| 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 | 47.2 | Very low | 45 | Very low | 239 Ų | 239 | 155.5 Ų | 155.5 | 100% | 1.177 | 81% | 0.805 | S | S | * | * | 0 | 126.2 | 0 | -58.2 | -166 | 175.2 | 0 | 0 | 105.7 | |||||
| 2 | P | 46.7 | Very low | 44.2 | Very low | 110 Ų | 110 | 148.4 Ų | 148.4 | 71% | 0.714 | 80% | 0.799 | S | S | * | * | -144 | 175.4 | 54.8 | 24.2 | 2 | 0 | 0 | 0 | 116.2 | |||||
| 3 | E | 42 | Very low | 43.8 | Very low | 160 Ų | 160 | 143.6 Ų | 143.6 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | trans | 59.3 | 137.6 | 151.8 | -61.8 | -16 | 71.3 | 0 | 0 | 119.5 | ||||
| 4 | L | 44.9 | Very low | 43.5 | Very low | 117 Ų | 117 | 146.4 Ų | 146.4 | 61% | 0.613 | 81% | 0.809 | S | S | * | * | cis | -172.9 | 165.2 | 10.3 | -145.4 | 69.5 | 0 | 0 | 0 | 108 | ||||
| 5 | E | 47.1 | Very low | 43.5 | Very low | 170 Ų | 170 | 144.4 Ų | 144.4 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | trans | 79 | 146.9 | 151.7 | -64.7 | 159.1 | 128.4 | 0 | 0 | 119.6 | ||||
| 6 | D | 40.2 | Very low | 44 | Very low | 126 Ų | 126 | 142.1 Ų | 142.1 | 67% | 0.674 | 81% | 0.81 | S | S | * | * | cis | -174 | 150.2 | -35.6 | -148.6 | -19.7 | 0 | 0 | 0 | 105.2 | ||||
| 7 | F | 39.7 | Very low | 44.4 | Very low | 176 Ų | 176 | 136.9 Ų | 136.9 | 77% | 0.772 | 80% | 0.796 | S | S | * | * | trans | 66.7 | 126.4 | 165.2 | -70.2 | -77.5 | 0 | 0 | 0 | 124.2 | ||||
| 8 | P | 55.9 | Low | 44.8 | Very low | 112 Ų | 112 | 135.1 Ų | 135.1 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | trans | -89 | 166.9 | 158 | 39.7 | -31.8 | 0 | 0 | 0 | 110.4 | ||||
| 9 | P | 44.9 | Very low | 45.3 | Very low | 120 Ų | 120 | 133.8 Ų | 133.8 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | -146.2 | 167 | 50.9 | 37.5 | -15.1 | 0 | 0 | 0 | 117.3 | R11 | P9-R11 PolarHBondContact O-N 3.43Š| |||
| 10 | S | 47.5 | Very low | 45.9 | Very low | 131 Ų | 131 | 131.8 Ų | 131.8 | 92% | 0.916 | 77% | 0.77 | S | S | * | * | trans | -44.7 | 113.7 | 168.9 | -53.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 11 | R | 38.8 | Very low | 46.4 | Very low | 249 Ų | 249 | 127.9 Ų | 127.9 | 94% | 0.94 | 75% | 0.753 | S | S | * | * | trans | -114.1 | 119.5 | 161.2 | -153.4 | 171.7 | -169 | 145.2 | 1.2 | 107.8 | P9 G13 | P9-R11 PolarHBondContact O-N 3.43Å; R11-G13 PolarHBondContact O-N 2.85Å | ||
| 12 | G | 35.5 | Very low | 46.7 | Very low | 71 Ų | 71 | 123.2 Ų | 123.2 | 73% | 0.732 | 73% | 0.728 | S | S | * | * | trans | -44.6 | 130.5 | -163.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q14 | G12-Q14 PolarHBondContact O-N 3.16Š| ||
| 13 | G | 38.4 | Very low | 47.2 | Very low | 86 Ų | 86 | 122 Ų | 122 | 89% | 0.887 | 72% | 0.715 | S | S | * | * | trans | -62.5 | 89.5 | 161.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | R11 | R11-G13 PolarHBondContact O-N 2.85Š| ||
| 14 | Q | 40.1 | Very low | 47.7 | Very low | 182 Ų | 182 | 121 Ų | 121 | 85% | 0.85 | 71% | 0.71 | S | S | * | * | trans | -77.6 | 123.9 | 167 | -153.1 | 146.4 | 62.9 | 0 | 0 | 106.4 | G12 A16 | G12-Q14 PolarHBondContact O-N 3.16Å; Q14-A16 PolarHBondContact O-N 3.03Å | ||
| 15 | P | 44.2 | Very low | 48.1 | Very low | 117 Ų | 117 | 124.5 Ų | 124.5 | 76% | 0.76 | 72% | 0.715 | S | S | * | * | trans | -61.5 | 134.4 | -179.2 | 23.9 | -31.2 | 0 | 0 | 0 | 109.1 | G17 | P15-G17 VanDerWaalsContact C-N 3.31Å; P15-G17 PolarHBondContact O-N 3.48Å | ||
| 16 | A | 51 | Low | 48.4 | Very low | 107 Ų | 107 | 118.9 Ų | 118.9 | 88% | 0.884 | 70% | 0.695 | S | S | * | * | trans | -54.5 | 95.1 | 173 | 0 | 0 | 0 | 0 | 0 | 109.4 | Q14 | Q14-A16 PolarHBondContact O-N 3.03Š| ||
| 17 | G | 51.4 | Low | 49.1 | Very low | 54 Ų | 54 | 115.9 Ų | 115.9 | 56% | 0.557 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 147.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109 | P15 D19 | P15-G17 VanDerWaalsContact C-N 3.31Å; P15-G17 PolarHBondContact O-N 3.48Å; G17-D19 PolarHBondContact O-N 2.91Å |
| 18 | P | 51.4 | Low | 49.6 | Very low | 104 Ų | 104 | 112.7 Ų | 112.7 | 68% | 0.675 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -62 | 129.9 | -179.2 | 26.2 | -33.4 | 0 | 0 | 0 | 110.4 | P20 I23 | P18-P20 WeakPolarHBondContact O-CD 3.26Å; P18-P20 VanDerWaalsContact O-N 3.16Å; P18-I23 HydrophobicContact CB-CD1 4.01Å; P18-I23 HydrophobicContact CG-CD1 4.13Å |
| 19 | D | 54.5 | Low | 49.2 | Very low | 111 Ų | 111 | 113 Ų | 113 | 59% | 0.594 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 116.1 | -174.8 | -94.8 | -39.3 | 0 | 0 | 0 | 111 | G17 A21 Q22 I23 | G17-D19 PolarHBondContact O-N 2.91Å; D19-A21 PolarHBondContact O-N 3.42Å; D19-A21 VanDerWaalsContact O-N 3.12Å; D19-Q22 HydrophobicContact CB-CB 4.31Å; D19-Q22 PolarHBondContact O-N 3.28Å; D19-I23 PolarHBondContact O-N 3.11Å |
| 20 | P | 56 | Low | 49.3 | Very low | 93 Ų | 93 | 113.9 Ų | 113.9 | 60% | 0.604 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -64 | -23.4 | -175 | 23.6 | -32.4 | 0 | 0 | 0 | 112.4 | P18 Q24 | P18-P20 WeakPolarHBondContact O-CD 3.26Å; P18-P20 VanDerWaalsContact O-N 3.16Å; P20-Q24 WeakPolarHBondContact O-CB 3.25Å; P20-Q24 WeakPolarHBondContact O-CG 3.18Å; P20-Q24 PolarHBondContact O-N 2.83Å |
| 21 | A | 56.7 | Low | 49 | Very low | 50 Ų | 50 | 112.2 Ų | 112.2 | 41% | 0.413 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -71.8 | -28.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | D19 R25 | D19-A21 PolarHBondContact O-N 3.42Å; D19-A21 VanDerWaalsContact O-N 3.12Å; A21-R25 PolarHBondContact O-N 3.35Å |
| 22 | Q | 53.1 | Low | 49.4 | Very low | 142 Ų | 142 | 105.7 Ų | 105.7 | 66% | 0.664 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -81.6 | -36.4 | 178.3 | -154 | 173.4 | 14 | 0 | 0 | 111 | D19 R25 S26 | D19-Q22 HydrophobicContact CB-CB 4.31Å; D19-Q22 PolarHBondContact O-N 3.28Å; Q22-R25 PolarHBondContact O-N 3.17Å; Q22-S26 PolarHBondContact O-N 3.17Å |
| 23 | I | 57.1 | Low | 49.8 | Very low | 85 Ų | 85 | 109.4 Ų | 109.4 | 44% | 0.436 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -66.4 | -38 | 171.1 | -61.2 | 167.5 | 0 | 0 | 0 | 110.8 | P18 D19 R25 S26 V27 | P18-I23 HydrophobicContact CB-CD1 4.01Å; P18-I23 HydrophobicContact CG-CD1 4.13Å; D19-I23 PolarHBondContact O-N 3.11Å; I23-R25 VanDerWaalsContact C-N 3.35Å; I23-S26 PolarHBondContact O-OG 3.12Å; I23-V27 HydrophobicContact CG2-CG2 4.38Å; I23-V27 VanDerWaalsContact O-CB 3.24Å; I23-V27 WeakPolarHBondContact O-CB 3.4Å; I23-V27 VanDerWaalsContact O-CG2 3.23Å; I23-V27 WeakPolarHBondContact O-CG2 3.19Å; I23-V27 PolarHBondContact O-N 3.5Å |
| 24 | Q | 54.3 | Low | 50 | Low | 139 Ų | 139 | 112 Ų | 112 | 65% | 0.65 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -66.2 | -36.2 | 175 | -84 | -176.6 | -43.2 | 0 | 0 | 112.8 | P20 L28 | P20-Q24 WeakPolarHBondContact O-CB 3.25Å; P20-Q24 WeakPolarHBondContact O-CG 3.18Å; P20-Q24 PolarHBondContact O-N 2.83Å; Q24-L28 WeakPolarHBondContact O-CB 3.44Å; Q24-L28 PolarHBondContact O-N 3.35Å; Q24-L28 VanDerWaalsContact O-N 3.07Å |
| 25 | R | 52.9 | Low | 50.2 | Low | 189 Ų | 189 | 110.5 Ų | 110.5 | 71% | 0.713 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -72.5 | -43.4 | 175.8 | -79.2 | -175.1 | -176.3 | 126.8 | -0.6 | 112.2 | A21 Q22 I23 V27 L28 D29 | A21-R25 PolarHBondContact O-N 3.35Å; Q22-R25 PolarHBondContact O-N 3.17Å; I23-R25 VanDerWaalsContact C-N 3.35Å; R25-V27 VanDerWaalsContact C-N 3.31Å; R25-V27 PolarHBondContact O-N 2.87Å; R25-L28 PolarHBondContact O-N 2.91Å; R25-L28 VanDerWaalsContact O-N 3.13Å; R25-D29 PolarHBondContact O-N 3.01Å |
| 26 | S | 53.4 | Low | 50.1 | Low | 52 Ų | 52 | 112.7 Ų | 112.7 | 36% | 0.364 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -65.5 | -34.8 | 176.6 | 78.9 | 0 | 0 | 0 | 0 | 112.2 | Q22 I23 L28 D29 E30 | Q22-S26 PolarHBondContact O-N 3.17Å; I23-S26 PolarHBondContact O-OG 3.12Å; S26-L28 VanDerWaalsContact C-N 3.35Å; S26-D29 PolarHBondContact O-N 2.63Å; S26-E30 WeakPolarHBondContact O-CB 3.34Å; S26-E30 PolarHBondContact O-N 3.35Å |
| 27 | V | 54.4 | Low | 49.4 | Very low | 64 Ų | 64 | 114.9 Ų | 114.9 | 39% | 0.388 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -70.1 | -29 | 173.3 | 164.1 | 0 | 0 | 0 | 0 | 112.8 | I23 R25 Q31 | I23-V27 HydrophobicContact CG2-CG2 4.38Å; I23-V27 VanDerWaalsContact O-CB 3.24Å; I23-V27 WeakPolarHBondContact O-CB 3.4Å; I23-V27 VanDerWaalsContact O-CG2 3.23Å; I23-V27 WeakPolarHBondContact O-CG2 3.19Å; I23-V27 PolarHBondContact O-N 3.5Å; R25-V27 VanDerWaalsContact C-N 3.31Å; R25-V27 PolarHBondContact O-N 2.87Å; V27-Q31 WeakPolarHBondContact O-CB 3.22Å; V27-Q31 WeakPolarHBondContact O-CG 3.35Å |
| 28 | L | 49.7 | Very low | 49 | Very low | 109 Ų | 109 | 123.4 Ų | 123.4 | 57% | 0.571 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -73.7 | -37.6 | 172.2 | -120 | 71.6 | 0 | 0 | 0 | 111.4 | Q24 R25 S26 V32 | Q24-L28 WeakPolarHBondContact O-CB 3.44Å; Q24-L28 PolarHBondContact O-N 3.35Å; Q24-L28 VanDerWaalsContact O-N 3.07Å; R25-L28 PolarHBondContact O-N 2.91Å; R25-L28 VanDerWaalsContact O-N 3.13Å; S26-L28 VanDerWaalsContact C-N 3.35Å; L28-V32 WeakPolarHBondContact O-CG2 3.47Å |
| 29 | D | 47.8 | Very low | 48.7 | Very low | 118 Ų | 118 | 123 Ų | 123 | 63% | 0.631 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -75.2 | -43.7 | -178.9 | -128.5 | 49.3 | 0 | 0 | 0 | 111.9 | R25 S26 Q31 V32 | R25-D29 PolarHBondContact O-N 3.01Å; S26-D29 PolarHBondContact O-N 2.63Å; D29-Q31 VanDerWaalsContact C-N 3.32Å; D29-Q31 PolarHBondContact O-N 3.29Å; D29-V32 PolarHBondContact O-N 2.64Å |
| 30 | E | 48 | Very low | 48.2 | Very low | 138 Ų | 138 | 119 Ų | 119 | 65% | 0.645 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -76.2 | -12.9 | -178.9 | -78.2 | 173.4 | 113.7 | 0 | 0 | 114.3 | S26 | S26-E30 WeakPolarHBondContact O-CB 3.34Å; S26-E30 PolarHBondContact O-N 3.35Å |
| 31 | Q | 40.6 | Very low | 47.7 | Very low | 97 Ų | 97 | 117.4 Ų | 117.4 | 45% | 0.453 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -96.2 | -13.6 | 175.2 | -74.5 | -152.5 | 45.6 | 0 | 0 | 114.6 | V27 D29 | V27-Q31 WeakPolarHBondContact O-CB 3.22Å; V27-Q31 WeakPolarHBondContact O-CG 3.35Å; D29-Q31 VanDerWaalsContact C-N 3.32Å; D29-Q31 PolarHBondContact O-N 3.29Å |
| 32 | V | 47.3 | Very low | 47.3 | Very low | 111 Ų | 111 | 120.2 Ų | 120.2 | 67% | 0.673 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -90.9 | -30 | -177.4 | 171.8 | 0 | 0 | 0 | 0 | 112.2 | L28 D29 | L28-V32 WeakPolarHBondContact O-CG2 3.47Å; D29-V32 PolarHBondContact O-N 2.64Å |
| 33 | E | 42.7 | Very low | 47.1 | Very low | 149 Ų | 149 | 117.7 Ų | 117.7 | 70% | 0.696 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -98.6 | -18.9 | -172.9 | -65.7 | -165 | 146.6 | 0 | 0 | 116.1 | ||
| 34 | L | 43.7 | Very low | 46.7 | Very low | 140 Ų | 140 | 118 Ų | 118 | 73% | 0.733 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -110 | -9.2 | -174.9 | -81.5 | 101.6 | 0 | 0 | 0 | 116.6 | ||
| 35 | W | 43.6 | Very low | 46.4 | Very low | 151 Ų | 151 | 116.7 Ų | 116.7 | 57% | 0.572 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -90.8 | -17.9 | -177.6 | -123.5 | 86.2 | 0 | 0 | 0 | 114.3 | F37 V106 | W35-F37 PolarHBondContact O-N 3.42Å; W35-V106 HydrophobicContact CH2-CG2 4.35Å; W35-V106 HydrophobicContact CZ3-CG2 4.33Å |
| 36 | W | 43.2 | Very low | 46.4 | Very low | 164 Ų | 164 | 111.2 Ų | 111.2 | 62% | 0.621 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | -4.3 | 178.3 | -157.4 | 82.9 | 0 | 0 | 0 | 113.6 | P40 L44 | W36-P40 HydrophobicContact CD2-CB 3.96Å; W36-P40 HydrophobicContact CE3-CB 3.81Å; W36-P40 HydrophobicContact CE3-CG 4.04Å; W36-P40 HydrophobicContact CH2-CB 3.84Å; W36-P40 HydrophobicContact CH2-CG 4.5Å; W36-P40 HydrophobicContact CZ2-CB 3.97Å; W36-P40 HydrophobicContact CZ3-CB 3.75Å; W36-P40 HydrophobicContact CZ3-CG 3.99Å; W36-P40 WeakPolarHBondContact O-CB 3.34Å; W36-P40 VanDerWaalsContact O-CD 3.31Å; W36-P40 WeakPolarHBondContact O-CD 2.89Å; W36-P40 WeakPolarHBondContact O-CG 3.29Å; W36-L44 HydrophobicContact CZ2-CD1 4.49Å |
| 37 | F | 36.2 | Very low | 46.3 | Very low | 153 Ų | 153 | 116.1 Ų | 116.1 | 67% | 0.671 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110 | -0.9 | -166.3 | -99.8 | -76.4 | 0 | 0 | 0 | 118.2 | W35 | W35-F37 PolarHBondContact O-N 3.42Š|
| 38 | R | 42.6 | Very low | 46 | Very low | 232 Ų | 232 | 115.8 Ų | 115.8 | 88% | 0.875 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -80.3 | -28 | -177.2 | -154.2 | 85.4 | 75.7 | 160.4 | 3.4 | 114.1 | ||
| 39 | D | 44.5 | Very low | 46.2 | Very low | 96 Ų | 96 | 114.3 Ų | 114.3 | 51% | 0.513 | 57% | 0.565 | S | S | . | * | S | Bend | trans | -163.9 | 46.2 | 170.9 | -104.2 | -36.2 | 0 | 0 | 0 | 113.3 | A41 K42 | D39-A41 PolarHBondContact O-N 2.85Å; D39-A41 VanDerWaalsContact O-N 3.16Å; D39-K42 PolarHBondContact O-N 3.38Å; D39-K42 IonicContact OD1-NZ 2.72Å; D39-K42 PolarHBondContact OD1-NZ 3.35Å; D39-K42 IonicContact OD2-NZ 2.9Å; D39-K42 PolarHBondContact OD2-NZ 3.41Å |
| 40 | P | 44.6 | Very low | 46.5 | Very low | 28 Ų | 28 | 110.1 Ų | 110.1 | 18% | 0.182 | 55% | 0.547 | C | S | . | . | H | α-helix | trans | -59.7 | -31.7 | -176.8 | 24.8 | -33.3 | 0 | 0 | 0 | 112.4 | W36 K42 S43 L44 | W36-P40 HydrophobicContact CD2-CB 3.96Å; W36-P40 HydrophobicContact CE3-CB 3.81Å; W36-P40 HydrophobicContact CE3-CG 4.04Å; W36-P40 HydrophobicContact CH2-CB 3.84Å; W36-P40 HydrophobicContact CH2-CG 4.5Å; W36-P40 HydrophobicContact CZ2-CB 3.97Å; W36-P40 HydrophobicContact CZ3-CB 3.75Å; W36-P40 HydrophobicContact CZ3-CG 3.99Å; W36-P40 WeakPolarHBondContact O-CB 3.34Å; W36-P40 VanDerWaalsContact O-CD 3.31Å; W36-P40 WeakPolarHBondContact O-CD 2.89Å; W36-P40 WeakPolarHBondContact O-CG 3.29Å; P40-K42 VanDerWaalsContact C-N 3.33Å; P40-K42 PolarHBondContact O-N 2.85Å; P40-S43 PolarHBondContact O-N 2.85Å; P40-L44 WeakPolarHBondContact O-CB 3.43Å; P40-L44 PolarHBondContact O-N 3.41Å |
| 41 | A | 45.9 | Very low | 46.7 | Very low | 59 Ų | 59 | 106 Ų | 106 | 49% | 0.488 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.9 | -38.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | D39 L45 | D39-A41 PolarHBondContact O-N 2.85Å; D39-A41 VanDerWaalsContact O-N 3.16Å; A41-L45 WeakPolarHBondContact O-CB 3.18Å; A41-L45 WeakPolarHBondContact O-CD1 3.27Å; A41-L45 WeakPolarHBondContact O-CG 3.41Å; A41-L45 PolarHBondContact O-N 2.91Å |
| 42 | K | 47.6 | Very low | 47.4 | Very low | 109 Ų | 109 | 107.1 Ų | 107.1 | 47% | 0.474 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -74.6 | -40.3 | -178.1 | -63.4 | -167.9 | -171.1 | 85 | 0 | 112.1 | D39 P40 C46 | D39-K42 PolarHBondContact O-N 3.38Å; D39-K42 IonicContact OD1-NZ 2.72Å; D39-K42 PolarHBondContact OD1-NZ 3.35Å; D39-K42 IonicContact OD2-NZ 2.9Å; D39-K42 PolarHBondContact OD2-NZ 3.41Å; P40-K42 VanDerWaalsContact C-N 3.33Å; P40-K42 PolarHBondContact O-N 2.85Å; K42-C46 WeakPolarHBondContact O-CB 3.26Å; K42-C46 PolarHBondContact O-N 3.33Å |
| 43 | S | 49.4 | Very low | 47.8 | Very low | 88 Ų | 88 | 106.8 Ų | 106.8 | 62% | 0.615 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -68.8 | -43.2 | 176.9 | -172.9 | 0 | 0 | 0 | 0 | 111.2 | P40 L45 C46 Y47 | P40-S43 PolarHBondContact O-N 2.85Å; S43-L45 PolarHBondContact O-N 2.82Å; S43-C46 PolarHBondContact O-N 3.33Å; S43-Y47 WeakPolarHBondContact O-CB 3.35Å; S43-Y47 PolarHBondContact O-N 2.82Å |
| 44 | L | 49.1 | Very low | 48.7 | Very low | 91 Ų | 91 | 102 Ų | 102 | 48% | 0.476 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.9 | -41.1 | 175.7 | -160.9 | 97.1 | 0 | 0 | 0 | 111.4 | W36 P40 Y47 C48 | W36-L44 HydrophobicContact CZ2-CD1 4.49Å; P40-L44 WeakPolarHBondContact O-CB 3.43Å; P40-L44 PolarHBondContact O-N 3.41Å; L44-Y47 PolarHBondContact O-N 3.46Å; L44-C48 VanDerWaalsContact O-CB 3.28Å; L44-C48 WeakPolarHBondContact O-CB 3.44Å; L44-C48 PolarHBondContact O-N 2.95Å; L44-C48 PolarHBondContact O-SG 3.32Å |
| 45 | L | 47.6 | Very low | 49.3 | Very low | 112 Ų | 112 | 99.8 Ų | 99.8 | 59% | 0.586 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.7 | -42.5 | 175.6 | -77 | 169.4 | 0 | 0 | 0 | 111.8 | A41 S43 Y47 C48 V49 | A41-L45 WeakPolarHBondContact O-CB 3.18Å; A41-L45 WeakPolarHBondContact O-CD1 3.27Å; A41-L45 WeakPolarHBondContact O-CG 3.41Å; A41-L45 PolarHBondContact O-N 2.91Å; S43-L45 PolarHBondContact O-N 2.82Å; L45-Y47 VanDerWaalsContact C-N 3.34Å; L45-C48 PolarHBondContact O-N 3.41Å; L45-V49 WeakPolarHBondContact O-CB 3.26Å; L45-V49 WeakPolarHBondContact O-CG2 3.44Å; L45-V49 PolarHBondContact O-N 2.91Å |
| 46 | C | 52.8 | Low | 49.9 | Very low | 75 Ų | 75 | 94.8 Ų | 94.8 | 51% | 0.507 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.8 | -44.7 | 175.3 | -167.2 | 0 | 0 | 0 | 0 | 111.2 | K42 S43 V49 A50 | K42-C46 WeakPolarHBondContact O-CB 3.26Å; K42-C46 PolarHBondContact O-N 3.33Å; S43-C46 PolarHBondContact O-N 3.33Å; C46-V49 PolarHBondContact O-N 2.9Å; C46-A50 WeakPolarHBondContact O-CB 3.41Å; C46-A50 PolarHBondContact O-N 2.82Å |
| 47 | Y | 50.9 | Low | 50.5 | Low | 155 Ų | 155 | 89.6 Ų | 89.6 | 61% | 0.608 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63 | -46.7 | 176.4 | -178.1 | -100.3 | 0 | 0 | 0 | 112.3 | S43 L44 L45 V49 A50 V51 | S43-Y47 WeakPolarHBondContact O-CB 3.35Å; S43-Y47 PolarHBondContact O-N 2.82Å; L44-Y47 PolarHBondContact O-N 3.46Å; L45-Y47 VanDerWaalsContact C-N 3.34Å; Y47-V49 PolarHBondContact O-N 2.72Å; Y47-A50 PolarHBondContact O-N 3.46Å; Y47-V51 HydrophobicContact CD1-CG2 4.27Å; Y47-V51 HydrophobicContact CE1-CG2 3.91Å; Y47-V51 HydrophobicContact CE2-CG2 4.29Å; Y47-V51 WeakPolarHBondContact O-CB 3.46Å; Y47-V51 VanDerWaalsContact O-CG2 3.27Å; Y47-V51 WeakPolarHBondContact O-CG2 3.42Å; Y47-V51 PolarHBondContact O-N 3.49Å |
| 48 | C | 49.4 | Very low | 51.5 | Low | 56 Ų | 56 | 83.5 Ų | 83.5 | 38% | 0.378 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.9 | -41.5 | 177 | -74.2 | 0 | 0 | 0 | 0 | 111.8 | L44 L45 V51 L52 | L44-C48 VanDerWaalsContact O-CB 3.28Å; L44-C48 WeakPolarHBondContact O-CB 3.44Å; L44-C48 PolarHBondContact O-N 2.95Å; L44-C48 PolarHBondContact O-SG 3.32Å; L45-C48 PolarHBondContact O-N 3.41Å; C48-V51 PolarHBondContact O-N 3.4Å; C48-L52 WeakPolarHBondContact O-CB 3.32Å; C48-L52 VanDerWaalsContact O-CG 3.23Å; C48-L52 WeakPolarHBondContact O-CG 3.47Å; C48-L52 PolarHBondContact O-N 3.4Å |
| 49 | V | 52.6 | Low | 52 | Low | 78 Ų | 78 | 77.9 Ų | 77.9 | 47% | 0.473 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65.7 | -42.5 | 176.3 | 170.4 | 0 | 0 | 0 | 0 | 110.7 | L45 C46 Y47 L52 L53 | L45-V49 WeakPolarHBondContact O-CB 3.26Å; L45-V49 WeakPolarHBondContact O-CG2 3.44Å; L45-V49 PolarHBondContact O-N 2.91Å; C46-V49 PolarHBondContact O-N 2.9Å; Y47-V49 PolarHBondContact O-N 2.72Å; V49-L52 PolarHBondContact O-N 2.95Å; V49-L53 HydrophobicContact CG1-CD1 3.87Å; V49-L53 HydrophobicContact CG1-CG 4.36Å; V49-L53 WeakPolarHBondContact O-CB 3.35Å; V49-L53 VanDerWaalsContact O-CG 3.25Å; V49-L53 WeakPolarHBondContact O-CG 3.07Å; V49-L53 PolarHBondContact O-N 3.23Å |
| 50 | A | 54.7 | Low | 52.6 | Low | 31 Ų | 31 | 74.7 Ų | 74.7 | 26% | 0.256 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -60.8 | -46.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | C46 Y47 L52 L53 I54 | C46-A50 WeakPolarHBondContact O-CB 3.41Å; C46-A50 PolarHBondContact O-N 2.82Å; Y47-A50 PolarHBondContact O-N 3.46Å; A50-L52 PolarHBondContact O-N 3.36Å; A50-L53 PolarHBondContact O-N 2.86Å; A50-I54 WeakPolarHBondContact O-CB 3.46Å; A50-I54 WeakPolarHBondContact O-CD1 3.28Å; A50-I54 WeakPolarHBondContact O-CG1 3.31Å; A50-I54 PolarHBondContact O-N 2.66Å |
| 51 | V | 52.8 | Low | 53.1 | Low | 51 Ų | 51 | 74.1 Ų | 74.1 | 31% | 0.309 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.2 | -43.7 | 177.3 | 169.1 | 0 | 0 | 0 | 0 | 111.5 | Y47 C48 I54 L55 | Y47-V51 HydrophobicContact CD1-CG2 4.27Å; Y47-V51 HydrophobicContact CE1-CG2 3.91Å; Y47-V51 HydrophobicContact CE2-CG2 4.29Å; Y47-V51 WeakPolarHBondContact O-CB 3.46Å; Y47-V51 VanDerWaalsContact O-CG2 3.27Å; Y47-V51 WeakPolarHBondContact O-CG2 3.42Å; Y47-V51 PolarHBondContact O-N 3.49Å; C48-V51 PolarHBondContact O-N 3.4Å; V51-I54 PolarHBondContact O-N 3.47Å; V51-L55 HydrophobicContact CG1-CD1 3.84Å; V51-L55 WeakPolarHBondContact O-CB 3.2Å; V51-L55 PolarHBondContact O-N 2.92Å |
| 52 | L | 54.8 | Low | 53.5 | Low | 121 Ų | 121 | 76 Ų | 76 | 63% | 0.634 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -65.6 | -38.7 | 177.7 | -74.5 | 171.4 | 0 | 0 | 0 | 112.4 | C48 V49 A50 G56 | C48-L52 WeakPolarHBondContact O-CB 3.32Å; C48-L52 VanDerWaalsContact O-CG 3.23Å; C48-L52 WeakPolarHBondContact O-CG 3.47Å; C48-L52 PolarHBondContact O-N 3.4Å; V49-L52 PolarHBondContact O-N 2.95Å; A50-L52 PolarHBondContact O-N 3.36Å; L52-G56 PolarHBondContact O-N 2.95Å |
| 53 | L | 55 | Low | 53.9 | Low | 103 Ų | 103 | 76.3 Ų | 76.3 | 54% | 0.539 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -67.8 | -40 | 175.9 | -73.3 | 172.1 | 0 | 0 | 0 | 111.6 | V49 A50 C57 | V49-L53 HydrophobicContact CG1-CD1 3.87Å; V49-L53 HydrophobicContact CG1-CG 4.36Å; V49-L53 WeakPolarHBondContact O-CB 3.35Å; V49-L53 VanDerWaalsContact O-CG 3.25Å; V49-L53 WeakPolarHBondContact O-CG 3.07Å; V49-L53 PolarHBondContact O-N 3.23Å; A50-L53 PolarHBondContact O-N 2.86Å; L53-C57 WeakPolarHBondContact O-CB 3.45Å; L53-C57 PolarHBondContact O-N 3.44Å |
| 54 | I | 61.8 | Low | 54.1 | Low | 48 Ų | 48 | 74.9 Ų | 74.9 | 25% | 0.246 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -66.6 | -45.1 | 176.4 | -66.4 | 162.4 | 0 | 0 | 0 | 110.5 | A50 V51 G58 L88 L92 | A50-I54 WeakPolarHBondContact O-CB 3.46Å; A50-I54 WeakPolarHBondContact O-CD1 3.28Å; A50-I54 WeakPolarHBondContact O-CG1 3.31Å; A50-I54 PolarHBondContact O-N 2.66Å; V51-I54 PolarHBondContact O-N 3.47Å; I54-G58 PolarHBondContact O-N 3.45Å; I54-L88 HydrophobicContact CG1-CD2 4.18Å; I54-L92 HydrophobicContact CD1-CD1 3.75Å |
| 55 | L | 56.5 | Low | 54.3 | Low | 95 Ų | 95 | 74.6 Ų | 74.6 | 50% | 0.497 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.7 | -47.1 | 176.1 | -96.7 | 153.4 | 0 | 0 | 0 | 111.8 | V51 G58 L59 | V51-L55 HydrophobicContact CG1-CD1 3.84Å; V51-L55 WeakPolarHBondContact O-CB 3.2Å; V51-L55 PolarHBondContact O-N 2.92Å; L55-G58 PolarHBondContact O-N 3.34Å; L55-L59 HydrophobicContact CD2-CD1 3.96Å; L55-L59 WeakPolarHBondContact O-CB 3.12Å; L55-L59 WeakPolarHBondContact O-CD1 3.18Å; L55-L59 PolarHBondContact O-N 3.05Å |
| 56 | G | 56 | Low | 54.4 | Low | 45 Ų | 45 | 72.9 Ų | 72.9 | 46% | 0.464 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.5 | -41.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L52 G60 | L52-G56 PolarHBondContact O-N 2.95Å; G56-G60 PolarHBondContact O-N 2.93Å |
| 57 | C | 56.3 | Low | 54.4 | Low | 56 Ų | 56 | 73.4 Ų | 73.4 | 38% | 0.378 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -67.9 | -38.2 | 175.3 | -166.3 | 0 | 0 | 0 | 0 | 111.9 | L53 G61 | L53-C57 WeakPolarHBondContact O-CB 3.45Å; L53-C57 PolarHBondContact O-N 3.44Å; C57-G61 PolarHBondContact O-N 3.49Å |
| 58 | G | 56.1 | Low | 54.3 | Low | 25 Ų | 25 | 69.2 Ų | 69.2 | 26% | 0.258 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -67 | -48.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | I54 L55 G61 V62 | I54-G58 PolarHBondContact O-N 3.45Å; L55-G58 PolarHBondContact O-N 3.34Å; G58-G61 PolarHBondContact O-N 3Å; G58-V62 WeakPolarHBondContact O-CG2 3.13Å; G58-V62 PolarHBondContact O-N 2.85Å |
| 59 | L | 52.7 | Low | 54.1 | Low | 113 Ų | 113 | 72.2 Ų | 72.2 | 59% | 0.592 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -65.4 | -39.5 | 176.5 | -86.7 | 143.7 | 0 | 0 | 0 | 112 | L55 G61 V62 L63 | L55-L59 HydrophobicContact CD2-CD1 3.96Å; L55-L59 WeakPolarHBondContact O-CB 3.12Å; L55-L59 WeakPolarHBondContact O-CD1 3.18Å; L55-L59 PolarHBondContact O-N 3.05Å; L59-G61 VanDerWaalsContact C-N 3.35Å; L59-V62 PolarHBondContact O-N 3.33Å; L59-L63 WeakPolarHBondContact O-CB 3.26Å; L59-L63 PolarHBondContact O-N 2.8Å |
| 60 | G | 57.1 | Low | 53.6 | Low | 30 Ų | 30 | 73.3 Ų | 73.3 | 31% | 0.309 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.8 | -41.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | G56 L63 L64 | G56-G60 PolarHBondContact O-N 2.93Å; G60-L63 PolarHBondContact O-N 3.35Å; G60-L64 WeakPolarHBondContact O-CB 3.42Å; G60-L64 VanDerWaalsContact O-CG 3.25Å; G60-L64 WeakPolarHBondContact O-CG 3.27Å; G60-L64 PolarHBondContact O-N 3.16Å; G60-L64 VanDerWaalsContact O-N 3.1Å |
| 61 | G | 56.6 | Low | 53.3 | Low | 16 Ų | 16 | 80.7 Ų | 80.7 | 17% | 0.165 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -62.5 | -45.2 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | C57 G58 L59 L64 L65 | C57-G61 PolarHBondContact O-N 3.49Å; G58-G61 PolarHBondContact O-N 3Å; L59-G61 VanDerWaalsContact C-N 3.35Å; G61-L64 PolarHBondContact O-N 3.31Å; G61-L65 VanDerWaalsContact O-CD1 3.27Å; G61-L65 WeakPolarHBondContact O-CD1 3.31Å; G61-L65 WeakPolarHBondContact O-CG 3.35Å; G61-L65 PolarHBondContact O-N 3.36Å; G61-L65 VanDerWaalsContact O-N 3.12Å |
| 62 | V | 54.1 | Low | 53.1 | Low | 97 Ų | 97 | 84 Ų | 84 | 59% | 0.588 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.2 | -39.5 | 178.2 | 174 | 0 | 0 | 0 | 0 | 111.9 | G58 L59 L65 S66 | G58-V62 WeakPolarHBondContact O-CG2 3.13Å; G58-V62 PolarHBondContact O-N 2.85Å; L59-V62 PolarHBondContact O-N 3.33Å; V62-L65 PolarHBondContact O-N 3.42Å; V62-S66 PolarHBondContact O-N 2.84Å |
| 63 | L | 55 | Low | 53 | Low | 116 Ų | 116 | 81.8 Ų | 81.8 | 61% | 0.607 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.3 | -43.7 | 179.5 | -169.5 | 64.8 | 0 | 0 | 0 | 111.5 | L59 G60 L65 S66 T67 | L59-L63 WeakPolarHBondContact O-CB 3.26Å; L59-L63 PolarHBondContact O-N 2.8Å; G60-L63 PolarHBondContact O-N 3.35Å; L63-L65 VanDerWaalsContact C-N 3.29Å; L63-L65 PolarHBondContact O-N 3.22Å; L63-S66 PolarHBondContact O-N 3.22Å; L63-S66 PolarHBondContact O-OG 3.44Å; L63-T67 PolarHBondContact O-N 3.49Å; L63-T67 PolarHBondContact O-OG1 3.49Å |
| 64 | L | 54.4 | Low | 53.1 | Low | 59 Ų | 59 | 80.2 Ų | 80.2 | 31% | 0.309 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.1 | -32.8 | 175.7 | -71.9 | 170.5 | 0 | 0 | 0 | 112.8 | G60 G61 T67 T68 | G60-L64 WeakPolarHBondContact O-CB 3.42Å; G60-L64 VanDerWaalsContact O-CG 3.25Å; G60-L64 WeakPolarHBondContact O-CG 3.27Å; G60-L64 PolarHBondContact O-N 3.16Å; G60-L64 VanDerWaalsContact O-N 3.1Å; G61-L64 PolarHBondContact O-N 3.31Å; L64-T67 PolarHBondContact O-OG1 2.99Å; L64-T67 VanDerWaalsContact O-OG1 3.13Å; L64-T68 WeakPolarHBondContact O-CB 3.41Å; L64-T68 PolarHBondContact O-N 3.46Å; L64-T68 PolarHBondContact O-OG1 2.86Å |
| 65 | L | 52.7 | Low | 52.5 | Low | 84 Ų | 84 | 87.5 Ų | 87.5 | 44% | 0.44 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -72.8 | -35.9 | 174.9 | -69.2 | 159.5 | 0 | 0 | 0 | 112.2 | G61 V62 L63 T67 T68 L81 | G61-L65 VanDerWaalsContact O-CD1 3.27Å; G61-L65 WeakPolarHBondContact O-CD1 3.31Å; G61-L65 WeakPolarHBondContact O-CG 3.35Å; G61-L65 PolarHBondContact O-N 3.36Å; G61-L65 VanDerWaalsContact O-N 3.12Å; V62-L65 PolarHBondContact O-N 3.42Å; L63-L65 VanDerWaalsContact C-N 3.29Å; L63-L65 PolarHBondContact O-N 3.22Å; L65-T67 VanDerWaalsContact C-N 3.31Å; L65-T67 PolarHBondContact O-N 2.87Å; L65-T68 PolarHBondContact O-N 3.35Å; L65-L81 HydrophobicContact CD1-CD1 3.98Å; L65-L81 HydrophobicContact CD1-CD2 3.24Å; L65-L81 HydrophobicContact CD1-CG 4.21Å; L65-L81 HydrophobicContact CD2-CD2 3.97Å; L65-L81 HydrophobicContact CG-CD2 4.16Å |
| 66 | S | 50 | Low | 52.7 | Low | 76 Ų | 76 | 91.2 Ų | 91.2 | 53% | 0.531 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -70.3 | -27 | 179.1 | 80.5 | 0 | 0 | 0 | 0 | 113.2 | V62 L63 | V62-S66 PolarHBondContact O-N 2.84Å; L63-S66 PolarHBondContact O-N 3.22Å; L63-S66 PolarHBondContact O-OG 3.44Å |
| 67 | T | 53.4 | Low | 52.7 | Low | 86 Ų | 86 | 93.4 Ų | 93.4 | 53% | 0.528 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -85.5 | -17.9 | 177.1 | 52.7 | 0 | 0 | 0 | 0 | 113 | L63 L64 L65 T69 | L63-T67 PolarHBondContact O-N 3.49Å; L63-T67 PolarHBondContact O-OG1 3.49Å; L64-T67 PolarHBondContact O-OG1 2.99Å; L64-T67 VanDerWaalsContact O-OG1 3.13Å; L65-T67 VanDerWaalsContact C-N 3.31Å; L65-T67 PolarHBondContact O-N 2.87Å; T67-T69 PolarHBondContact O-N 2.89Å |
| 68 | T | 49.1 | Very low | 52.8 | Low | 67 Ų | 67 | 92.3 Ų | 92.3 | 41% | 0.411 | 52% | 0.521 | S | S | . | . | trans | -101.7 | 66.6 | -176.9 | -51.9 | 0 | 0 | 0 | 0 | 111.3 | L64 L65 S70 | L64-T68 WeakPolarHBondContact O-CB 3.41Å; L64-T68 PolarHBondContact O-N 3.46Å; L64-T68 PolarHBondContact O-OG1 2.86Å; L65-T68 PolarHBondContact O-N 3.35Å; T68-S70 PolarHBondContact O-N 3.34Å | ||
| 69 | T | 44.7 | Very low | 52.9 | Low | 120 Ų | 120 | 93.2 Ų | 93.2 | 74% | 0.736 | 53% | 0.526 | S | S | * | . | trans | -97.4 | 60.5 | 175.8 | 67.9 | 0 | 0 | 0 | 0 | 111.8 | T67 | T67-T69 PolarHBondContact O-N 2.89Š| ||
| 70 | S | 42.5 | Very low | 53.4 | Low | 100 Ų | 100 | 89.8 Ų | 89.8 | 70% | 0.699 | 52% | 0.518 | S | S | * | . | trans | -139.9 | 63.2 | 176.3 | -149 | 0 | 0 | 0 | 0 | 114.4 | T68 S72 | T68-S70 PolarHBondContact O-N 3.34Å; S70-S72 VanDerWaalsContact C-N 3.34Å; S70-S72 PolarHBondContact O-N 2.96Å | ||
| 71 | F | 48.2 | Very low | 53.9 | Low | 187 Ų | 187 | 90.8 Ų | 90.8 | 82% | 0.82 | 52% | 0.516 | S | S | * | . | S | Bend | trans | 29.3 | 6.9 | 143.9 | -103.5 | -84.8 | 0 | 0 | 0 | 125.5 | D74 | F71-D74 WeakPolarHBondContact CA-OD2 3.4Š|
| 72 | S | 47 | Very low | 53.9 | Low | 120 Ų | 120 | 92.2 Ų | 92.2 | 84% | 0.839 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -128.3 | -9.2 | -174.6 | -152.4 | 0 | 0 | 0 | 0 | 117 | S70 | S70-S72 VanDerWaalsContact C-N 3.34Å; S70-S72 PolarHBondContact O-N 2.96Å |
| 73 | S | 53.7 | Low | 54 | Low | 74 Ų | 74 | 93.3 Ų | 93.3 | 52% | 0.517 | 53% | 0.528 | S | S | . | . | S | Bend | trans | -120.4 | 14.1 | 175.4 | 60.3 | 0 | 0 | 0 | 0 | 114.1 | W75 R76 | S73-W75 PolarHBondContact O-N 3.45Å; S73-R76 PolarHBondContact O-N 3.39Å |
| 74 | D | 57.4 | Low | 54.6 | Low | 70 Ų | 70 | 89.6 Ų | 89.6 | 37% | 0.374 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.2 | -28.9 | -153.8 | -62.5 | -16.2 | 0 | 0 | 0 | 116.1 | F71 G78 | F71-D74 WeakPolarHBondContact CA-OD2 3.4Å; D74-G78 WeakPolarHBondContact O-CA 3.24Å; D74-G78 PolarHBondContact O-N 3.32Å |
| 75 | W | 49.5 | Very low | 54.6 | Low | 202 Ų | 202 | 91.1 Ų | 91.1 | 77% | 0.765 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -78.1 | -26.8 | -173.7 | 67.4 | -89.8 | 0 | 0 | 0 | 113.1 | S73 A79 | S73-W75 PolarHBondContact O-N 3.45Å; W75-A79 WeakPolarHBondContact O-CB 3.23Å; W75-A79 PolarHBondContact O-N 2.95Å |
| 76 | R | 59.4 | Low | 54.8 | Low | 173 Ų | 173 | 92.3 Ų | 92.3 | 65% | 0.653 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -78.7 | -39.5 | 179.3 | -64.7 | 178.8 | 74.9 | 174.9 | 1.8 | 111.6 | S73 G80 | S73-R76 PolarHBondContact O-N 3.39Å; R76-G80 PolarHBondContact O-N 3.34Å; R76-G80 VanDerWaalsContact O-N 3.09Å |
| 77 | M | 56.7 | Low | 55.6 | Low | 90 Ų | 90 | 91 Ų | 91 | 44% | 0.443 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -72.1 | -41.3 | 173.1 | -73.1 | -69.7 | -77.7 | 0 | 0 | 111.4 | G80 L81 | M77-G80 PolarHBondContact O-N 3.34Å; M77-L81 WeakPolarHBondContact O-CB 3.3Å; M77-L81 PolarHBondContact O-N 2.98Å |
| 78 | G | 58.5 | Low | 56 | Low | 34 Ų | 34 | 88.5 Ų | 88.5 | 35% | 0.351 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.6 | -40.5 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | D74 L81 A82 | D74-G78 WeakPolarHBondContact O-CA 3.24Å; D74-G78 PolarHBondContact O-N 3.32Å; G78-L81 PolarHBondContact O-N 2.82Å; G78-A82 VanDerWaalsContact O-CB 3.3Å; G78-A82 WeakPolarHBondContact O-CB 3.41Å; G78-A82 PolarHBondContact O-N 3.35Å |
| 79 | A | 57.9 | Low | 56.3 | Low | 44 Ų | 44 | 88 Ų | 88 | 36% | 0.364 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.8 | -41.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | W75 L81 A82 L83 | W75-A79 WeakPolarHBondContact O-CB 3.23Å; W75-A79 PolarHBondContact O-N 2.95Å; A79-L81 VanDerWaalsContact C-N 3.34Å; A79-L81 PolarHBondContact O-N 3.23Å; A79-A82 PolarHBondContact O-N 3.34Å; A79-L83 WeakPolarHBondContact O-CB 3.3Å; A79-L83 VanDerWaalsContact O-CG 3.22Å; A79-L83 WeakPolarHBondContact O-CG 3.41Å; A79-L83 PolarHBondContact O-N 3.12Å |
| 80 | G | 64.2 | Low | 57.4 | Low | 41 Ų | 41 | 85.8 Ų | 85.8 | 42% | 0.423 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.6 | -42.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | R76 M77 C84 | R76-G80 PolarHBondContact O-N 3.34Å; R76-G80 VanDerWaalsContact O-N 3.09Å; M77-G80 PolarHBondContact O-N 3.34Å; G80-C84 WeakPolarHBondContact O-CB 3.32Å; G80-C84 PolarHBondContact O-N 3.08Å |
| 81 | L | 66 | Low | 58.3 | Low | 51 Ų | 51 | 82.5 Ų | 82.5 | 27% | 0.267 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -67.8 | -45.1 | 174.9 | -177.9 | 83.4 | 0 | 0 | 0 | 112.4 | L65 M77 G78 A79 L83 C84 L85 | L65-L81 HydrophobicContact CD1-CD1 3.98Å; L65-L81 HydrophobicContact CD1-CD2 3.24Å; L65-L81 HydrophobicContact CD1-CG 4.21Å; L65-L81 HydrophobicContact CD2-CD2 3.97Å; L65-L81 HydrophobicContact CG-CD2 4.16Å; M77-L81 WeakPolarHBondContact O-CB 3.3Å; M77-L81 PolarHBondContact O-N 2.98Å; G78-L81 PolarHBondContact O-N 2.82Å; A79-L81 VanDerWaalsContact C-N 3.34Å; A79-L81 PolarHBondContact O-N 3.23Å; L81-L83 VanDerWaalsContact C-N 3.27Å; L81-L83 PolarHBondContact O-N 3.34Å; L81-C84 CarbonylContact O-C 3.58Å; L81-C84 WeakPolarHBondContact O-CA 3.17Å; L81-C84 WeakPolarHBondContact O-CB 3.35Å; L81-C84 PolarHBondContact O-N 3.33Å; L81-L85 HydrophobicContact CD2-CD1 4.28Å; L81-L85 HydrophobicContact CG-CD1 4.14Å; L81-L85 HydrophobicContact CG-CG 4.4Å; L81-L85 WeakPolarHBondContact O-CG 3.43Å; L81-L85 PolarHBondContact O-N 3.12Å |
| 82 | A | 57.7 | Low | 58.9 | Low | 46 Ų | 46 | 77.4 Ų | 77.4 | 38% | 0.38 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -60.8 | -40.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | G78 A79 C84 L85 L86 | G78-A82 VanDerWaalsContact O-CB 3.3Å; G78-A82 WeakPolarHBondContact O-CB 3.41Å; G78-A82 PolarHBondContact O-N 3.35Å; A79-A82 PolarHBondContact O-N 3.34Å; A82-C84 VanDerWaalsContact C-N 3.34Å; A82-L85 PolarHBondContact O-N 2.79Å; A82-L86 VanDerWaalsContact O-CB 3.26Å; A82-L86 WeakPolarHBondContact O-CB 3.28Å; A82-L86 WeakPolarHBondContact O-CG 3.22Å; A82-L86 PolarHBondContact O-N 2.86Å |
| 83 | L | 56.1 | Low | 59.3 | Low | 120 Ų | 120 | 79.1 Ų | 79.1 | 63% | 0.628 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -66 | -36.1 | 173.6 | -70.2 | 170.9 | 0 | 0 | 0 | 111.9 | A79 L81 A87 | A79-L83 WeakPolarHBondContact O-CB 3.3Å; A79-L83 VanDerWaalsContact O-CG 3.22Å; A79-L83 WeakPolarHBondContact O-CG 3.41Å; A79-L83 PolarHBondContact O-N 3.12Å; L81-L83 VanDerWaalsContact C-N 3.27Å; L81-L83 PolarHBondContact O-N 3.34Å; L83-A87 WeakPolarHBondContact O-CB 3.19Å; L83-A87 PolarHBondContact O-N 3.49Å |
| 84 | C | 66.3 | Low | 59.6 | Low | 37 Ų | 37 | 80.8 Ų | 80.8 | 25% | 0.25 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -67 | -44.5 | 174.3 | -165.3 | 0 | 0 | 0 | 0 | 112.2 | G80 L81 A82 A87 L88 | G80-C84 WeakPolarHBondContact O-CB 3.32Å; G80-C84 PolarHBondContact O-N 3.08Å; L81-C84 CarbonylContact O-C 3.58Å; L81-C84 WeakPolarHBondContact O-CA 3.17Å; L81-C84 WeakPolarHBondContact O-CB 3.35Å; L81-C84 PolarHBondContact O-N 3.33Å; A82-C84 VanDerWaalsContact C-N 3.34Å; C84-A87 PolarHBondContact O-N 3.23Å; C84-L88 VanDerWaalsContact O-CG 3.31Å; C84-L88 WeakPolarHBondContact O-CG 3.38Å; C84-L88 PolarHBondContact O-N 3.41Å |
| 85 | L | 55.2 | Low | 59.6 | Low | 92 Ų | 92 | 80.3 Ų | 80.3 | 48% | 0.482 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -67.1 | -38.4 | 176.7 | -69.9 | 174.7 | 0 | 0 | 0 | 111.8 | L81 A82 L88 A89 | L81-L85 HydrophobicContact CD2-CD1 4.28Å; L81-L85 HydrophobicContact CG-CD1 4.14Å; L81-L85 HydrophobicContact CG-CG 4.4Å; L81-L85 WeakPolarHBondContact O-CG 3.43Å; L81-L85 PolarHBondContact O-N 3.12Å; A82-L85 PolarHBondContact O-N 2.79Å; L85-L88 PolarHBondContact O-N 3.48Å; L85-A89 WeakPolarHBondContact O-CB 3.36Å; L85-A89 PolarHBondContact O-N 3.38Å |
| 86 | L | 56.8 | Low | 59.9 | Low | 108 Ų | 108 | 75.7 Ų | 75.7 | 57% | 0.565 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -63.9 | -43.3 | 173.2 | -83.5 | 165.1 | 0 | 0 | 0 | 111.4 | A82 L88 A89 V90 | A82-L86 VanDerWaalsContact O-CB 3.26Å; A82-L86 WeakPolarHBondContact O-CB 3.28Å; A82-L86 WeakPolarHBondContact O-CG 3.22Å; A82-L86 PolarHBondContact O-N 2.86Å; L86-L88 PolarHBondContact O-N 2.87Å; L86-A89 PolarHBondContact O-N 3.48Å; L86-V90 WeakPolarHBondContact O-CB 3.49Å; L86-V90 VanDerWaalsContact O-CG2 3.25Å; L86-V90 WeakPolarHBondContact O-CG2 3.33Å; L86-V90 PolarHBondContact O-N 3.43Å |
| 87 | A | 67 | Low | 59.8 | Low | 50 Ų | 50 | 70.3 Ų | 70.3 | 41% | 0.413 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.2 | -45.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L83 C84 A89 V90 L91 | L83-A87 WeakPolarHBondContact O-CB 3.19Å; L83-A87 PolarHBondContact O-N 3.49Å; C84-A87 PolarHBondContact O-N 3.23Å; A87-A89 PolarHBondContact O-N 2.86Å; A87-V90 PolarHBondContact O-N 2.88Å; A87-L91 WeakPolarHBondContact O-CD1 3.32Å; A87-L91 WeakPolarHBondContact O-CG 3.36Å; A87-L91 PolarHBondContact O-N 3.31Å |
| 88 | L | 62.5 | Low | 59.6 | Low | 32 Ų | 32 | 69 Ų | 69 | 17% | 0.168 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -61.9 | -42 | 175.8 | -70.7 | 168.4 | 0 | 0 | 0 | 112.5 | I54 C84 L85 L86 L91 L92 | I54-L88 HydrophobicContact CG1-CD2 4.18Å; C84-L88 VanDerWaalsContact O-CG 3.31Å; C84-L88 WeakPolarHBondContact O-CG 3.38Å; C84-L88 PolarHBondContact O-N 3.41Å; L85-L88 PolarHBondContact O-N 3.48Å; L86-L88 PolarHBondContact O-N 2.87Å; L88-L91 PolarHBondContact O-N 3.37Å; L88-L92 WeakPolarHBondContact O-CB 3.39Å; L88-L92 PolarHBondContact O-N 3.31Å |
| 89 | A | 55.3 | Low | 59.3 | Low | 56 Ų | 56 | 70.2 Ų | 70.2 | 46% | 0.463 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -67 | -38.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L85 L86 A87 L92 K93 | L85-A89 WeakPolarHBondContact O-CB 3.36Å; L85-A89 PolarHBondContact O-N 3.38Å; L86-A89 PolarHBondContact O-N 3.48Å; A87-A89 PolarHBondContact O-N 2.86Å; A89-L92 PolarHBondContact O-N 3.45Å; A89-K93 WeakPolarHBondContact O-CB 3.43Å; A89-K93 PolarHBondContact O-N 3.27Å |
| 90 | V | 67 | Low | 58.8 | Low | 74 Ų | 74 | 72.9 Ų | 72.9 | 45% | 0.448 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.3 | -42.9 | 174.3 | 170.6 | 0 | 0 | 0 | 0 | 110.2 | L86 A87 K93 Q94 | L86-V90 WeakPolarHBondContact O-CB 3.49Å; L86-V90 VanDerWaalsContact O-CG2 3.25Å; L86-V90 WeakPolarHBondContact O-CG2 3.33Å; L86-V90 PolarHBondContact O-N 3.43Å; A87-V90 PolarHBondContact O-N 2.88Å; V90-K93 PolarHBondContact O-N 3.39Å; V90-Q94 HydrophobicContact CG1-CG 4.47Å; V90-Q94 WeakPolarHBondContact O-CG 3.17Å; V90-Q94 PolarHBondContact O-N 2.78Å |
| 91 | L | 61.2 | Low | 57.9 | Low | 31 Ų | 31 | 76.6 Ų | 76.6 | 16% | 0.162 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -62.2 | -45.4 | 176.1 | -69.1 | 163.7 | 0 | 0 | 0 | 111.8 | A87 L88 K93 Q94 L95 V125 T129 | A87-L91 WeakPolarHBondContact O-CD1 3.32Å; A87-L91 WeakPolarHBondContact O-CG 3.36Å; A87-L91 PolarHBondContact O-N 3.31Å; L88-L91 PolarHBondContact O-N 3.37Å; L91-K93 VanDerWaalsContact C-N 3.29Å; L91-K93 PolarHBondContact O-N 2.86Å; L91-Q94 PolarHBondContact O-N 2.89Å; L91-L95 VanDerWaalsContact O-CG 3.3Å; L91-L95 WeakPolarHBondContact O-CG 3.27Å; L91-L95 PolarHBondContact O-N 3.35Å; L91-V125 HydrophobicContact CD2-CG1 3.36Å; L91-T129 HydrophobicContact CD1-CG2 3.37Å; L91-T129 WeakPolarHBondContact CD1-OG1 3.26Å; L91-T129 VanDerWaalsContact CD2-OG1 3.27Å; L91-T129 WeakPolarHBondContact CD2-OG1 3.25Å |
| 92 | L | 60.9 | Low | 57 | Low | 81 Ų | 81 | 79.1 Ų | 79.1 | 42% | 0.424 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -59.6 | -41.5 | 176.7 | -143.7 | 77.2 | 0 | 0 | 0 | 111.6 | I54 L88 A89 L95 L96 | I54-L92 HydrophobicContact CD1-CD1 3.75Å; L88-L92 WeakPolarHBondContact O-CB 3.39Å; L88-L92 PolarHBondContact O-N 3.31Å; A89-L92 PolarHBondContact O-N 3.45Å; L92-L95 PolarHBondContact O-N 3.03Å; L92-L96 WeakPolarHBondContact O-CB 3.47Å; L92-L96 WeakPolarHBondContact O-CD1 3.48Å; L92-L96 VanDerWaalsContact O-CG 3.26Å; L92-L96 WeakPolarHBondContact O-CG 3.4Å; L92-L96 PolarHBondContact O-N 3.13Å |
| 93 | K | 56 | Low | 56.2 | Low | 156 Ų | 156 | 84.9 Ų | 84.9 | 68% | 0.678 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -67.6 | -38.7 | 177.5 | -165.1 | -170.7 | 179 | 82.2 | 0 | 111.9 | A89 V90 L91 S97 | A89-K93 WeakPolarHBondContact O-CB 3.43Å; A89-K93 PolarHBondContact O-N 3.27Å; V90-K93 PolarHBondContact O-N 3.39Å; L91-K93 VanDerWaalsContact C-N 3.29Å; L91-K93 PolarHBondContact O-N 2.86Å; K93-S97 VanDerWaalsContact O-CB 3.28Å; K93-S97 WeakPolarHBondContact O-CB 3.18Å; K93-S97 PolarHBondContact O-N 2.9Å |
| 94 | Q | 59.6 | Low | 55.7 | Low | 108 Ų | 108 | 84.7 Ų | 84.7 | 51% | 0.505 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -68 | -39.9 | 177 | -72.3 | -157.9 | 28.5 | 0 | 0 | 111.8 | V90 L91 S97 S98 | V90-Q94 HydrophobicContact CG1-CG 4.47Å; V90-Q94 WeakPolarHBondContact O-CG 3.17Å; V90-Q94 PolarHBondContact O-N 2.78Å; L91-Q94 PolarHBondContact O-N 2.89Å; Q94-S97 PolarHBondContact O-N 3.39Å; Q94-S98 VanDerWaalsContact O-CB 3.23Å; Q94-S98 WeakPolarHBondContact O-CB 3.36Å; Q94-S98 PolarHBondContact O-N 2.99Å |
| 95 | L | 56.9 | Low | 54.5 | Low | 60 Ų | 60 | 86 Ų | 86 | 31% | 0.314 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.2 | -43.7 | 175 | -68.5 | 172 | 0 | 0 | 0 | 111.9 | L91 L92 S98 A99 D122 | L91-L95 VanDerWaalsContact O-CG 3.3Å; L91-L95 WeakPolarHBondContact O-CG 3.27Å; L91-L95 PolarHBondContact O-N 3.35Å; L92-L95 PolarHBondContact O-N 3.03Å; L95-S98 PolarHBondContact O-N 2.94Å; L95-A99 WeakPolarHBondContact O-CB 3.19Å; L95-A99 PolarHBondContact O-N 3.31Å; L95-D122 WeakPolarHBondContact CD2-OD1 3.39Å |
| 96 | L | 55.6 | Low | 53.9 | Low | 106 Ų | 106 | 83.6 Ų | 83.6 | 56% | 0.555 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -66.5 | -40.6 | 176.4 | -71.9 | 165.8 | 0 | 0 | 0 | 112.1 | L92 S98 V100 | L92-L96 WeakPolarHBondContact O-CB 3.47Å; L92-L96 WeakPolarHBondContact O-CD1 3.48Å; L92-L96 VanDerWaalsContact O-CG 3.26Å; L92-L96 WeakPolarHBondContact O-CG 3.4Å; L92-L96 PolarHBondContact O-N 3.13Å; L96-S98 VanDerWaalsContact C-N 3.34Å; L96-V100 WeakPolarHBondContact O-CB 3.35Å; L96-V100 VanDerWaalsContact O-CG2 3.25Å; L96-V100 WeakPolarHBondContact O-CG2 3.23Å; L96-V100 PolarHBondContact O-N 3.42Å |
| 97 | S | 58.8 | Low | 53.4 | Low | 59 Ų | 59 | 88 Ų | 88 | 41% | 0.413 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67.6 | -35.9 | 176.3 | -171.1 | 0 | 0 | 0 | 0 | 111.8 | K93 Q94 Q101 | K93-S97 VanDerWaalsContact O-CB 3.28Å; K93-S97 WeakPolarHBondContact O-CB 3.18Å; K93-S97 PolarHBondContact O-N 2.9Å; Q94-S97 PolarHBondContact O-N 3.39Å; S97-Q101 VanDerWaalsContact O-CB 3.3Å; S97-Q101 WeakPolarHBondContact O-CB 3.36Å; S97-Q101 WeakPolarHBondContact O-CG 3.29Å; S97-Q101 PolarHBondContact O-N 3.31Å |
| 98 | S | 52.9 | Low | 52.3 | Low | 63 Ų | 63 | 89.1 Ų | 89.1 | 44% | 0.441 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -70.4 | -43.4 | 176.1 | -174.8 | 0 | 0 | 0 | 0 | 111.5 | Q94 L95 L96 V100 Q101 D102 | Q94-S98 VanDerWaalsContact O-CB 3.23Å; Q94-S98 WeakPolarHBondContact O-CB 3.36Å; Q94-S98 PolarHBondContact O-N 2.99Å; L95-S98 PolarHBondContact O-N 2.94Å; L96-S98 VanDerWaalsContact C-N 3.34Å; S98-V100 VanDerWaalsContact C-N 3.35Å; S98-V100 PolarHBondContact O-N 3.37Å; S98-Q101 PolarHBondContact O-N 3.32Å; S98-D102 WeakPolarHBondContact O-CB 3.48Å; S98-D102 PolarHBondContact O-N 3.45Å |
| 99 | A | 50.7 | Low | 51.5 | Low | 59 Ų | 59 | 96.1 Ų | 96.1 | 49% | 0.488 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.6 | -39.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L95 M103 | L95-A99 WeakPolarHBondContact O-CB 3.19Å; L95-A99 PolarHBondContact O-N 3.31Å; A99-M103 PolarHBondContact O-N 2.99Å; A99-M103 VanDerWaalsContact O-N 3.15Å |
| 100 | V | 48.8 | Very low | 51.1 | Low | 101 Ų | 101 | 105.3 Ų | 105.3 | 61% | 0.612 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -70.7 | -34.2 | 175.5 | 171 | 0 | 0 | 0 | 0 | 111.7 | L96 S98 N104 | L96-V100 WeakPolarHBondContact O-CB 3.35Å; L96-V100 VanDerWaalsContact O-CG2 3.25Å; L96-V100 WeakPolarHBondContact O-CG2 3.23Å; L96-V100 PolarHBondContact O-N 3.42Å; S98-V100 VanDerWaalsContact C-N 3.35Å; S98-V100 PolarHBondContact O-N 3.37Å; V100-N104 PolarHBondContact O-N 3.21Å |
| 101 | Q | 44.7 | Very low | 49.9 | Very low | 118 Ų | 118 | 109.9 Ų | 109.9 | 55% | 0.551 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -74.6 | -33.3 | 175.6 | -76.5 | 172.5 | -1.1 | 0 | 0 | 112.6 | S97 S98 M103 N104 C105 | S97-Q101 VanDerWaalsContact O-CB 3.3Å; S97-Q101 WeakPolarHBondContact O-CB 3.36Å; S97-Q101 WeakPolarHBondContact O-CG 3.29Å; S97-Q101 PolarHBondContact O-N 3.31Å; S98-Q101 PolarHBondContact O-N 3.32Å; Q101-M103 VanDerWaalsContact C-N 3.31Å; Q101-N104 PolarHBondContact O-N 2.9Å; Q101-N104 VanDerWaalsContact O-N 3.09Å; Q101-C105 PolarHBondContact O-N 3.4Å; Q101-C105 PolarHBondContact O-SG 3.04Å |
| 102 | D | 47.4 | Very low | 49 | Very low | 104 Ų | 104 | 113.7 Ų | 113.7 | 56% | 0.556 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.9 | -36.8 | 174.5 | -165.7 | 41 | 0 | 0 | 0 | 110.9 | S98 N104 C105 V106 | S98-D102 WeakPolarHBondContact O-CB 3.48Å; S98-D102 PolarHBondContact O-N 3.45Å; D102-N104 PolarHBondContact O-N 2.75Å; D102-C105 PolarHBondContact O-N 3.15Å; D102-V106 PolarHBondContact O-N 3.21Å |
| 103 | M | 40.9 | Very low | 48.3 | Very low | 168 Ų | 168 | 117.4 Ų | 117.4 | 83% | 0.828 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -62.3 | -27.1 | 171.2 | -150 | 110.8 | 168.4 | 0 | 0 | 113.1 | A99 Q101 | A99-M103 PolarHBondContact O-N 2.99Å; A99-M103 VanDerWaalsContact O-N 3.15Å; Q101-M103 VanDerWaalsContact C-N 3.31Å |
| 104 | N | 44.3 | Very low | 47.6 | Very low | 116 Ų | 116 | 116 Ų | 116 | 62% | 0.62 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -95.2 | -21.8 | -178.6 | -123.2 | -20.7 | 0 | 0 | 0 | 113.3 | V100 Q101 D102 | V100-N104 PolarHBondContact O-N 3.21Å; Q101-N104 PolarHBondContact O-N 2.9Å; Q101-N104 VanDerWaalsContact O-N 3.09Å; D102-N104 PolarHBondContact O-N 2.75Å |
| 105 | C | 42.2 | Very low | 46.7 | Very low | 64 Ų | 64 | 115.6 Ų | 115.6 | 43% | 0.432 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -79.8 | -24.6 | 179.1 | -78.6 | 0 | 0 | 0 | 0 | 113.8 | Q101 D102 R107 S108 | Q101-C105 PolarHBondContact O-N 3.4Å; Q101-C105 PolarHBondContact O-SG 3.04Å; D102-C105 PolarHBondContact O-N 3.15Å; C105-R107 PolarHBondContact O-N 3Å; C105-R107 VanDerWaalsContact O-N 3.12Å; C105-S108 PolarHBondContact O-N 3.07Å; C105-S108 VanDerWaalsContact O-N 3.08Å |
| 106 | V | 43 | Very low | 46 | Very low | 41 Ų | 41 | 121.1 Ų | 121.1 | 25% | 0.248 | 60% | 0.601 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -59.7 | -21.8 | 174 | 168.4 | 0 | 0 | 0 | 0 | 112.4 | W35 D102 S108 | W35-V106 HydrophobicContact CH2-CG2 4.35Å; W35-V106 HydrophobicContact CZ3-CG2 4.33Å; D102-V106 PolarHBondContact O-N 3.21Å; V106-S108 VanDerWaalsContact C-N 3.29Å; V106-S108 PolarHBondContact O-N 2.99Å |
| 107 | R | 45.2 | Very low | 45.5 | Very low | 200 Ų | 200 | 120 Ų | 120 | 76% | 0.755 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | -14.5 | 176 | -173.6 | 160.1 | -87.9 | 172.2 | -5.6 | 114.2 | C105 | C105-R107 PolarHBondContact O-N 3Å; C105-R107 VanDerWaalsContact O-N 3.12Å |
| 108 | S | 45.1 | Very low | 44.7 | Very low | 74 Ų | 74 | 118.9 Ų | 118.9 | 52% | 0.517 | 60% | 0.6 | S | S | . | * | trans | -127.6 | 72 | 177.3 | 88 | 0 | 0 | 0 | 0 | 113.5 | C105 V106 R110 | C105-S108 PolarHBondContact O-N 3.07Å; C105-S108 VanDerWaalsContact O-N 3.08Å; V106-S108 VanDerWaalsContact C-N 3.29Å; V106-S108 PolarHBondContact O-N 2.99Å; S108-R110 PolarHBondContact O-N 2.82Å | ||
| 109 | R | 46.1 | Very low | 44.6 | Very low | 180 Ų | 180 | 118.8 Ų | 118.8 | 68% | 0.679 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.8 | 0.8 | 174.5 | -103.4 | 178.3 | 172 | -178.8 | -1.1 | 116.9 | I112 | R109-I112 HydrophobicContact CB-CD1 4.37Å; R109-I112 HydrophobicContact CG-CD1 3.93Å |
| 110 | R | 45.8 | Very low | 44.7 | Very low | 248 Ų | 248 | 120.9 Ų | 120.9 | 94% | 0.936 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | 3.1 | -174.2 | -139.7 | 174.8 | -159.3 | -179.4 | 5.1 | 115 | S108 | S108-R110 PolarHBondContact O-N 2.82Š|
| 111 | R | 42.4 | Very low | 44.9 | Very low | 171 Ų | 171 | 119.5 Ų | 119.5 | 65% | 0.645 | 61% | 0.606 | S | S | * | * | trans | -128.2 | 29.2 | -177.4 | -115.6 | -164.6 | -79.9 | -125.5 | 5.2 | 114.5 | D113 I114 | R111-D113 VanDerWaalsContact C-N 3.31Å; R111-D113 PolarHBondContact O-N 2.96Å; R111-I114 HydrophobicContact CG-CD1 4.42Å; R111-I114 PolarHBondContact O-N 3.18Å | ||
| 112 | I | 42.7 | Very low | 45.6 | Very low | 110 Ų | 110 | 116.8 Ų | 116.8 | 56% | 0.564 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -16.9 | -171.8 | -67.5 | 174.4 | 0 | 0 | 0 | 113.9 | R109 I114 | R109-I112 HydrophobicContact CB-CD1 4.37Å; R109-I112 HydrophobicContact CG-CD1 3.93Å; I112-I114 VanDerWaalsContact C-N 3.33Å; I112-I114 PolarHBondContact O-N 2.79Å |
| 113 | D | 44.8 | Very low | 46.1 | Very low | 160 Ų | 160 | 113.8 Ų | 113.8 | 86% | 0.856 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -9.3 | 175.6 | -80.8 | -34.6 | 0 | 0 | 0 | 114.6 | R111 | R111-D113 VanDerWaalsContact C-N 3.31Å; R111-D113 PolarHBondContact O-N 2.96Å |
| 114 | I | 42.5 | Very low | 46.8 | Very low | 126 Ų | 126 | 110.1 Ų | 110.1 | 65% | 0.646 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | -16 | 177.9 | -59.1 | 175.8 | 0 | 0 | 0 | 111.8 | R111 I112 S117 | R111-I114 HydrophobicContact CG-CD1 4.42Å; R111-I114 PolarHBondContact O-N 3.18Å; I112-I114 VanDerWaalsContact C-N 3.33Å; I112-I114 PolarHBondContact O-N 2.79Å; I114-S117 PolarHBondContact O-OG 3.37Å |
| 115 | L | 41 | Very low | 47.7 | Very low | 100 Ų | 100 | 106.3 Ų | 106.3 | 52% | 0.524 | 54% | 0.544 | S | S | . | . | G | 310 helix | trans | -95.4 | 4.1 | -179.9 | -84.7 | 120.3 | 0 | 0 | 0 | 115 | S117 G118 | L115-S117 PolarHBondContact O-N 2.95Å; L115-G118 PolarHBondContact O-N 3.25Å |
| 116 | K | 41.3 | Very low | 48.8 | Very low | 175 Ų | 175 | 106.3 Ų | 106.3 | 76% | 0.761 | 54% | 0.542 | S | S | * | . | G | 310 helix | trans | -61.1 | -11.6 | 167.9 | -163.2 | 172.5 | 179.8 | -179.9 | 0 | 112.7 | ||
| 117 | S | 44 | Very low | 49.7 | Very low | 84 Ų | 84 | 107.4 Ų | 107.4 | 59% | 0.587 | 55% | 0.546 | S | S | * | . | G | 310 helix | trans | -90.2 | -6 | 170.9 | 68.7 | 0 | 0 | 0 | 0 | 114.8 | I114 L115 S121 | I114-S117 PolarHBondContact O-OG 3.37Å; L115-S117 PolarHBondContact O-N 2.95Å; S117-S121 PolarHBondContact O-N 3.09Å |
| 118 | G | 43.4 | Very low | 50.4 | Low | 35 Ų | 35 | 102.2 Ų | 102.2 | 36% | 0.361 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -73.2 | -43 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | L115 L120 S121 | L115-G118 PolarHBondContact O-N 3.25Å; G118-L120 PolarHBondContact O-N 3.42Å; G118-S121 VanDerWaalsContact O-CB 3.3Å; G118-S121 WeakPolarHBondContact O-CB 3.25Å; G118-S121 PolarHBondContact O-N 3.47Å; G118-S121 VanDerWaalsContact O-N 3.12Å |
| 119 | G | 49.5 | Very low | 51.5 | Low | 61 Ų | 61 | 100.3 Ų | 100.3 | 63% | 0.629 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -69 | -22.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | S121 L123 | G119-S121 VanDerWaalsContact C-N 3.35Å; G119-L123 PolarHBondContact O-N 2.85Å |
| 120 | L | 52.8 | Low | 52.2 | Low | 103 Ų | 103 | 92 Ų | 92 | 54% | 0.539 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -74.6 | -29.8 | 174 | -143.7 | 148.1 | 0 | 0 | 0 | 110.8 | G118 L124 | G118-L120 PolarHBondContact O-N 3.42Å; L120-L124 HydrophobicContact CD2-CD1 3.76Å; L120-L124 VanDerWaalsContact O-CB 3.3Å; L120-L124 WeakPolarHBondContact O-CB 3.32Å; L120-L124 PolarHBondContact O-N 3.37Å |
| 121 | S | 53.6 | Low | 52.8 | Low | 71 Ų | 71 | 84.6 Ų | 84.6 | 50% | 0.497 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.8 | -45.8 | 176.8 | -170.8 | 0 | 0 | 0 | 0 | 112.1 | S117 G118 G119 L124 V125 | S117-S121 PolarHBondContact O-N 3.09Å; G118-S121 VanDerWaalsContact O-CB 3.3Å; G118-S121 WeakPolarHBondContact O-CB 3.25Å; G118-S121 PolarHBondContact O-N 3.47Å; G118-S121 VanDerWaalsContact O-N 3.12Å; G119-S121 VanDerWaalsContact C-N 3.35Å; S121-L124 WeakPolarHBondContact O-CB 3.14Å; S121-L124 PolarHBondContact O-N 2.84Å; S121-V125 VanDerWaalsContact O-CG2 3.27Å; S121-V125 WeakPolarHBondContact O-CG2 3.27Å; S121-V125 PolarHBondContact O-N 3.38Å |
| 122 | D | 59.4 | Low | 53.7 | Low | 62 Ų | 62 | 80.2 Ų | 80.2 | 33% | 0.332 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.9 | -42.7 | 178.1 | -169.9 | 44.9 | 0 | 0 | 0 | 111.3 | L95 L124 V125 V126 | L95-D122 WeakPolarHBondContact CD2-OD1 3.39Å; D122-L124 VanDerWaalsContact C-N 3.33Å; D122-L124 PolarHBondContact O-N 3.12Å; D122-V125 PolarHBondContact O-N 3.19Å; D122-V126 WeakPolarHBondContact O-CG2 3.45Å; D122-V126 PolarHBondContact O-N 2.91Å |
| 123 | L | 57.4 | Low | 54.6 | Low | 40 Ų | 40 | 77.4 Ų | 77.4 | 21% | 0.209 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -59.3 | -41.8 | 172 | -167.7 | 78.6 | 0 | 0 | 0 | 112.3 | G119 V125 V126 L127 V177 Y180 T181 | G119-L123 PolarHBondContact O-N 2.85Å; L123-V125 VanDerWaalsContact C-N 3.34Å; L123-V126 PolarHBondContact O-N 3.38Å; L123-L127 VanDerWaalsContact O-CB 3.31Å; L123-L127 WeakPolarHBondContact O-CB 3.36Å; L123-L127 PolarHBondContact O-N 2.82Å; L123-V177 HydrophobicContact CD1-CG1 3.61Å; L123-V177 HydrophobicContact CG-CG1 4.02Å; L123-Y180 HydrophobicContact CD1-CD1 4.3Å; L123-T181 HydrophobicContact CD2-CG2 3.89Å; L123-T181 WeakPolarHBondContact CD2-OG1 3.34Å |
| 124 | L | 57.3 | Low | 55.4 | Low | 92 Ų | 92 | 71.6 Ų | 71.6 | 48% | 0.482 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.5 | -41.9 | 177.5 | -139 | 101 | 0 | 0 | 0 | 110.8 | L120 S121 D122 L127 I128 | L120-L124 HydrophobicContact CD2-CD1 3.76Å; L120-L124 VanDerWaalsContact O-CB 3.3Å; L120-L124 WeakPolarHBondContact O-CB 3.32Å; L120-L124 PolarHBondContact O-N 3.37Å; S121-L124 WeakPolarHBondContact O-CB 3.14Å; S121-L124 PolarHBondContact O-N 2.84Å; D122-L124 VanDerWaalsContact C-N 3.33Å; D122-L124 PolarHBondContact O-N 3.12Å; L124-L127 PolarHBondContact O-N 3.38Å; L124-I128 HydrophobicContact CD2-CD1 3.77Å; L124-I128 HydrophobicContact CG-CD1 4.27Å; L124-I128 WeakPolarHBondContact O-CB 3.46Å; L124-I128 WeakPolarHBondContact O-CD1 3.3Å; L124-I128 WeakPolarHBondContact O-CG1 3.35Å; L124-I128 PolarHBondContact O-N 2.88Å |
| 125 | V | 62.5 | Low | 56.3 | Low | 36 Ų | 36 | 69.6 Ų | 69.6 | 22% | 0.218 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -64.8 | -42.7 | 179.8 | 169.9 | 0 | 0 | 0 | 0 | 110.8 | L91 S121 D122 L123 T129 | L91-V125 HydrophobicContact CD2-CG1 3.36Å; S121-V125 VanDerWaalsContact O-CG2 3.27Å; S121-V125 WeakPolarHBondContact O-CG2 3.27Å; S121-V125 PolarHBondContact O-N 3.38Å; D122-V125 PolarHBondContact O-N 3.19Å; L123-V125 VanDerWaalsContact C-N 3.34Å; V125-T129 WeakPolarHBondContact O-CB 3.45Å; V125-T129 PolarHBondContact O-N 2.94Å; V125-T129 PolarHBondContact O-OG1 3.34Å |
| 126 | V | 65.1 | Low | 57.3 | Low | 64 Ų | 64 | 67.8 Ų | 67.8 | 39% | 0.388 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -65.2 | -41.2 | 174.7 | 178.7 | 0 | 0 | 0 | 0 | 111.2 | D122 L123 T129 G130 V177 | D122-V126 WeakPolarHBondContact O-CG2 3.45Å; D122-V126 PolarHBondContact O-N 2.91Å; L123-V126 PolarHBondContact O-N 3.38Å; V126-T129 PolarHBondContact O-N 2.83Å; V126-G130 PolarHBondContact O-N 3.49Å; V126-V177 HydrophobicContact CG1-CG2 3.73Å |
| 127 | L | 60.9 | Low | 58.3 | Low | 64 Ų | 64 | 59.4 Ų | 59.4 | 34% | 0.335 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -67 | -44.6 | 179.8 | -154.4 | 160.8 | 0 | 0 | 0 | 111.5 | L123 L124 T129 G130 L131 V177 | L123-L127 VanDerWaalsContact O-CB 3.31Å; L123-L127 WeakPolarHBondContact O-CB 3.36Å; L123-L127 PolarHBondContact O-N 2.82Å; L124-L127 PolarHBondContact O-N 3.38Å; L127-T129 VanDerWaalsContact C-N 3.31Å; L127-T129 PolarHBondContact O-N 2.89Å; L127-G130 PolarHBondContact O-N 3.42Å; L127-L131 WeakPolarHBondContact O-CB 3.23Å; L127-L131 PolarHBondContact O-N 2.84Å; L127-V177 HydrophobicContact CB-CG1 4.37Å; L127-V177 HydrophobicContact CD1-CG1 4.14Å; L127-V177 HydrophobicContact CG-CG1 4.37Å |
| 128 | I | 61.9 | Low | 59.1 | Low | 90 Ų | 90 | 57.2 Ų | 57.2 | 46% | 0.462 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60.5 | -43.2 | 175 | -70.8 | 166.1 | 0 | 0 | 0 | 110.2 | L124 L131 C132 | L124-I128 HydrophobicContact CD2-CD1 3.77Å; L124-I128 HydrophobicContact CG-CD1 4.27Å; L124-I128 WeakPolarHBondContact O-CB 3.46Å; L124-I128 WeakPolarHBondContact O-CD1 3.3Å; L124-I128 WeakPolarHBondContact O-CG1 3.35Å; L124-I128 PolarHBondContact O-N 2.88Å; I128-L131 PolarHBondContact O-N 2.87Å; I128-C132 WeakPolarHBondContact O-CB 3.44Å; I128-C132 PolarHBondContact O-N 3.45Å; I128-C132 PolarHBondContact O-SG 2.86Å |
| 129 | T | 66.2 | Low | 60 | Low | 34 Ų | 34 | 59.2 Ų | 59.2 | 21% | 0.209 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.3 | -48 | 177 | -58.6 | 0 | 0 | 0 | 0 | 111.7 | L91 V125 V126 L127 L131 C132 L133 | L91-T129 HydrophobicContact CD1-CG2 3.37Å; L91-T129 WeakPolarHBondContact CD1-OG1 3.26Å; L91-T129 VanDerWaalsContact CD2-OG1 3.27Å; L91-T129 WeakPolarHBondContact CD2-OG1 3.25Å; V125-T129 WeakPolarHBondContact O-CB 3.45Å; V125-T129 PolarHBondContact O-N 2.94Å; V125-T129 PolarHBondContact O-OG1 3.34Å; V126-T129 PolarHBondContact O-N 2.83Å; L127-T129 VanDerWaalsContact C-N 3.31Å; L127-T129 PolarHBondContact O-N 2.89Å; T129-L131 VanDerWaalsContact C-N 3.28Å; T129-L131 PolarHBondContact O-N 3.4Å; T129-C132 PolarHBondContact O-N 2.97Å; T129-L133 HydrophobicContact CG2-CD1 4.37Å; T129-L133 WeakPolarHBondContact O-CG 3.27Å; T129-L133 PolarHBondContact O-N 2.96Å |
| 130 | G | 61.3 | Low | 60.5 | Low | 5 Ų | 5 | 58.6 Ų | 58.6 | 5% | 0.052 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.1 | -40.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V126 L127 L133 V134 | V126-G130 PolarHBondContact O-N 3.49Å; L127-G130 PolarHBondContact O-N 3.42Å; G130-L133 PolarHBondContact O-N 3.4Å; G130-V134 WeakPolarHBondContact O-CG2 3.41Å; G130-V134 PolarHBondContact O-N 2.87Å |
| 131 | L | 58.1 | Low | 61 | Low | 93 Ų | 93 | 55.3 Ų | 55.3 | 49% | 0.487 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.5 | -43.3 | 177.2 | -152.8 | 78 | 0 | 0 | 0 | 111.9 | L127 I128 T129 L133 V134 V135 | L127-L131 WeakPolarHBondContact O-CB 3.23Å; L127-L131 PolarHBondContact O-N 2.84Å; I128-L131 PolarHBondContact O-N 2.87Å; T129-L131 VanDerWaalsContact C-N 3.28Å; T129-L131 PolarHBondContact O-N 3.4Å; L131-L133 VanDerWaalsContact C-N 3.3Å; L131-L133 PolarHBondContact O-N 3.38Å; L131-V134 PolarHBondContact O-N 3.36Å; L131-V135 WeakPolarHBondContact O-CB 3.28Å; L131-V135 VanDerWaalsContact O-CG2 3.28Å; L131-V135 WeakPolarHBondContact O-CG2 3.49Å; L131-V135 PolarHBondContact O-N 2.98Å |
| 132 | C | 61.5 | Low | 61.2 | Low | 80 Ų | 80 | 57.5 Ų | 57.5 | 54% | 0.541 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.8 | -40.4 | 174.7 | -72.9 | 0 | 0 | 0 | 0 | 111.9 | I128 T129 C136 | I128-C132 WeakPolarHBondContact O-CB 3.44Å; I128-C132 PolarHBondContact O-N 3.45Å; I128-C132 PolarHBondContact O-SG 2.86Å; T129-C132 PolarHBondContact O-N 2.97Å; C132-C136 VanDerWaalsContact O-CB 3.25Å; C132-C136 WeakPolarHBondContact O-CB 3.45Å; C132-C136 PolarHBondContact O-N 3.42Å |
| 133 | L | 61.6 | Low | 61.3 | Low | 51 Ų | 51 | 57.8 Ų | 57.8 | 27% | 0.267 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.1 | -41.8 | 175.7 | -70.5 | 172.1 | 0 | 0 | 0 | 112.2 | T129 G130 L131 C136 G137 | T129-L133 HydrophobicContact CG2-CD1 4.37Å; T129-L133 WeakPolarHBondContact O-CG 3.27Å; T129-L133 PolarHBondContact O-N 2.96Å; G130-L133 PolarHBondContact O-N 3.4Å; L131-L133 VanDerWaalsContact C-N 3.3Å; L131-L133 PolarHBondContact O-N 3.38Å; L133-C136 PolarHBondContact O-N 3.31Å; L133-G137 PolarHBondContact O-N 2.91Å |
| 134 | V | 61.2 | Low | 61.4 | Low | 38 Ų | 38 | 56.7 Ų | 56.7 | 23% | 0.23 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.9 | -45.1 | 175.6 | 171.5 | 0 | 0 | 0 | 0 | 111.3 | G130 L131 C136 G137 A138 | G130-V134 WeakPolarHBondContact O-CG2 3.41Å; G130-V134 PolarHBondContact O-N 2.87Å; L131-V134 PolarHBondContact O-N 3.36Å; V134-C136 VanDerWaalsContact C-N 3.34Å; V134-G137 PolarHBondContact O-N 3.25Å; V134-A138 VanDerWaalsContact O-CB 3.3Å; V134-A138 WeakPolarHBondContact O-CB 3.35Å; V134-A138 PolarHBondContact O-N 3.01Å |
| 135 | V | 62.4 | Low | 61.7 | Low | 84 Ų | 84 | 57 Ų | 57 | 51% | 0.509 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.3 | -42.4 | 177.7 | 172.4 | 0 | 0 | 0 | 0 | 110.4 | L131 A138 V139 | L131-V135 WeakPolarHBondContact O-CB 3.28Å; L131-V135 VanDerWaalsContact O-CG2 3.28Å; L131-V135 WeakPolarHBondContact O-CG2 3.49Å; L131-V135 PolarHBondContact O-N 2.98Å; V135-A138 PolarHBondContact O-N 3.26Å; V135-V139 HydrophobicContact CG1-CG2 4.47Å; V135-V139 VanDerWaalsContact O-CG2 3.26Å; V135-V139 WeakPolarHBondContact O-CG2 3.3Å; V135-V139 PolarHBondContact O-N 2.9Å |
| 136 | C | 62.8 | Low | 61.6 | Low | 61 Ų | 61 | 61.2 Ų | 61.2 | 41% | 0.412 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.9 | -48.2 | 175.3 | -171.1 | 0 | 0 | 0 | 0 | 111.8 | C132 L133 V134 A138 V139 L140 L166 | C132-C136 VanDerWaalsContact O-CB 3.25Å; C132-C136 WeakPolarHBondContact O-CB 3.45Å; C132-C136 PolarHBondContact O-N 3.42Å; L133-C136 PolarHBondContact O-N 3.31Å; V134-C136 VanDerWaalsContact C-N 3.34Å; C136-A138 PolarHBondContact O-N 3Å; C136-V139 PolarHBondContact O-N 2.88Å; C136-L140 WeakPolarHBondContact O-CG 3.23Å; C136-L140 PolarHBondContact O-N 3.03Å; C136-L166 HydrophobicContact CB-CD2 4.4Å |
| 137 | G | 61.4 | Low | 61 | Low | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.2 | -41.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | L133 V134 L140 L141 | L133-G137 PolarHBondContact O-N 2.91Å; V134-G137 PolarHBondContact O-N 3.25Å; G137-L140 PolarHBondContact O-N 3.38Å; G137-L141 WeakPolarHBondContact O-CB 3.16Å; G137-L141 PolarHBondContact O-N 3.42Å |
| 138 | A | 61.3 | Low | 60.4 | Low | 37 Ų | 37 | 69.5 Ų | 69.5 | 31% | 0.306 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.9 | -39.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | V134 V135 C136 L141 K142 L167 | V134-A138 VanDerWaalsContact O-CB 3.3Å; V134-A138 WeakPolarHBondContact O-CB 3.35Å; V134-A138 PolarHBondContact O-N 3.01Å; V135-A138 PolarHBondContact O-N 3.26Å; C136-A138 PolarHBondContact O-N 3Å; A138-L141 PolarHBondContact O-N 3.48Å; A138-K142 WeakPolarHBondContact O-CB 3.25Å; A138-K142 WeakPolarHBondContact O-CG 3.25Å; A138-K142 PolarHBondContact O-N 2.93Å; A138-L167 HydrophobicContact CB-CD1 4.25Å |
| 139 | V | 62.2 | Low | 59.4 | Low | 78 Ų | 78 | 71.7 Ų | 71.7 | 47% | 0.473 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -66.4 | -43.2 | 175.8 | 171 | 0 | 0 | 0 | 0 | 110.9 | V135 C136 L141 K142 L143 | V135-V139 HydrophobicContact CG1-CG2 4.47Å; V135-V139 VanDerWaalsContact O-CG2 3.26Å; V135-V139 WeakPolarHBondContact O-CG2 3.3Å; V135-V139 PolarHBondContact O-N 2.9Å; C136-V139 PolarHBondContact O-N 2.88Å; V139-L141 VanDerWaalsContact C-N 3.33Å; V139-L141 PolarHBondContact O-N 2.89Å; V139-K142 PolarHBondContact O-N 3.27Å; V139-L143 HydrophobicContact CG1-CD1 4Å; V139-L143 WeakPolarHBondContact O-CB 3.44Å; V139-L143 VanDerWaalsContact O-CG 3.32Å; V139-L143 WeakPolarHBondContact O-CG 3.49Å; V139-L143 PolarHBondContact O-N 3.01Å |
| 140 | L | 60.2 | Low | 58.2 | Low | 48 Ų | 48 | 75.4 Ų | 75.4 | 25% | 0.251 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.7 | -41.2 | 174.7 | -70.7 | 173.5 | 0 | 0 | 0 | 111.8 | C136 G137 L143 A144 | C136-L140 WeakPolarHBondContact O-CG 3.23Å; C136-L140 PolarHBondContact O-N 3.03Å; G137-L140 PolarHBondContact O-N 3.38Å; L140-L143 PolarHBondContact O-N 2.84Å; L140-A144 WeakPolarHBondContact O-CB 3.05Å; L140-A144 PolarHBondContact O-N 3.28Å |
| 141 | L | 62.2 | Low | 57.5 | Low | 33 Ų | 33 | 83.8 Ų | 83.8 | 17% | 0.173 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -67.3 | -39.5 | 177.4 | -160.9 | 70.9 | 0 | 0 | 0 | 112.1 | G137 A138 V139 A144 L145 Y160 V164 L167 | G137-L141 WeakPolarHBondContact O-CB 3.16Å; G137-L141 PolarHBondContact O-N 3.42Å; A138-L141 PolarHBondContact O-N 3.48Å; V139-L141 VanDerWaalsContact C-N 3.33Å; V139-L141 PolarHBondContact O-N 2.89Å; L141-A144 WeakPolarHBondContact O-CB 3.35Å; L141-A144 PolarHBondContact O-N 2.87Å; L141-L145 HydrophobicContact CG-CD1 4.39Å; L141-L145 VanDerWaalsContact O-CG 3.28Å; L141-L145 WeakPolarHBondContact O-CG 3.17Å; L141-L145 PolarHBondContact O-N 3.5Å; L141-Y160 HydrophobicContact CD1-CD2 3.52Å; L141-Y160 HydrophobicContact CD1-CE2 3.63Å; L141-Y160 HydrophobicContact CD1-CG 4.4Å; L141-V164 HydrophobicContact CD1-CG2 4.16Å; L141-L167 HydrophobicContact CD2-CD1 4.27Å |
| 142 | K | 59.1 | Low | 56.8 | Low | 117 Ų | 117 | 85.1 Ų | 85.1 | 51% | 0.509 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64.3 | -43.8 | 174.8 | -87.9 | -62.6 | -142.9 | 152 | 0 | 112.3 | A138 V139 A144 L145 E146 | A138-K142 WeakPolarHBondContact O-CB 3.25Å; A138-K142 WeakPolarHBondContact O-CG 3.25Å; A138-K142 PolarHBondContact O-N 2.93Å; V139-K142 PolarHBondContact O-N 3.27Å; K142-A144 VanDerWaalsContact C-N 3.31Å; K142-A144 PolarHBondContact O-N 2.9Å; K142-L145 PolarHBondContact O-N 3.32Å; K142-E146 IonicContact NZ-OE1 2.89Å; K142-E146 PolarHBondContact NZ-OE1 2.85Å; K142-E146 WeakPolarHBondContact O-CB 3.2Å; K142-E146 WeakPolarHBondContact O-CG 3.3Å; K142-E146 PolarHBondContact O-N 3.47Å |
| 143 | L | 61.4 | Low | 56.4 | Low | 69 Ų | 69 | 84.4 Ų | 84.4 | 36% | 0.361 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.3 | -38.5 | 174.6 | -72.4 | 168.6 | 0 | 0 | 0 | 111.7 | V139 L140 L145 H147 | V139-L143 HydrophobicContact CG1-CD1 4Å; V139-L143 WeakPolarHBondContact O-CB 3.44Å; V139-L143 VanDerWaalsContact O-CG 3.32Å; V139-L143 WeakPolarHBondContact O-CG 3.49Å; V139-L143 PolarHBondContact O-N 3.01Å; L140-L143 PolarHBondContact O-N 2.84Å; L143-L145 VanDerWaalsContact C-N 3.32Å; L143-L145 PolarHBondContact O-N 2.91Å; L143-H147 WeakPolarHBondContact O-CB 3.38Å; L143-H147 PolarHBondContact O-N 2.9Å; L143-H147 VanDerWaalsContact O-N 3.1Å |
| 144 | A | 58.9 | Low | 55.9 | Low | 17 Ų | 17 | 87.5 Ų | 87.5 | 14% | 0.14 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -63.8 | -35.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L140 L141 K142 M159 | L140-A144 WeakPolarHBondContact O-CB 3.05Å; L140-A144 PolarHBondContact O-N 3.28Å; L141-A144 WeakPolarHBondContact O-CB 3.35Å; L141-A144 PolarHBondContact O-N 2.87Å; K142-A144 VanDerWaalsContact C-N 3.31Å; K142-A144 PolarHBondContact O-N 2.9Å; A144-M159 HydrophobicContact CB-CE 3.61Å |
| 145 | L | 63.9 | Low | 55.5 | Low | 99 Ų | 99 | 89.6 Ų | 89.6 | 52% | 0.518 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -81.6 | -38.3 | -179.6 | -71.2 | 166.5 | 0 | 0 | 0 | 113 | L141 K142 L143 H148 | L141-L145 HydrophobicContact CG-CD1 4.39Å; L141-L145 VanDerWaalsContact O-CG 3.28Å; L141-L145 WeakPolarHBondContact O-CG 3.17Å; L141-L145 PolarHBondContact O-N 3.5Å; K142-L145 PolarHBondContact O-N 3.32Å; L143-L145 VanDerWaalsContact C-N 3.32Å; L143-L145 PolarHBondContact O-N 2.91Å; L145-H148 PolarHBondContact O-ND1 2.88Å |
| 146 | E | 60.2 | Low | 55.1 | Low | 124 Ų | 124 | 90.9 Ų | 90.9 | 58% | 0.579 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -82.7 | -32.6 | -174.8 | -72.5 | 175.2 | -170 | 0 | 0 | 113 | K142 H148 | K142-E146 IonicContact NZ-OE1 2.89Å; K142-E146 PolarHBondContact NZ-OE1 2.85Å; K142-E146 WeakPolarHBondContact O-CB 3.2Å; K142-E146 WeakPolarHBondContact O-CG 3.3Å; K142-E146 PolarHBondContact O-N 3.47Å; E146-H148 PolarHBondContact O-N 3.28Å; E146-H148 VanDerWaalsContact O-N 3.13Å |
| 147 | H | 52.4 | Low | 54.8 | Low | 120 Ų | 120 | 92.7 Ų | 92.7 | 56% | 0.556 | 52% | 0.519 | S | S | * | . | trans | -85.6 | 77.7 | 171.5 | -85.3 | 60.9 | 0 | 0 | 0 | 110.8 | L143 M149 | L143-H147 WeakPolarHBondContact O-CB 3.38Å; L143-H147 PolarHBondContact O-N 2.9Å; L143-H147 VanDerWaalsContact O-N 3.1Å; H147-M149 HydrophobicContact CB-CG 4.18Å; H147-M149 PolarHBondContact O-N 2.91Å | ||
| 148 | H | 48.5 | Very low | 54.7 | Low | 181 Ų | 181 | 95.4 Ų | 95.4 | 84% | 0.838 | 53% | 0.533 | S | S | * | . | trans | -64.7 | 63.1 | 155.8 | -87.1 | 68.8 | 0 | 0 | 0 | 110 | L145 E146 | L145-H148 PolarHBondContact O-ND1 2.88Å; E146-H148 PolarHBondContact O-N 3.28Å; E146-H148 VanDerWaalsContact O-N 3.13Å | ||
| 149 | M | 40.1 | Very low | 54.6 | Low | 137 Ų | 137 | 96.8 Ų | 96.8 | 68% | 0.675 | 54% | 0.535 | S | S | * | . | trans | -84.5 | 135.7 | 174.8 | -78.2 | -71.1 | -80.1 | 0 | 0 | 109.9 | H147 Q151 | H147-M149 HydrophobicContact CB-CG 4.18Å; H147-M149 PolarHBondContact O-N 2.91Å; M149-Q151 PolarHBondContact O-N 2.83Å; M149-Q151 VanDerWaalsContact O-N 3.13Å | ||
| 150 | P | 42.1 | Very low | 54.6 | Low | 112 Ų | 112 | 98.5 Ų | 98.5 | 73% | 0.727 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -84.7 | 89.7 | -170.3 | 34.2 | -32 | 0 | 0 | 0 | 109.8 | ||
| 151 | Q | 45.2 | Very low | 54.7 | Low | 180 Ų | 180 | 99.5 Ų | 99.5 | 84% | 0.841 | 54% | 0.538 | S | S | * | . | trans | -165 | 144 | 154.4 | -107.4 | 164.5 | 27.7 | 0 | 0 | 112.2 | M149 | M149-Q151 PolarHBondContact O-N 2.83Å; M149-Q151 VanDerWaalsContact O-N 3.13Å | ||
| 152 | P | 44.1 | Very low | 54.7 | Low | 121 Ų | 121 | 98.9 Ų | 98.9 | 79% | 0.786 | 54% | 0.536 | S | S | * | . | trans | -92.2 | 133.9 | -140.5 | 33.6 | -33.9 | 0 | 0 | 0 | 115.4 | V154 | P152-V154 PolarHBondContact O-N 2.88Š| ||
| 153 | G | 54 | Low | 54.8 | Low | 66 Ų | 66 | 93.3 Ų | 93.3 | 68% | 0.68 | 51% | 0.512 | S | S | * | . | S | Bend | 98.1 | -40.2 | 127.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | |||
| 154 | V | 51.2 | Low | 55 | Low | 116 Ų | 116 | 92.9 Ų | 92.9 | 70% | 0.703 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -108.9 | -45.2 | -169.7 | -177.2 | 0 | 0 | 0 | 0 | 113 | P152 L156 | P152-V154 PolarHBondContact O-N 2.88Å; V154-L156 VanDerWaalsContact C-N 3.33Å; V154-L156 PolarHBondContact O-N 3.26Å |
| 155 | A | 52.8 | Low | 55.3 | Low | 81 Ų | 81 | 96.2 Ų | 96.2 | 67% | 0.669 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -71 | -26.6 | -178 | 0 | 0 | 0 | 0 | 0 | 113.8 | M159 | A155-M159 PolarHBondContact O-N 2.96Å; A155-M159 VanDerWaalsContact O-N 3.09Å |
| 156 | L | 52.5 | Low | 55.1 | Low | 112 Ų | 112 | 93.8 Ų | 93.8 | 59% | 0.586 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.4 | -40.4 | -179.5 | -139.6 | 91.7 | 0 | 0 | 0 | 111.6 | V154 Y160 | V154-L156 VanDerWaalsContact C-N 3.33Å; V154-L156 PolarHBondContact O-N 3.26Å; L156-Y160 WeakPolarHBondContact O-CB 3.27Å; L156-Y160 PolarHBondContact O-N 2.87Å; L156-Y160 VanDerWaalsContact O-N 3.12Å |
| 157 | N | 56.5 | Low | 55.5 | Low | 99 Ų | 99 | 91 Ų | 91 | 53% | 0.529 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.9 | -42.1 | -179.7 | -157.3 | 24.5 | 0 | 0 | 0 | 110.1 | Y160 I161 | N157-Y160 PolarHBondContact O-N 3.23Å; N157-I161 HydrophobicContact CB-CD1 4.47Å; N157-I161 VanDerWaalsContact O-CB 3.27Å; N157-I161 WeakPolarHBondContact O-CB 3.15Å; N157-I161 VanDerWaalsContact O-CD1 3.25Å; N157-I161 WeakPolarHBondContact O-CD1 3.49Å; N157-I161 WeakPolarHBondContact O-CG1 3.42Å; N157-I161 PolarHBondContact O-N 3.34Å |
| 158 | D | 60.1 | Low | 56.2 | Low | 56 Ų | 56 | 88.1 Ų | 88.1 | 30% | 0.299 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.6 | -40.5 | -178.2 | -117.5 | -11.7 | 0 | 0 | 0 | 113.3 | S162 | D158-S162 VanDerWaalsContact O-CB 3.28Å; D158-S162 WeakPolarHBondContact O-CB 3.31Å; D158-S162 PolarHBondContact O-N 3.45Å |
| 159 | M | 58.4 | Low | 56.9 | Low | 67 Ų | 67 | 81.5 Ų | 81.5 | 33% | 0.33 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -70.6 | -36.2 | 177.1 | -161.6 | 173.3 | 96.7 | 0 | 0 | 111.9 | A144 A155 G163 | A144-M159 HydrophobicContact CB-CE 3.61Å; A155-M159 PolarHBondContact O-N 2.96Å; A155-M159 VanDerWaalsContact O-N 3.09Å; M159-G163 PolarHBondContact O-N 2.93Å |
| 160 | Y | 61.9 | Low | 58 | Low | 114 Ų | 114 | 75.1 Ų | 75.1 | 45% | 0.447 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -67 | -45.8 | 173.6 | -178.3 | -96.6 | 0 | 0 | 0 | 111.6 | L141 L156 N157 S162 G163 V164 | L141-Y160 HydrophobicContact CD1-CD2 3.52Å; L141-Y160 HydrophobicContact CD1-CE2 3.63Å; L141-Y160 HydrophobicContact CD1-CG 4.4Å; L156-Y160 WeakPolarHBondContact O-CB 3.27Å; L156-Y160 PolarHBondContact O-N 2.87Å; L156-Y160 VanDerWaalsContact O-N 3.12Å; N157-Y160 PolarHBondContact O-N 3.23Å; Y160-S162 PolarHBondContact O-N 3.48Å; Y160-G163 PolarHBondContact O-N 3.02Å; Y160-V164 HydrophobicContact CD1-CG2 4.14Å; Y160-V164 HydrophobicContact CE1-CG2 3.8Å; Y160-V164 HydrophobicContact CE2-CG2 4.35Å; Y160-V164 WeakPolarHBondContact O-CB 3.44Å; Y160-V164 VanDerWaalsContact O-CG2 3.29Å; Y160-V164 WeakPolarHBondContact O-CG2 3.47Å; Y160-V164 PolarHBondContact O-N 3.48Å |
| 161 | I | 63.2 | Low | 58.9 | Low | 69 Ų | 69 | 71 Ų | 71 | 35% | 0.354 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.1 | -46 | 176.7 | -70.4 | 162.5 | 0 | 0 | 0 | 110.2 | N157 G163 V164 V165 | N157-I161 HydrophobicContact CB-CD1 4.47Å; N157-I161 VanDerWaalsContact O-CB 3.27Å; N157-I161 WeakPolarHBondContact O-CB 3.15Å; N157-I161 VanDerWaalsContact O-CD1 3.25Å; N157-I161 WeakPolarHBondContact O-CD1 3.49Å; N157-I161 WeakPolarHBondContact O-CG1 3.42Å; N157-I161 PolarHBondContact O-N 3.34Å; I161-G163 PolarHBondContact O-N 2.95Å; I161-V164 PolarHBondContact O-N 3.47Å; I161-V165 HydrophobicContact CG2-CG2 4.26Å; I161-V165 WeakPolarHBondContact O-CB 3.28Å; I161-V165 WeakPolarHBondContact O-CG2 3.48Å; I161-V165 PolarHBondContact O-N 3.03Å |
| 162 | S | 61.4 | Low | 59.9 | Low | 19 Ų | 19 | 65.5 Ų | 65.5 | 13% | 0.133 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -61 | -43.4 | 176.1 | -178.2 | 0 | 0 | 0 | 0 | 112.2 | D158 Y160 V165 L166 | D158-S162 VanDerWaalsContact O-CB 3.28Å; D158-S162 WeakPolarHBondContact O-CB 3.31Å; D158-S162 PolarHBondContact O-N 3.45Å; Y160-S162 PolarHBondContact O-N 3.48Å; S162-V165 PolarHBondContact O-N 3.33Å; S162-L166 WeakPolarHBondContact O-CB 3.35Å; S162-L166 PolarHBondContact O-N 3.49Å |
| 163 | G | 62.5 | Low | 60.8 | Low | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62 | -43.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | M159 Y160 I161 L167 | M159-G163 PolarHBondContact O-N 2.93Å; Y160-G163 PolarHBondContact O-N 3.02Å; I161-G163 PolarHBondContact O-N 2.95Å; G163-L167 VanDerWaalsContact O-CB 3.23Å; G163-L167 WeakPolarHBondContact O-CB 3.43Å; G163-L167 PolarHBondContact O-N 3.33Å |
| 164 | V | 65.6 | Low | 61.4 | Low | 60 Ų | 60 | 59.8 Ų | 59.8 | 36% | 0.364 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.8 | -41.9 | 176.6 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | L141 Y160 I161 L167 A168 | L141-V164 HydrophobicContact CD1-CG2 4.16Å; Y160-V164 HydrophobicContact CD1-CG2 4.14Å; Y160-V164 HydrophobicContact CE1-CG2 3.8Å; Y160-V164 HydrophobicContact CE2-CG2 4.35Å; Y160-V164 WeakPolarHBondContact O-CB 3.44Å; Y160-V164 VanDerWaalsContact O-CG2 3.29Å; Y160-V164 WeakPolarHBondContact O-CG2 3.47Å; Y160-V164 PolarHBondContact O-N 3.48Å; I161-V164 PolarHBondContact O-N 3.47Å; V164-L167 PolarHBondContact O-N 2.94Å; V164-A168 WeakPolarHBondContact O-CB 3.32Å; V164-A168 PolarHBondContact O-N 3.41Å |
| 165 | V | 64.4 | Low | 62.2 | Low | 88 Ų | 88 | 58.7 Ų | 58.7 | 53% | 0.533 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66 | -42.4 | 178.1 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | I161 S162 G169 | I161-V165 HydrophobicContact CG2-CG2 4.26Å; I161-V165 WeakPolarHBondContact O-CB 3.28Å; I161-V165 WeakPolarHBondContact O-CG2 3.48Å; I161-V165 PolarHBondContact O-N 3.03Å; S162-V165 PolarHBondContact O-N 3.33Å; V165-G169 PolarHBondContact O-N 2.98Å |
| 166 | L | 61.1 | Low | 62.9 | Low | 48 Ų | 48 | 56.7 Ų | 56.7 | 25% | 0.251 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.2 | -42.6 | 174.6 | -112.7 | 87.3 | 0 | 0 | 0 | 111.9 | C136 S162 G170 | C136-L166 HydrophobicContact CB-CD2 4.4Å; S162-L166 WeakPolarHBondContact O-CB 3.35Å; S162-L166 PolarHBondContact O-N 3.49Å; L166-G170 PolarHBondContact O-N 3.48Å |
| 167 | L | 67.4 | Low | 63.4 | Low | 66 Ų | 66 | 52.3 Ų | 52.3 | 35% | 0.346 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -70.2 | -41.6 | -178.2 | -163.9 | 151.4 | 0 | 0 | 0 | 111.2 | A138 L141 G163 V164 G171 | A138-L167 HydrophobicContact CB-CD1 4.25Å; L141-L167 HydrophobicContact CD2-CD1 4.27Å; G163-L167 VanDerWaalsContact O-CB 3.23Å; G163-L167 WeakPolarHBondContact O-CB 3.43Å; G163-L167 PolarHBondContact O-N 3.33Å; V164-L167 PolarHBondContact O-N 2.94Å; L167-G171 WeakPolarHBondContact O-CA 3.47Å; L167-G171 PolarHBondContact O-N 2.97Å |
| 168 | A | 66.9 | Low | 63.9 | Low | 58 Ų | 58 | 49.4 Ų | 49.4 | 48% | 0.479 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -67.4 | -45.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | V164 A172 | V164-A168 WeakPolarHBondContact O-CB 3.32Å; V164-A168 PolarHBondContact O-N 3.41Å; A168-A172 VanDerWaalsContact O-CB 3.22Å; A168-A172 WeakPolarHBondContact O-CB 3.2Å; A168-A172 PolarHBondContact O-N 3.39Å |
| 169 | G | 63.8 | Low | 64.4 | Low | 43 Ų | 43 | 50.9 Ų | 50.9 | 44% | 0.443 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66.2 | -48.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | V165 A172 A173 | V165-G169 PolarHBondContact O-N 2.98Å; G169-A172 PolarHBondContact O-N 3.44Å; G169-A173 WeakPolarHBondContact O-CB 3.46Å; G169-A173 PolarHBondContact O-N 3.35Å |
| 170 | G | 62.2 | Low | 64.7 | Low | 3 Ų | 3 | 53.9 Ų | 53.9 | 3% | 0.031 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63 | -41.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L166 A173 V174 | L166-G170 PolarHBondContact O-N 3.48Å; G170-A173 PolarHBondContact O-N 2.9Å; G170-V174 WeakPolarHBondContact O-CG2 3.34Å; G170-V174 PolarHBondContact O-N 2.98Å |
| 171 | G | 62.6 | Low | 64.8 | Low | 24 Ų | 24 | 50.3 Ų | 50.3 | 25% | 0.247 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.6 | -46.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L167 A173 V174 V175 | L167-G171 WeakPolarHBondContact O-CA 3.47Å; L167-G171 PolarHBondContact O-N 2.97Å; G171-A173 VanDerWaalsContact C-N 3.3Å; G171-A173 PolarHBondContact O-N 3.35Å; G171-V174 PolarHBondContact O-N 2.92Å; G171-V175 WeakPolarHBondContact O-CB 3.45Å; G171-V175 VanDerWaalsContact O-CG2 3.26Å; G171-V175 WeakPolarHBondContact O-CG2 3.37Å; G171-V175 PolarHBondContact O-N 2.9Å |
| 172 | A | 66.1 | Low | 65.1 | Low | 65 Ų | 65 | 49 Ų | 49 | 54% | 0.537 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.6 | -39.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | A168 G169 G176 | A168-A172 VanDerWaalsContact O-CB 3.22Å; A168-A172 WeakPolarHBondContact O-CB 3.2Å; A168-A172 PolarHBondContact O-N 3.39Å; G169-A172 PolarHBondContact O-N 3.44Å; A172-G176 PolarHBondContact O-N 3.1Å |
| 173 | A | 62.3 | Low | 65.4 | Low | 31 Ų | 31 | 51.5 Ų | 51.5 | 26% | 0.256 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.1 | -47.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | G169 G170 G171 V175 G176 V177 | G169-A173 WeakPolarHBondContact O-CB 3.46Å; G169-A173 PolarHBondContact O-N 3.35Å; G170-A173 PolarHBondContact O-N 2.9Å; G171-A173 VanDerWaalsContact C-N 3.3Å; G171-A173 PolarHBondContact O-N 3.35Å; A173-V175 PolarHBondContact O-N 3.41Å; A173-G176 PolarHBondContact O-N 2.89Å; A173-V177 VanDerWaalsContact O-CG2 3.27Å; A173-V177 WeakPolarHBondContact O-CG2 3.26Å; A173-V177 PolarHBondContact O-N 3.36Å |
| 174 | V | 65.9 | Low | 65.5 | Low | 36 Ų | 36 | 54.2 Ų | 54.2 | 22% | 0.218 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.1 | -43 | 177.9 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | G170 G171 V177 G178 | G170-V174 WeakPolarHBondContact O-CG2 3.34Å; G170-V174 PolarHBondContact O-N 2.98Å; G171-V174 PolarHBondContact O-N 2.92Å; V174-V177 PolarHBondContact O-N 3.29Å; V174-G178 PolarHBondContact O-N 3.19Å |
| 175 | V | 68.6 | Low | 65.5 | Low | 93 Ų | 93 | 57.3 Ų | 57.3 | 56% | 0.564 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -65.3 | -44.3 | 177.2 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | G171 A173 V177 G178 V179 | G171-V175 WeakPolarHBondContact O-CB 3.45Å; G171-V175 VanDerWaalsContact O-CG2 3.26Å; G171-V175 WeakPolarHBondContact O-CG2 3.37Å; G171-V175 PolarHBondContact O-N 2.9Å; A173-V175 PolarHBondContact O-N 3.41Å; V175-V177 PolarHBondContact O-N 2.9Å; V175-G178 PolarHBondContact O-N 3.49Å; V175-V179 HydrophobicContact CG1-CG2 4.2Å; V175-V179 WeakPolarHBondContact O-CB 3.28Å; V175-V179 VanDerWaalsContact O-CG2 3.28Å; V175-V179 WeakPolarHBondContact O-CG2 3.38Å; V175-V179 PolarHBondContact O-N 3.46Å |
| 176 | G | 66.4 | Low | 65.9 | Low | 40 Ų | 40 | 58.4 Ų | 58.4 | 41% | 0.412 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.4 | -45 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A172 A173 V179 Y180 | A172-G176 PolarHBondContact O-N 3.1Å; A173-G176 PolarHBondContact O-N 2.89Å; G176-V179 PolarHBondContact O-N 3.12Å; G176-Y180 WeakPolarHBondContact O-CB 3.46Å; G176-Y180 PolarHBondContact O-N 2.97Å |
| 177 | V | 64.6 | Low | 66.3 | Low | 20 Ų | 20 | 60.1 Ų | 60.1 | 12% | 0.121 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.9 | -44.4 | 174.9 | 173 | 0 | 0 | 0 | 0 | 111 | L123 V126 L127 A173 V174 V175 V179 Y180 T181 | L123-V177 HydrophobicContact CD1-CG1 3.61Å; L123-V177 HydrophobicContact CG-CG1 4.02Å; V126-V177 HydrophobicContact CG1-CG2 3.73Å; L127-V177 HydrophobicContact CB-CG1 4.37Å; L127-V177 HydrophobicContact CD1-CG1 4.14Å; L127-V177 HydrophobicContact CG-CG1 4.37Å; A173-V177 VanDerWaalsContact O-CG2 3.27Å; A173-V177 WeakPolarHBondContact O-CG2 3.26Å; A173-V177 PolarHBondContact O-N 3.36Å; V174-V177 PolarHBondContact O-N 3.29Å; V175-V177 PolarHBondContact O-N 2.9Å; V177-V179 PolarHBondContact O-N 3.09Å; V177-Y180 PolarHBondContact O-N 2.97Å; V177-T181 PolarHBondContact O-N 2.78Å; V177-T181 PolarHBondContact O-OG1 2.93Å |
| 178 | G | 67.1 | Low | 66.1 | Low | 38 Ų | 38 | 62.8 Ų | 62.8 | 39% | 0.392 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.7 | -44.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | V174 V175 T181 G182 | V174-G178 PolarHBondContact O-N 3.19Å; V175-G178 PolarHBondContact O-N 3.49Å; G178-T181 PolarHBondContact O-N 3.13Å; G178-G182 PolarHBondContact O-N 3.36Å |
| 179 | V | 69.6 | Low | 65.8 | Low | 87 Ų | 87 | 70 Ų | 70 | 53% | 0.527 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.4 | -45.9 | 176.6 | 171 | 0 | 0 | 0 | 0 | 110.7 | V175 G176 V177 T181 G182 V183 | V175-V179 HydrophobicContact CG1-CG2 4.2Å; V175-V179 WeakPolarHBondContact O-CB 3.28Å; V175-V179 VanDerWaalsContact O-CG2 3.28Å; V175-V179 WeakPolarHBondContact O-CG2 3.38Å; V175-V179 PolarHBondContact O-N 3.46Å; G176-V179 PolarHBondContact O-N 3.12Å; V177-V179 PolarHBondContact O-N 3.09Å; V179-T181 VanDerWaalsContact C-N 3.32Å; V179-T181 PolarHBondContact O-N 3.1Å; V179-G182 PolarHBondContact O-N 3.4Å; V179-V183 HydrophobicContact CG1-CG2 4.2Å; V179-V183 WeakPolarHBondContact O-CB 3.28Å; V179-V183 VanDerWaalsContact O-CG2 3.26Å; V179-V183 WeakPolarHBondContact O-CG2 3.25Å; V179-V183 PolarHBondContact O-N 3.38Å |
| 180 | Y | 65.4 | Low | 65.6 | Low | 129 Ų | 129 | 72.8 Ų | 72.8 | 51% | 0.506 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -57.2 | -47.2 | 176.4 | 177.5 | -101.9 | 0 | 0 | 0 | 111.5 | L123 G176 V177 G182 V183 V184 | L123-Y180 HydrophobicContact CD1-CD1 4.3Å; G176-Y180 WeakPolarHBondContact O-CB 3.46Å; G176-Y180 PolarHBondContact O-N 2.97Å; V177-Y180 PolarHBondContact O-N 2.97Å; Y180-G182 PolarHBondContact O-N 3.29Å; Y180-V183 PolarHBondContact O-N 2.94Å; Y180-V184 HydrophobicContact CD1-CG2 4.48Å; Y180-V184 HydrophobicContact CE1-CG2 4.13Å; Y180-V184 HydrophobicContact CE2-CG2 4.2Å; Y180-V184 WeakPolarHBondContact O-CG2 3.47Å; Y180-V184 PolarHBondContact O-N 3.35Å |
| 181 | T | 64.1 | Low | 65.3 | Low | 40 Ų | 40 | 79.7 Ų | 79.7 | 25% | 0.245 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -62.9 | -43.3 | 178.2 | -42.4 | 0 | 0 | 0 | 0 | 111.5 | L123 V177 G178 V179 V184 M185 | L123-T181 HydrophobicContact CD2-CG2 3.89Å; L123-T181 WeakPolarHBondContact CD2-OG1 3.34Å; V177-T181 PolarHBondContact O-N 2.78Å; V177-T181 PolarHBondContact O-OG1 2.93Å; G178-T181 PolarHBondContact O-N 3.13Å; V179-T181 VanDerWaalsContact C-N 3.32Å; V179-T181 PolarHBondContact O-N 3.1Å; T181-V184 PolarHBondContact O-N 3.31Å; T181-M185 WeakPolarHBondContact O-CB 3.34Å; T181-M185 PolarHBondContact O-N 3.06Å |
| 182 | G | 68.8 | Low | 64.8 | Low | 40 Ų | 40 | 83.1 Ų | 83.1 | 41% | 0.412 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.4 | -43.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | G178 V179 Y180 M185 L186 | G178-G182 PolarHBondContact O-N 3.36Å; V179-G182 PolarHBondContact O-N 3.4Å; Y180-G182 PolarHBondContact O-N 3.29Å; G182-M185 PolarHBondContact O-N 3.03Å; G182-L186 WeakPolarHBondContact O-CB 3.45Å; G182-L186 PolarHBondContact O-N 2.92Å |
| 183 | V | 68.6 | Low | 64 | Low | 73 Ų | 73 | 82.9 Ų | 82.9 | 44% | 0.442 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65 | -43.9 | 176.9 | 170.4 | 0 | 0 | 0 | 0 | 110.9 | V179 Y180 L186 L187 | V179-V183 HydrophobicContact CG1-CG2 4.2Å; V179-V183 WeakPolarHBondContact O-CB 3.28Å; V179-V183 VanDerWaalsContact O-CG2 3.26Å; V179-V183 WeakPolarHBondContact O-CG2 3.25Å; V179-V183 PolarHBondContact O-N 3.38Å; Y180-V183 PolarHBondContact O-N 2.94Å; V183-L186 PolarHBondContact O-N 2.82Å; V183-L187 HydrophobicContact CG1-CD1 3.96Å; V183-L187 WeakPolarHBondContact O-CB 3.48Å; V183-L187 WeakPolarHBondContact O-CD1 3.46Å; V183-L187 PolarHBondContact O-N 3.44Å |
| 184 | V | 64 | Low | 63.4 | Low | 57 Ų | 57 | 85.5 Ų | 85.5 | 35% | 0.345 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.6 | -47.6 | 176.5 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | Y180 T181 L186 L187 E188 | Y180-V184 HydrophobicContact CD1-CG2 4.48Å; Y180-V184 HydrophobicContact CE1-CG2 4.13Å; Y180-V184 HydrophobicContact CE2-CG2 4.2Å; Y180-V184 WeakPolarHBondContact O-CG2 3.47Å; Y180-V184 PolarHBondContact O-N 3.35Å; T181-V184 PolarHBondContact O-N 3.31Å; V184-L186 VanDerWaalsContact C-N 3.32Å; V184-L186 PolarHBondContact O-N 2.85Å; V184-L187 PolarHBondContact O-N 3.26Å; V184-E188 WeakPolarHBondContact O-CG 3.47Å; V184-E188 PolarHBondContact O-N 3.4Å |
| 185 | M | 66.2 | Low | 62.7 | Low | 124 Ų | 124 | 94.2 Ų | 94.2 | 61% | 0.611 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.5 | -38.2 | 175.8 | -82.8 | -152 | 179.5 | 0 | 0 | 112.6 | T181 G182 E188 R189 | T181-M185 WeakPolarHBondContact O-CB 3.34Å; T181-M185 PolarHBondContact O-N 3.06Å; G182-M185 PolarHBondContact O-N 3.03Å; M185-E188 PolarHBondContact O-N 3.39Å; M185-R189 WeakPolarHBondContact O-CB 3.25Å; M185-R189 PolarHBondContact O-N 3.38Å |
| 186 | L | 72.8 | Confident | 61.8 | Low | 111 Ų | 111 | 98 Ų | 98 | 58% | 0.581 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -69.7 | -39.5 | 179 | -168.7 | 67.6 | 0 | 0 | 0 | 111.2 | G182 V183 V184 R189 T190 | G182-L186 WeakPolarHBondContact O-CB 3.45Å; G182-L186 PolarHBondContact O-N 2.92Å; V183-L186 PolarHBondContact O-N 2.82Å; V184-L186 VanDerWaalsContact C-N 3.32Å; V184-L186 PolarHBondContact O-N 2.85Å; L186-R189 PolarHBondContact O-N 2.87Å; L186-T190 WeakPolarHBondContact O-CB 3.46Å; L186-T190 PolarHBondContact O-N 3.13Å; L186-T190 PolarHBondContact O-OG1 3.48Å |
| 187 | L | 68.3 | Low | 61 | Low | 84 Ų | 84 | 104 Ų | 104 | 44% | 0.44 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.5 | -40.9 | 172.2 | -104.5 | 77.1 | 0 | 0 | 0 | 111.7 | V183 V184 T190 R191 | V183-L187 HydrophobicContact CG1-CD1 3.96Å; V183-L187 WeakPolarHBondContact O-CB 3.48Å; V183-L187 WeakPolarHBondContact O-CD1 3.46Å; V183-L187 PolarHBondContact O-N 3.44Å; V184-L187 PolarHBondContact O-N 3.26Å; L187-T190 WeakPolarHBondContact CA-OG1 3.34Å; L187-T190 PolarHBondContact O-N 3.24Å; L187-T190 PolarHBondContact O-OG1 2.86Å; L187-R191 VanDerWaalsContact O-CB 3.29Å; L187-R191 WeakPolarHBondContact O-CB 3.39Å; L187-R191 VanDerWaalsContact O-CG 3.27Å; L187-R191 WeakPolarHBondContact O-CG 3.36Å; L187-R191 PolarHBondContact O-N 3.19Å |
| 188 | E | 63.9 | Low | 60.3 | Low | 122 Ų | 122 | 109 Ų | 109 | 57% | 0.57 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66 | -40.9 | 174.7 | -74.3 | -171.1 | 163.7 | 0 | 0 | 111.7 | V184 M185 T190 R191 | V184-E188 WeakPolarHBondContact O-CG 3.47Å; V184-E188 PolarHBondContact O-N 3.4Å; M185-E188 PolarHBondContact O-N 3.39Å; E188-T190 VanDerWaalsContact C-N 3.35Å; E188-R191 PolarHBondContact O-N 3.04Å |
| 189 | R | 61 | Low | 59.6 | Low | 210 Ų | 210 | 116.5 Ų | 116.5 | 79% | 0.792 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -69.4 | -26.1 | 175 | -97.7 | -169.6 | 177.7 | 177.2 | 1.1 | 114.4 | M185 L186 P192 | M185-R189 WeakPolarHBondContact O-CB 3.25Å; M185-R189 PolarHBondContact O-N 3.38Å; L186-R189 PolarHBondContact O-N 2.87Å; R189-P192 WeakPolarHBondContact O-CD 3.27Å; R189-P192 VanDerWaalsContact O-CG 3.26Å; R189-P192 WeakPolarHBondContact O-CG 3.46Å |
| 190 | T | 59.7 | Low | 58.7 | Low | 102 Ų | 102 | 114.4 Ų | 114.4 | 63% | 0.626 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -90.5 | -10.9 | 175.4 | 42.4 | 0 | 0 | 0 | 0 | 112.9 | L186 L187 E188 | L186-T190 WeakPolarHBondContact O-CB 3.46Å; L186-T190 PolarHBondContact O-N 3.13Å; L186-T190 PolarHBondContact O-OG1 3.48Å; L187-T190 WeakPolarHBondContact CA-OG1 3.34Å; L187-T190 PolarHBondContact O-N 3.24Å; L187-T190 PolarHBondContact O-OG1 2.86Å; E188-T190 VanDerWaalsContact C-N 3.35Å |
| 191 | R | 55.2 | Low | 58 | Low | 147 Ų | 147 | 112.2 Ų | 112.2 | 56% | 0.555 | 56% | 0.559 | S | S | * | * | G | 310 helix | trans | -86.6 | 5.3 | 171.9 | -82.4 | -177.4 | 176.3 | 174 | 1.9 | 119 | L187 E188 G193 Q194 | L187-R191 VanDerWaalsContact O-CB 3.29Å; L187-R191 WeakPolarHBondContact O-CB 3.39Å; L187-R191 VanDerWaalsContact O-CG 3.27Å; L187-R191 WeakPolarHBondContact O-CG 3.36Å; L187-R191 PolarHBondContact O-N 3.19Å; E188-R191 PolarHBondContact O-N 3.04Å; R191-G193 PolarHBondContact O-N 3.4Å; R191-G193 VanDerWaalsContact O-N 3.12Å; R191-Q194 PolarHBondContact O-N 3.47Å; R191-Q194 VanDerWaalsContact O-N 3.17Å |
| 192 | P | 52.5 | Low | 57.2 | Low | 97 Ų | 97 | 111.5 Ų | 111.5 | 63% | 0.63 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -66 | -15 | 175.2 | 24.7 | -28.6 | 0 | 0 | 0 | 112.9 | R189 | R189-P192 WeakPolarHBondContact O-CD 3.27Å; R189-P192 VanDerWaalsContact O-CG 3.26Å; R189-P192 WeakPolarHBondContact O-CG 3.46Å |
| 193 | G | 49 | Very low | 56.3 | Low | 59 Ų | 59 | 115.3 Ų | 115.3 | 61% | 0.608 | 57% | 0.57 | S | S | * | * | G | 310 helix | trans | -82.8 | -13.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 116 | R191 | R191-G193 PolarHBondContact O-N 3.4Å; R191-G193 VanDerWaalsContact O-N 3.12Å |
| 194 | Q | 49.5 | Very low | 55.3 | Low | 87 Ų | 87 | 120.4 Ų | 120.4 | 41% | 0.407 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -95.2 | -22.8 | -171.4 | -145.8 | 174.3 | 5.5 | 0 | 0 | 113.6 | R191 F196 R197 D198 | R191-Q194 PolarHBondContact O-N 3.47Å; R191-Q194 VanDerWaalsContact O-N 3.17Å; Q194-F196 VanDerWaalsContact C-N 3.25Å; Q194-F196 PolarHBondContact O-N 3.34Å; Q194-R197 PolarHBondContact O-N 3.13Å; Q194-R197 VanDerWaalsContact O-N 3.11Å; Q194-D198 PolarHBondContact O-N 3.33Å |
| 195 | R | 51.6 | Low | 54.3 | Low | 219 Ų | 219 | 122.7 Ų | 122.7 | 83% | 0.826 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -63.3 | -30.3 | 170.9 | -88.5 | -173.9 | 177.8 | -175.5 | -1.3 | 112.9 | R199 | R195-R199 WeakPolarHBondContact O-CB 3.19Å; R195-R199 PolarHBondContact O-N 2.84Å |
| 196 | F | 50.6 | Low | 53.3 | Low | 171 Ų | 171 | 122.6 Ų | 122.6 | 75% | 0.75 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -72.1 | -32.7 | 173.5 | -110 | -86.6 | 0 | 0 | 0 | 112 | Q194 R199 A200 | Q194-F196 VanDerWaalsContact C-N 3.25Å; Q194-F196 PolarHBondContact O-N 3.34Å; F196-R199 PolarHBondContact O-N 3.12Å; F196-A200 VanDerWaalsContact O-CB 3.25Å; F196-A200 WeakPolarHBondContact O-CB 3.5Å; F196-A200 PolarHBondContact O-N 2.92Å |
| 197 | R | 48 | Very low | 52.2 | Low | 167 Ų | 167 | 122.5 Ų | 122.5 | 63% | 0.63 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -74.1 | -39.3 | -178.3 | -152.8 | 162.8 | 74.6 | 178.7 | 5.7 | 112.3 | Q194 A200 V201 | Q194-R197 PolarHBondContact O-N 3.13Å; Q194-R197 VanDerWaalsContact O-N 3.11Å; R197-A200 PolarHBondContact O-N 2.88Å; R197-V201 WeakPolarHBondContact O-CB 3.47Å; R197-V201 WeakPolarHBondContact O-CG2 3.3Å; R197-V201 PolarHBondContact O-N 3.47Å |
| 198 | D | 50.4 | Low | 51.1 | Low | 125 Ų | 125 | 122 Ų | 122 | 67% | 0.668 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -68.6 | -34.4 | 172.7 | -87.2 | -27.7 | 0 | 0 | 0 | 112.7 | Q194 G202 | Q194-D198 PolarHBondContact O-N 3.33Å; D198-G202 PolarHBondContact O-N 3.09Å |
| 199 | R | 52.4 | Low | 50.2 | Low | 196 Ų | 196 | 127.9 Ų | 127.9 | 74% | 0.74 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -70.4 | -35.1 | 174.2 | -146.7 | 172.5 | -164.7 | 158.3 | 2.6 | 111.7 | R195 F196 L203 | R195-R199 WeakPolarHBondContact O-CB 3.19Å; R195-R199 PolarHBondContact O-N 2.84Å; F196-R199 PolarHBondContact O-N 3.12Å; R199-L203 HydrophobicContact CG-CD1 4.28Å; R199-L203 WeakPolarHBondContact O-CB 3.26Å; R199-L203 WeakPolarHBondContact O-CD1 3.11Å; R199-L203 PolarHBondContact O-N 3.47Å |
| 200 | A | 49.8 | Very low | 49.4 | Very low | 42 Ų | 42 | 124.8 Ų | 124.8 | 35% | 0.347 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -70.5 | -44.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | F196 R197 G202 L203 F204 | F196-A200 VanDerWaalsContact O-CB 3.25Å; F196-A200 WeakPolarHBondContact O-CB 3.5Å; F196-A200 PolarHBondContact O-N 2.92Å; R197-A200 PolarHBondContact O-N 2.88Å; A200-G202 VanDerWaalsContact C-N 3.31Å; A200-G202 PolarHBondContact O-N 2.98Å; A200-L203 PolarHBondContact O-N 3.36Å; A200-L203 VanDerWaalsContact O-N 3.16Å; A200-F204 VanDerWaalsContact O-CD2 3.26Å; A200-F204 WeakPolarHBondContact O-CD2 3.18Å; A200-F204 PolarHBondContact O-N 2.88Å |
| 201 | V | 52 | Low | 48.5 | Very low | 83 Ų | 83 | 128.9 Ų | 128.9 | 50% | 0.503 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -66.5 | -35.2 | 177.7 | 177.1 | 0 | 0 | 0 | 0 | 110.9 | R197 F204 T205 | R197-V201 WeakPolarHBondContact O-CB 3.47Å; R197-V201 WeakPolarHBondContact O-CG2 3.3Å; R197-V201 PolarHBondContact O-N 3.47Å; V201-F204 PolarHBondContact O-N 3.48Å; V201-T205 PolarHBondContact O-N 2.8Å; V201-T205 PolarHBondContact O-OG1 3.45Å |
| 202 | G | 47.8 | Very low | 48.2 | Very low | 26 Ų | 26 | 129.7 Ų | 129.7 | 27% | 0.268 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -68.7 | -34.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | D198 A200 I206 | D198-G202 PolarHBondContact O-N 3.09Å; A200-G202 VanDerWaalsContact C-N 3.31Å; A200-G202 PolarHBondContact O-N 2.98Å; G202-I206 WeakPolarHBondContact O-CB 3.22Å; G202-I206 WeakPolarHBondContact O-CD1 3.33Å; G202-I206 VanDerWaalsContact O-CG1 3.22Å; G202-I206 WeakPolarHBondContact O-CG1 3.39Å; G202-I206 PolarHBondContact O-N 3.43Å |
| 203 | L | 48.7 | Very low | 47.8 | Very low | 120 Ų | 120 | 133.6 Ų | 133.6 | 63% | 0.628 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -70.8 | -36.2 | 172.3 | -103.4 | 97.9 | 0 | 0 | 0 | 112.3 | R199 A200 | R199-L203 HydrophobicContact CG-CD1 4.28Å; R199-L203 WeakPolarHBondContact O-CB 3.26Å; R199-L203 WeakPolarHBondContact O-CD1 3.11Å; R199-L203 PolarHBondContact O-N 3.47Å; A200-L203 PolarHBondContact O-N 3.36Å; A200-L203 VanDerWaalsContact O-N 3.16Å |
| 204 | F | 47.3 | Very low | 47.5 | Very low | 180 Ų | 180 | 134.6 Ų | 134.6 | 79% | 0.789 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -79.3 | -19.4 | 179 | -84.7 | -79.2 | 0 | 0 | 0 | 113.8 | A200 V201 | A200-F204 VanDerWaalsContact O-CD2 3.26Å; A200-F204 WeakPolarHBondContact O-CD2 3.18Å; A200-F204 PolarHBondContact O-N 2.88Å; V201-F204 PolarHBondContact O-N 3.48Å |
| 205 | T | 43.8 | Very low | 47.3 | Very low | 104 Ų | 104 | 141.6 Ų | 141.6 | 64% | 0.638 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -95.4 | -7.4 | 173.9 | 43.4 | 0 | 0 | 0 | 0 | 114.4 | V201 | V201-T205 PolarHBondContact O-N 2.8Å; V201-T205 PolarHBondContact O-OG1 3.45Å |
| 206 | I | 45.6 | Very low | 46.8 | Very low | 123 Ų | 123 | 142.7 Ų | 142.7 | 63% | 0.631 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -92.9 | -5 | 176.2 | -74.6 | 171.1 | 0 | 0 | 0 | 113.4 | G202 G208 | G202-I206 WeakPolarHBondContact O-CB 3.22Å; G202-I206 WeakPolarHBondContact O-CD1 3.33Å; G202-I206 VanDerWaalsContact O-CG1 3.22Å; G202-I206 WeakPolarHBondContact O-CG1 3.39Å; G202-I206 PolarHBondContact O-N 3.43Å; I206-G208 VanDerWaalsContact C-N 3.3Å; I206-G208 PolarHBondContact O-N 3.22Å |
| 207 | S | 48.5 | Very low | 46.4 | Very low | 108 Ų | 108 | 143.2 Ų | 143.2 | 76% | 0.755 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -3.2 | 173.3 | -67.2 | 0 | 0 | 0 | 0 | 114.9 | ||
| 208 | G | 45.3 | Very low | 46.1 | Very low | 75 Ų | 75 | 141.3 Ų | 141.3 | 77% | 0.773 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | -8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116 | I206 | I206-G208 VanDerWaalsContact C-N 3.3Å; I206-G208 PolarHBondContact O-N 3.22Å |
| 209 | R | 45.7 | Very low | 45.5 | Very low | 244 Ų | 244 | 141.4 Ų | 141.4 | 92% | 0.921 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -128.1 | 9.2 | -171.1 | -131.6 | -176.1 | -169.4 | -175.1 | 3.2 | 116 | ||
| 210 | H | 43.1 | Very low | 44.8 | Very low | 146 Ų | 146 | 137.4 Ų | 137.4 | 68% | 0.676 | 73% | 0.732 | S | S | * | * | trans | -114.9 | 53.8 | 177.7 | -156.4 | -43.7 | 0 | 0 | 0 | 111.6 | ||||
| 211 | M | 42.5 | Very low | 44.3 | Very low | 187 Ų | 187 | 140 Ų | 140 | 92% | 0.921 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -128.3 | 27 | 174.8 | -112.4 | -173.6 | 87 | 0 | 0 | 113.7 | ||
| 212 | D | 47.1 | Very low | 43.8 | Very low | 164 Ų | 164 | 143.9 Ų | 143.9 | 88% | 0.877 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -140 | 21.1 | 175.8 | -135.5 | -2.1 | 0 | 0 | 0 | 115.2 | ||
| 213 | Q | 46.2 | Very low | 43.6 | Very low | 179 Ų | 179 | 146.7 Ų | 146.7 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -131.5 | 51.4 | 179.5 | -152 | 152.4 | 7.8 | 0 | 0 | 111.4 | ||
| 214 | G | 42.1 | Very low | 43.1 | Very low | 81 Ų | 81 | 147.7 Ų | 147.7 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -144.1 | 15.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 215 | R | 44.2 | Very low | 42.8 | Very low | 233 Ų | 233 | 146.2 Ų | 146.2 | 88% | 0.879 | 79% | 0.792 | S | S | * | * | trans | -138.4 | 81.4 | -178.8 | -164.8 | 174.1 | -173.1 | -171.1 | 1.8 | 111.7 | ||||
| 216 | R | 41.5 | Very low | 42.9 | Very low | 243 Ų | 243 | 152.7 Ų | 152.7 | 92% | 0.917 | 82% | 0.82 | S | S | * | * | trans | 170.9 | 79.9 | 139.2 | -93 | 157.6 | -178.1 | -175.5 | 1.8 | 110 | ||||
| 217 | E | 42.1 | Very low | 42.7 | Very low | 182 Ų | 182 | 154.2 Ų | 154.2 | 85% | 0.85 | 83% | 0.83 | S | S | * | * | trans | -128.2 | 146.3 | 144.9 | -72.1 | -162.2 | 176 | 0 | 0 | 108.9 | ||||
| 218 | T | 42.3 | Very low | 42.4 | Very low | 127 Ų | 127 | 156.6 Ų | 156.6 | 78% | 0.779 | 83% | 0.833 | S | S | * | * | trans | 83.4 | 102.2 | 175.5 | 74.2 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 219 | T | 37.8 | Very low | 42.3 | Very low | 127 Ų | 127 | 161.2 Ų | 161.2 | 78% | 0.779 | 84% | 0.837 | S | S | * | * | 174.2 | 124.5 | 91.9 | 37.7 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 220 | S | 38 | Very low | 42.1 | Very low | 111 Ų | 111 | 156.3 Ų | 156.3 | 78% | 0.776 | 83% | 0.832 | S | S | * | * | trans | 43.5 | 121.6 | 140.5 | 63.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 221 | S | 39.5 | Very low | 42 | Very low | 98 Ų | 98 | 156.9 Ų | 156.9 | 69% | 0.685 | 84% | 0.842 | S | S | * | * | 171.1 | 131.4 | 100 | -154.8 | 0 | 0 | 0 | 0 | 111 | |||||
| 222 | L | 40.8 | Very low | 42 | Very low | 163 Ų | 163 | 154.9 Ų | 154.9 | 85% | 0.853 | 84% | 0.836 | S | S | * | * | trans | 38.2 | 133.2 | 139.5 | -57.5 | 174.3 | 0 | 0 | 0 | 118.5 | ||||
| 223 | A | 44.3 | Very low | 41.6 | Very low | 86 Ų | 86 | 154.3 Ų | 154.3 | 71% | 0.711 | 83% | 0.833 | S | S | * | * | cis | -169.6 | 133.3 | 30.7 | 0 | 0 | 0 | 0 | 0 | 106 | ||||
| 224 | N | 38 | Very low | 41.2 | Very low | 141 Ų | 141 | 152.4 Ų | 152.4 | 75% | 0.754 | 83% | 0.833 | S | S | * | * | 65.4 | 111.2 | 82.5 | -149 | 32.7 | 0 | 0 | 0 | 114.8 | |||||
| 225 | L | 40.4 | Very low | 41.2 | Very low | 148 Ų | 148 | 158.3 Ų | 158.3 | 78% | 0.775 | 83% | 0.833 | S | S | * | * | trans | 32.8 | 116.9 | 154.1 | -83.4 | 102 | 0 | 0 | 0 | 120.4 | ||||
| 226 | I | 45.1 | Very low | 40.9 | Very low | 241 Ų | 241 | 151.5 Ų | 151.5 | 100% | 1.236 | 83% | 0.829 | S | S | * | * | -170.7 | 0 | 102 | -89.5 | 158.8 | 0 | 0 | 0 | 108.5 |
Retrieved 226 of 226 residues in 126.4 ms
(Link to these results)