 109.8 |
Retrieved 394 of 394 residues in 79.6 ms
(Link to these results)