| 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 | 45.1 | Very low | 49.5 | Very low | 250 Ų | 250 | 166.3 Ų | 166.3 | 100% | 1.232 | 87% | 0.874 | S | S | * | * | 0 | 137.1 | 0 | -74.1 | 161.7 | 167.8 | 0 | 0 | 107.9 | |||||
| 2 | G | 41.5 | Very low | 49.7 | Very low | 83 Ų | 83 | 162.5 Ų | 162.5 | 86% | 0.856 | 87% | 0.869 | S | S | * | * | trans | -84.4 | 148.1 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 3 | T | 54.1 | Low | 50.3 | Low | 133 Ų | 133 | 158.8 Ų | 158.8 | 82% | 0.816 | 86% | 0.864 | S | S | * | * | trans | -82.8 | 145.8 | 168.7 | 46 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 4 | R | 45.1 | Very low | 50.5 | Low | 250 Ų | 250 | 154.9 Ų | 154.9 | 94% | 0.943 | 85% | 0.851 | S | S | * | * | trans | -147 | 125.1 | 157.8 | -151.6 | 174.2 | -160.8 | -152.2 | 2.7 | 111.7 | ||||
| 5 | W | 48.7 | Very low | 50.7 | Low | 247 Ų | 247 | 157.2 Ų | 157.2 | 94% | 0.936 | 85% | 0.852 | S | S | * | * | trans | -93.4 | 159.1 | 174 | -72.5 | 82.4 | 0 | 0 | 0 | 111.1 | ||||
| 6 | G | 49.3 | Very low | 51.1 | Low | 66 Ų | 66 | 156.4 Ų | 156.4 | 68% | 0.68 | 85% | 0.846 | S | S | * | * | trans | 128.8 | 149.5 | 146.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 7 | L | 54.1 | Low | 51.3 | Low | 183 Ų | 183 | 154.6 Ų | 154.6 | 96% | 0.958 | 85% | 0.845 | S | S | * | * | trans | 76.3 | 121.1 | -179.6 | -52 | 168.6 | 0 | 0 | 0 | 115.1 | ||||
| 8 | G | 48.3 | Very low | 51.4 | Low | 67 Ų | 67 | 150.8 Ų | 150.8 | 69% | 0.691 | 84% | 0.837 | S | S | * | * | cis | 154.2 | 155.9 | -13.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 9 | R | 50.1 | Low | 51.9 | Low | 241 Ų | 241 | 149.3 Ų | 149.3 | 91% | 0.909 | 84% | 0.838 | S | S | * | * | trans | 74.9 | 102.2 | 173.5 | -45 | -177.9 | -153.7 | -137.4 | 4.9 | 117.1 | ||||
| 10 | K | 52.8 | Low | 51.8 | Low | 193 Ų | 193 | 145.5 Ų | 145.5 | 84% | 0.839 | 83% | 0.834 | S | S | * | * | 45.2 | 147.6 | 124.1 | -65.8 | -69.2 | -175 | 174.9 | 0 | 121.1 | |||||
| 11 | P | 55 | Low | 51.6 | Low | 116 Ų | 116 | 149.1 Ų | 149.1 | 75% | 0.753 | 83% | 0.834 | S | S | * | * | trans | -77.2 | 152.8 | -170 | 33.3 | -37.6 | 0 | 0 | 0 | 114.1 | ||||
| 12 | C | 52 | Low | 51.6 | Low | 121 Ų | 121 | 144.8 Ų | 144.8 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -134.6 | 65.5 | 176.4 | -71.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 13 | S | 57.5 | Low | 51.7 | Low | 114 Ų | 114 | 147.8 Ų | 147.8 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | trans | -98.4 | 130.2 | 135.1 | -66.3 | 0 | 0 | 0 | 0 | 105 | ||||
| 14 | P | 53 | Low | 51.3 | Low | 105 Ų | 105 | 144.4 Ų | 144.4 | 68% | 0.682 | 79% | 0.786 | S | S | * | * | cis | -139.5 | 136 | 45.6 | 36.9 | -18.5 | 0 | 0 | 0 | 116 | L16 | P14-L16 VanDerWaalsContact C-N 3.27Å; P14-L16 PolarHBondContact O-N 3.45Å | ||
| 15 | H | 53.7 | Low | 51.5 | Low | 189 Ų | 189 | 136.4 Ų | 136.4 | 88% | 0.875 | 76% | 0.762 | S | S | * | * | trans | -87 | 71.2 | 158 | -78.1 | -71.8 | 0 | 0 | 0 | 110.5 | P17 | H15-P17 WeakPolarHBondContact O-CD 3.49Š| ||
| 16 | L | 58 | Low | 51.5 | Low | 144 Ų | 144 | 133.3 Ų | 133.3 | 75% | 0.754 | 75% | 0.75 | S | S | * | * | trans | -89.8 | 110.7 | 167.7 | -145.4 | 82.9 | 0 | 0 | 0 | 108.3 | P14 A18 | P14-L16 VanDerWaalsContact C-N 3.27Å; P14-L16 PolarHBondContact O-N 3.45Å; L16-A18 PolarHBondContact O-N 3.27Å | ||
| 17 | P | 53.4 | Low | 51.6 | Low | 127 Ų | 127 | 135.7 Ų | 135.7 | 83% | 0.825 | 75% | 0.752 | S | S | * | * | trans | -73.1 | 93.4 | 171.2 | 29.4 | -32.7 | 0 | 0 | 0 | 109.3 | H15 S19 | H15-P17 WeakPolarHBondContact O-CD 3.49Å; P17-S19 PolarHBondContact O-N 2.88Å | ||
| 18 | A | 54 | Low | 51.6 | Low | 85 Ų | 85 | 131.3 Ų | 131.3 | 70% | 0.702 | 73% | 0.726 | S | S | * | * | trans | -71.7 | 126 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L16 | L16-A18 PolarHBondContact O-N 3.27Š| ||
| 19 | S | 61.4 | Low | 52 | Low | 123 Ų | 123 | 131.1 Ų | 131.1 | 86% | 0.86 | 71% | 0.713 | S | S | * | * | trans | 53.2 | 59.9 | 157.1 | -60.5 | 0 | 0 | 0 | 0 | 118.1 | P17 R21 | P17-S19 PolarHBondContact O-N 2.88Å; S19-R21 PolarHBondContact O-N 2.87Å; S19-R21 VanDerWaalsContact O-N 3.12Å | ||
| 20 | G | 49.9 | Very low | 52.4 | Low | 73 Ų | 73 | 125.3 Ų | 125.3 | 75% | 0.753 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -74.4 | 19.7 | 164.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 21 | R | 47.2 | Very low | 52.6 | Low | 221 Ų | 221 | 117.1 Ų | 117.1 | 83% | 0.834 | 66% | 0.657 | S | S | * | * | trans | 61 | 138.2 | -154.7 | -67.8 | 173.5 | -90.1 | -113.9 | -2.9 | 113.1 | S19 Q23 | S19-R21 PolarHBondContact O-N 2.87Å; S19-R21 VanDerWaalsContact O-N 3.12Å; R21-Q23 VanDerWaalsContact C-N 3.26Å; R21-Q23 PolarHBondContact O-N 2.84Å; R21-Q23 VanDerWaalsContact O-N 3.12Å | ||
| 22 | L | 45.3 | Very low | 52.8 | Low | 159 Ų | 159 | 117 Ų | 117 | 83% | 0.832 | 65% | 0.647 | S | S | * | * | trans | -69.1 | 100.4 | 140 | -82.8 | 93 | 0 | 0 | 0 | 105.8 | T24 | L22-T24 PolarHBondContact O-N 3.21Š| ||
| 23 | Q | 43.3 | Very low | 53.4 | Low | 146 Ų | 146 | 112.2 Ų | 112.2 | 68% | 0.682 | 62% | 0.619 | S | S | * | * | trans | -61.6 | 89 | 134 | -78.9 | 173.9 | -65.3 | 0 | 0 | 105.6 | R21 D25 | R21-Q23 VanDerWaalsContact C-N 3.26Å; R21-Q23 PolarHBondContact O-N 2.84Å; R21-Q23 VanDerWaalsContact O-N 3.12Å; Q23-D25 PolarHBondContact O-N 3.05Å | ||
| 24 | T | 44.7 | Very low | 53.6 | Low | 62 Ų | 62 | 110.1 Ų | 110.1 | 38% | 0.38 | 60% | 0.598 | S | S | . | * | trans | -55.3 | 106 | 141 | -42.1 | 0 | 0 | 0 | 0 | 103.2 | L22 W26 L31 | L22-T24 PolarHBondContact O-N 3.21Å; T24-W26 VanDerWaalsContact C-N 3.27Å; T24-W26 PolarHBondContact O-N 2.78Å; T24-W26 PolarHBondContact O-NE1 3.07Å; T24-L31 HydrophobicContact CG2-CD2 3.78Å | ||
| 25 | D | 49.1 | Very low | 54 | Low | 82 Ų | 82 | 107.7 Ų | 107.7 | 44% | 0.439 | 59% | 0.587 | S | S | . | * | trans | -69.7 | 92.6 | -178.3 | -85.3 | -55.9 | 0 | 0 | 0 | 107.8 | Q23 T27 E28 | Q23-D25 PolarHBondContact O-N 3.05Å; D25-T27 PolarHBondContact O-N 2.99Å; D25-E28 HydrophobicContact CB-CG 3.96Å; D25-E28 WeakPolarHBondContact O-CB 3.33Å; D25-E28 WeakPolarHBondContact O-CG 3.5Å; D25-E28 PolarHBondContact O-N 3.13Å | ||
| 26 | W | 49.7 | Very low | 54.6 | Low | 183 Ų | 183 | 101.6 Ų | 101.6 | 69% | 0.693 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | -12.3 | 176.3 | -58.3 | 86.4 | 0 | 0 | 0 | 112.2 | T24 E28 L31 | T24-W26 VanDerWaalsContact C-N 3.27Å; T24-W26 PolarHBondContact O-N 2.78Å; T24-W26 PolarHBondContact O-NE1 3.07Å; W26-E28 VanDerWaalsContact C-N 3.29Å; W26-L31 HydrophobicContact CB-CD2 4.29Å; W26-L31 HydrophobicContact CD2-CD2 3.58Å; W26-L31 HydrophobicContact CE3-CD2 3.31Å; W26-L31 HydrophobicContact CE3-CG 4.13Å; W26-L31 HydrophobicContact CG-CD2 4.05Å; W26-L31 HydrophobicContact CH2-CD2 4.43Å; W26-L31 HydrophobicContact CZ3-CD2 3.78Å; W26-L31 HydrophobicContact CZ3-CG 4.33Å |
| 27 | T | 51 | Low | 54.8 | Low | 115 Ų | 115 | 97.4 Ų | 97.4 | 71% | 0.706 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -23 | 166.1 | -22.6 | 0 | 0 | 0 | 0 | 113.8 | D25 P29 | D25-T27 PolarHBondContact O-N 2.99Å; T27-P29 WeakPolarHBondContact O-CD 3.43Å |
| 28 | E | 54.4 | Low | 55.3 | Low | 91 Ų | 91 | 96.1 Ų | 96.1 | 43% | 0.425 | 53% | 0.528 | S | S | . | . | S | Bend | trans | -64.3 | 110.4 | 174 | -73.8 | -96.6 | 88.7 | 0 | 0 | 109.4 | D25 W26 W30 L31 | D25-E28 HydrophobicContact CB-CG 3.96Å; D25-E28 WeakPolarHBondContact O-CB 3.33Å; D25-E28 WeakPolarHBondContact O-CG 3.5Å; D25-E28 PolarHBondContact O-N 3.13Å; W26-E28 VanDerWaalsContact C-N 3.29Å; E28-W30 PolarHBondContact O-N 3.25Å; E28-W30 PolarHBondContact OE2-NE1 2.96Å; E28-L31 WeakPolarHBondContact O-CB 3.48Å; E28-L31 PolarHBondContact O-N 3.25Å |
| 29 | P | 56.5 | Low | 55.9 | Low | 64 Ų | 64 | 94.7 Ų | 94.7 | 42% | 0.416 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.8 | -11.9 | -165.9 | -22.5 | 34.3 | 0 | 0 | 0 | 115 | T27 L31 M32 G33 F83 | T27-P29 WeakPolarHBondContact O-CD 3.43Å; P29-L31 VanDerWaalsContact C-N 3.3Å; P29-M32 HydrophobicContact CB-CE 3.99Å; P29-M32 HydrophobicContact CG-CE 4.45Å; P29-M32 PolarHBondContact O-N 2.93Å; P29-G33 PolarHBondContact O-N 3.28Å; P29-F83 HydrophobicContact CB-CE2 3.81Å; P29-F83 HydrophobicContact CB-CZ 4.04Å; P29-F83 HydrophobicContact CG-CE2 3.74Å; P29-F83 HydrophobicContact CG-CZ 4.22Å |
| 30 | W | 57.9 | Low | 56 | Low | 118 Ų | 118 | 90.8 Ų | 90.8 | 45% | 0.447 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -69.4 | -31 | 171.7 | 65.6 | -97 | 0 | 0 | 0 | 111.7 | E28 G33 L34 F83 | E28-W30 PolarHBondContact O-N 3.25Å; E28-W30 PolarHBondContact OE2-NE1 2.96Å; W30-G33 PolarHBondContact O-N 2.99Å; W30-L34 WeakPolarHBondContact O-CB 3.32Å; W30-L34 PolarHBondContact O-N 3.14Å; W30-F83 HydrophobicContact CB-CE1 4.2Å; W30-F83 HydrophobicContact CB-CZ 4.17Å; W30-F83 AromaticContact CD1-CE1 3.95Å; W30-F83 HydrophobicContact CG-CE1 4.5Å |
| 31 | L | 58.3 | Low | 56.6 | Low | 22 Ų | 22 | 89.5 Ų | 89.5 | 12% | 0.115 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -72.2 | -38.5 | 175.6 | -155.6 | 76.3 | 0 | 0 | 0 | 110.7 | T24 W26 E28 P29 L34 A35 | T24-L31 HydrophobicContact CG2-CD2 3.78Å; W26-L31 HydrophobicContact CB-CD2 4.29Å; W26-L31 HydrophobicContact CD2-CD2 3.58Å; W26-L31 HydrophobicContact CE3-CD2 3.31Å; W26-L31 HydrophobicContact CE3-CG 4.13Å; W26-L31 HydrophobicContact CG-CD2 4.05Å; W26-L31 HydrophobicContact CH2-CD2 4.43Å; W26-L31 HydrophobicContact CZ3-CD2 3.78Å; W26-L31 HydrophobicContact CZ3-CG 4.33Å; E28-L31 WeakPolarHBondContact O-CB 3.48Å; E28-L31 PolarHBondContact O-N 3.25Å; P29-L31 VanDerWaalsContact C-N 3.3Å; L31-L34 PolarHBondContact O-N 2.74Å; L31-A35 WeakPolarHBondContact O-CB 3.23Å; L31-A35 PolarHBondContact O-N 3.21Å |
| 32 | M | 58.5 | Low | 57.4 | Low | 112 Ų | 112 | 84.4 Ų | 84.4 | 55% | 0.552 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -63.1 | -42.9 | 169.8 | -64.1 | -160 | -62.5 | 0 | 0 | 112 | P29 L34 A35 A36 | P29-M32 HydrophobicContact CB-CE 3.99Å; P29-M32 HydrophobicContact CG-CE 4.45Å; P29-M32 PolarHBondContact O-N 2.93Å; M32-L34 PolarHBondContact O-N 3Å; M32-A35 PolarHBondContact O-N 2.86Å; M32-A36 WeakPolarHBondContact O-CB 3.35Å; M32-A36 PolarHBondContact O-N 3.31Å |
| 33 | G | 63.7 | Low | 58.2 | Low | 22 Ų | 22 | 81.8 Ų | 81.8 | 23% | 0.227 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -60.3 | -42.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | P29 W30 A36 F37 | P29-G33 PolarHBondContact O-N 3.28Å; W30-G33 PolarHBondContact O-N 2.99Å; G33-A36 PolarHBondContact O-N 2.8Å; G33-F37 PolarHBondContact O-N 2.86Å |
| 34 | L | 62.4 | Low | 59.1 | Low | 69 Ų | 69 | 76 Ų | 76 | 36% | 0.361 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.6 | -43.8 | 175.1 | -173.9 | 64.8 | 0 | 0 | 0 | 111.9 | W30 L31 M32 F37 H38 | W30-L34 WeakPolarHBondContact O-CB 3.32Å; W30-L34 PolarHBondContact O-N 3.14Å; L31-L34 PolarHBondContact O-N 2.74Å; M32-L34 PolarHBondContact O-N 3Å; L34-F37 HydrophobicContact CD1-CD1 4.37Å; L34-F37 PolarHBondContact O-N 2.87Å; L34-H38 PolarHBondContact O-CD2 3.25Å; L34-H38 PolarHBondContact O-N 3.1Å |
| 35 | A | 62.2 | Low | 59.9 | Low | 55 Ų | 55 | 77.3 Ų | 77.3 | 46% | 0.455 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.4 | -42.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L31 M32 H38 A39 | L31-A35 WeakPolarHBondContact O-CB 3.23Å; L31-A35 PolarHBondContact O-N 3.21Å; M32-A35 PolarHBondContact O-N 2.86Å; A35-H38 PolarHBondContact O-N 3.04Å; A35-A39 WeakPolarHBondContact O-CB 3.42Å; A35-A39 PolarHBondContact O-N 2.94Å |
| 36 | A | 64.6 | Low | 60.3 | Low | 61 Ų | 61 | 77.3 Ų | 77.3 | 50% | 0.504 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.9 | -39.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | M32 G33 A39 L40 | M32-A36 WeakPolarHBondContact O-CB 3.35Å; M32-A36 PolarHBondContact O-N 3.31Å; G33-A36 PolarHBondContact O-N 2.8Å; A36-A39 PolarHBondContact O-N 3.01Å; A36-L40 WeakPolarHBondContact O-CB 3.41Å; A36-L40 PolarHBondContact O-N 3.48Å |
| 37 | F | 63.2 | Low | 60.7 | Low | 56 Ų | 56 | 71.6 Ų | 71.6 | 25% | 0.246 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -60.9 | -49.2 | 172.4 | 161.3 | -121 | 0 | 0 | 0 | 112 | G33 L34 A39 L40 C41 P103 | G33-F37 PolarHBondContact O-N 2.86Å; L34-F37 HydrophobicContact CD1-CD1 4.37Å; L34-F37 PolarHBondContact O-N 2.87Å; F37-A39 VanDerWaalsContact C-N 3.32Å; F37-A39 PolarHBondContact O-N 2.89Å; F37-L40 PolarHBondContact O-N 3.12Å; F37-C41 HydrophobicContact CE2-CB 4.05Å; F37-C41 WeakPolarHBondContact O-CB 3.5Å; F37-C41 PolarHBondContact O-N 2.9Å; F37-P103 HydrophobicContact CD2-CB 3.57Å; F37-P103 HydrophobicContact CD2-CG 4.03Å; F37-P103 HydrophobicContact CE1-CB 4.29Å; F37-P103 HydrophobicContact CE2-CB 3.16Å; F37-P103 HydrophobicContact CE2-CG 4.01Å; F37-P103 HydrophobicContact CG-CB 4.33Å; F37-P103 HydrophobicContact CG-CG 4.35Å; F37-P103 HydrophobicContact CZ-CB 3.56Å; F37-P103 HydrophobicContact CZ-CG 4.25Å |
| 38 | H | 64.9 | Low | 60.9 | Low | 100 Ų | 100 | 68.8 Ų | 68.8 | 46% | 0.463 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.6 | -40.7 | 177.6 | -73.7 | -61.7 | 0 | 0 | 0 | 112.2 | L34 A35 C41 L42 | L34-H38 PolarHBondContact O-CD2 3.25Å; L34-H38 PolarHBondContact O-N 3.1Å; A35-H38 PolarHBondContact O-N 3.04Å; H38-C41 PolarHBondContact O-N 3.09Å; H38-L42 PolarHBondContact O-N 3.28Å |
| 39 | A | 64.8 | Low | 60.9 | Low | 54 Ų | 54 | 68.9 Ų | 68.9 | 45% | 0.446 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.1 | -43.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A35 A36 F37 L42 L43 | A35-A39 WeakPolarHBondContact O-CB 3.42Å; A35-A39 PolarHBondContact O-N 2.94Å; A36-A39 PolarHBondContact O-N 3.01Å; F37-A39 VanDerWaalsContact C-N 3.32Å; F37-A39 PolarHBondContact O-N 2.89Å; A39-L42 PolarHBondContact O-N 2.84Å; A39-L43 WeakPolarHBondContact O-CB 3.46Å; A39-L43 PolarHBondContact O-N 3.29Å |
| 40 | L | 64.4 | Low | 60.7 | Low | 41 Ų | 41 | 75.5 Ų | 75.5 | 22% | 0.215 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -63.5 | -43.3 | 175.7 | 179 | 66.7 | 0 | 0 | 0 | 112.1 | A36 F37 L42 L43 L44 L65 | A36-L40 WeakPolarHBondContact O-CB 3.41Å; A36-L40 PolarHBondContact O-N 3.48Å; F37-L40 PolarHBondContact O-N 3.12Å; L40-L42 VanDerWaalsContact C-N 3.35Å; L40-L42 PolarHBondContact O-N 3.21Å; L40-L43 WeakPolarHBondContact O-CB 3.5Å; L40-L43 PolarHBondContact O-N 2.89Å; L40-L43 VanDerWaalsContact O-N 3.17Å; L40-L44 HydrophobicContact CD1-CD1 4.28Å; L40-L44 HydrophobicContact CD1-CG 4.27Å; L40-L44 HydrophobicContact CG-CD1 4.06Å; L40-L44 HydrophobicContact CG-CG 4.45Å; L40-L44 WeakPolarHBondContact O-CG 3.47Å; L40-L44 PolarHBondContact O-N 2.9Å; L40-L65 HydrophobicContact CD1-CD1 4.42Å; L40-L65 HydrophobicContact CD2-CD1 3.6Å; L40-L65 HydrophobicContact CD2-CD2 4.48Å |
| 41 | C | 62.3 | Low | 60.6 | Low | 47 Ų | 47 | 74.5 Ų | 74.5 | 32% | 0.318 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63 | -41.7 | 179 | -166.8 | 0 | 0 | 0 | 0 | 111.7 | F37 H38 T45 | F37-C41 HydrophobicContact CE2-CB 4.05Å; F37-C41 WeakPolarHBondContact O-CB 3.5Å; F37-C41 PolarHBondContact O-N 2.9Å; H38-C41 PolarHBondContact O-N 3.09Å; C41-T45 WeakPolarHBondContact O-CB 3.36Å; C41-T45 PolarHBondContact O-N 3.36Å; C41-T45 VanDerWaalsContact O-N 3.1Å; C41-T45 PolarHBondContact O-OG1 3.38Å |
| 42 | L | 64.7 | Low | 60.2 | Low | 113 Ų | 113 | 82.7 Ų | 82.7 | 59% | 0.592 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -63.7 | -44.5 | 170.4 | -78.4 | 165 | 0 | 0 | 0 | 111.6 | H38 A39 L40 L44 T45 C46 | H38-L42 PolarHBondContact O-N 3.28Å; A39-L42 PolarHBondContact O-N 2.84Å; L40-L42 VanDerWaalsContact C-N 3.35Å; L40-L42 PolarHBondContact O-N 3.21Å; L42-L44 PolarHBondContact O-N 3.05Å; L42-T45 PolarHBondContact O-N 3Å; L42-C46 WeakPolarHBondContact O-CB 3.47Å; L42-C46 PolarHBondContact O-N 3.39Å; L42-C46 PolarHBondContact O-SG 2.93Å; L42-C46 VanDerWaalsContact O-SG 3.38Å |
| 43 | L | 62.6 | Low | 59.9 | Low | 104 Ų | 104 | 88.4 Ų | 88.4 | 55% | 0.545 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.1 | -48 | 178 | -128.8 | 85.1 | 0 | 0 | 0 | 111.5 | A39 L40 T45 C46 L47 | A39-L43 WeakPolarHBondContact O-CB 3.46Å; A39-L43 PolarHBondContact O-N 3.29Å; L40-L43 WeakPolarHBondContact O-CB 3.5Å; L40-L43 PolarHBondContact O-N 2.89Å; L40-L43 VanDerWaalsContact O-N 3.17Å; L43-T45 VanDerWaalsContact C-N 3.3Å; L43-T45 PolarHBondContact O-N 3.45Å; L43-C46 PolarHBondContact O-N 3.31Å; L43-L47 HydrophobicContact CD2-CD1 4.36Å; L43-L47 VanDerWaalsContact O-CB 3.22Å; L43-L47 WeakPolarHBondContact O-CB 3.04Å; L43-L47 WeakPolarHBondContact O-CG 3.48Å; L43-L47 PolarHBondContact O-N 3.28Å |
| 44 | L | 61.2 | Low | 59.3 | Low | 26 Ų | 26 | 88.8 Ų | 88.8 | 14% | 0.136 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -61.8 | -38.6 | 178.4 | -70.3 | 170.7 | 0 | 0 | 0 | 111.6 | L40 L42 S48 N107 | L40-L44 HydrophobicContact CD1-CD1 4.28Å; L40-L44 HydrophobicContact CD1-CG 4.27Å; L40-L44 HydrophobicContact CG-CD1 4.06Å; L40-L44 HydrophobicContact CG-CG 4.45Å; L40-L44 WeakPolarHBondContact O-CG 3.47Å; L40-L44 PolarHBondContact O-N 2.9Å; L42-L44 PolarHBondContact O-N 3.05Å; L44-S48 WeakPolarHBondContact O-CB 3.3Å; L44-S48 PolarHBondContact O-N 3.19Å; L44-N107 HydrophobicContact CD1-CB 4.15Å; L44-N107 WeakPolarHBondContact CD1-OD1 3.49Å |
| 45 | T | 60.4 | Low | 58.5 | Low | 89 Ų | 89 | 90.3 Ų | 90.3 | 55% | 0.546 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.8 | -45.5 | 176.1 | -57 | 0 | 0 | 0 | 0 | 112.3 | C41 L42 L43 S49 | C41-T45 WeakPolarHBondContact O-CB 3.36Å; C41-T45 PolarHBondContact O-N 3.36Å; C41-T45 VanDerWaalsContact O-N 3.1Å; C41-T45 PolarHBondContact O-OG1 3.38Å; L42-T45 PolarHBondContact O-N 3Å; L43-T45 VanDerWaalsContact C-N 3.3Å; L43-T45 PolarHBondContact O-N 3.45Å; T45-S49 PolarHBondContact O-N 3.42Å; T45-S49 PolarHBondContact O-OG 2.74Å |
| 46 | C | 58.7 | Low | 58.2 | Low | 82 Ų | 82 | 94.1 Ų | 94.1 | 55% | 0.554 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -72.6 | -25.9 | 177.9 | -68.7 | 0 | 0 | 0 | 0 | 113.4 | L42 L43 S49 | L42-C46 WeakPolarHBondContact O-CB 3.47Å; L42-C46 PolarHBondContact O-N 3.39Å; L42-C46 PolarHBondContact O-SG 2.93Å; L42-C46 VanDerWaalsContact O-SG 3.38Å; L43-C46 PolarHBondContact O-N 3.31Å; C46-S49 PolarHBondContact O-OG 3.44Å |
| 47 | L | 57.4 | Low | 57.8 | Low | 62 Ų | 62 | 92.9 Ų | 92.9 | 33% | 0.325 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -74.9 | -55.8 | 170.8 | -73.8 | 170.8 | 0 | 0 | 0 | 109.8 | L43 S49 R50 L54 | L43-L47 HydrophobicContact CD2-CD1 4.36Å; L43-L47 VanDerWaalsContact O-CB 3.22Å; L43-L47 WeakPolarHBondContact O-CB 3.04Å; L43-L47 WeakPolarHBondContact O-CG 3.48Å; L43-L47 PolarHBondContact O-N 3.28Å; L47-S49 PolarHBondContact O-N 3.02Å; L47-R50 PolarHBondContact O-N 2.89Å; L47-L54 HydrophobicContact CB-CD2 4.15Å; L47-L54 HydrophobicContact CD2-CD2 4.25Å; L47-L54 WeakPolarHBondContact O-CD1 3.29Å; L47-L54 WeakPolarHBondContact O-CD2 3.37Å |
| 48 | S | 55.5 | Low | 57.5 | Low | 56 Ų | 56 | 92.7 Ų | 92.7 | 39% | 0.392 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -50.3 | -35.2 | -176 | -171.7 | 0 | 0 | 0 | 0 | 113.8 | L44 R50 L54 | L44-S48 WeakPolarHBondContact O-CB 3.3Å; L44-S48 PolarHBondContact O-N 3.19Å; S48-R50 VanDerWaalsContact C-N 3.28Å; S48-R50 PolarHBondContact O-N 3.18Å; S48-L54 WeakPolarHBondContact O-CD1 3.24Å |
| 49 | S | 53.7 | Low | 56.7 | Low | 93 Ų | 93 | 94.7 Ų | 94.7 | 65% | 0.65 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | 2.9 | -178.8 | 43.8 | 0 | 0 | 0 | 0 | 116.5 | T45 C46 L47 | T45-S49 PolarHBondContact O-N 3.42Å; T45-S49 PolarHBondContact O-OG 2.74Å; C46-S49 PolarHBondContact O-OG 3.44Å; L47-S49 PolarHBondContact O-N 3.02Å |
| 50 | R | 54.2 | Low | 56.6 | Low | 204 Ų | 204 | 97.1 Ų | 97.1 | 77% | 0.77 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -123.2 | 35.5 | -166.4 | -148.3 | 152.4 | -175.5 | 158 | 0.2 | 118.7 | L47 S48 | L47-R50 PolarHBondContact O-N 2.89Å; S48-R50 VanDerWaalsContact C-N 3.28Å; S48-R50 PolarHBondContact O-N 3.18Å |
| 51 | S | 54.1 | Low | 56.2 | Low | 97 Ų | 97 | 96.6 Ų | 96.6 | 68% | 0.678 | 50% | 0.497 | S | S | * | . | trans | 71 | 176.4 | 160.3 | -54.5 | 0 | 0 | 0 | 0 | 118.6 | R53 L54 | S51-R53 VanDerWaalsContact C-N 3.27Å; S51-R53 PolarHBondContact O-N 2.98Å; S51-L54 VanDerWaalsContact O-CB 3.29Å; S51-L54 WeakPolarHBondContact O-CB 2.97Å; S51-L54 VanDerWaalsContact O-CD1 3.31Å; S51-L54 WeakPolarHBondContact O-CD1 3.33Å; S51-L54 WeakPolarHBondContact O-CG 3.09Å; S51-L54 PolarHBondContact O-N 3.49Å | ||
| 52 | Y | 50.2 | Low | 56.1 | Low | 193 Ų | 193 | 97.4 Ų | 97.4 | 76% | 0.757 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -41.2 | -36.4 | -165.6 | -175 | -95.2 | 0 | 0 | 0 | 117.6 | L54 Q55 | Y52-L54 PolarHBondContact O-N 2.85Å; Y52-Q55 PolarHBondContact O-N 3.22Å; Y52-Q55 VanDerWaalsContact O-N 3.12Å |
| 53 | R | 51.9 | Low | 55.8 | Low | 233 Ų | 233 | 96 Ų | 96 | 88% | 0.879 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -24 | 176.9 | -67.3 | -175.7 | 177.8 | -168.2 | -1.3 | 113.4 | S51 Q55 | S51-R53 VanDerWaalsContact C-N 3.27Å; S51-R53 PolarHBondContact O-N 2.98Å; R53-Q55 PolarHBondContact O-N 3.32Å; R53-Q55 VanDerWaalsContact O-N 3.1Å |
| 54 | L | 51.3 | Low | 55.5 | Low | 30 Ų | 30 | 95.7 Ų | 95.7 | 16% | 0.157 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -58.8 | -15.9 | 175.4 | -67.4 | 167.2 | 0 | 0 | 0 | 114.9 | L47 S48 S51 Y52 I56 G57 H58 | L47-L54 HydrophobicContact CB-CD2 4.15Å; L47-L54 HydrophobicContact CD2-CD2 4.25Å; L47-L54 WeakPolarHBondContact O-CD1 3.29Å; L47-L54 WeakPolarHBondContact O-CD2 3.37Å; S48-L54 WeakPolarHBondContact O-CD1 3.24Å; S51-L54 VanDerWaalsContact O-CB 3.29Å; S51-L54 WeakPolarHBondContact O-CB 2.97Å; S51-L54 VanDerWaalsContact O-CD1 3.31Å; S51-L54 WeakPolarHBondContact O-CD1 3.33Å; S51-L54 WeakPolarHBondContact O-CG 3.09Å; S51-L54 PolarHBondContact O-N 3.49Å; Y52-L54 PolarHBondContact O-N 2.85Å; L54-I56 VanDerWaalsContact C-N 3.28Å; L54-I56 PolarHBondContact O-N 3.46Å; L54-G57 CarbonylContact O-C 3.56Å; L54-G57 PolarHBondContact O-N 2.78Å; L54-H58 WeakPolarHBondContact O-CB 3.31Å; L54-H58 PolarHBondContact O-N 3.41Å |
| 55 | Q | 47.3 | Very low | 55.4 | Low | 101 Ų | 101 | 96.1 Ų | 96.1 | 47% | 0.472 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.3 | -35.5 | -177 | -168.9 | 156.6 | -19 | 0 | 0 | 113.1 | Y52 R53 F59 | Y52-Q55 PolarHBondContact O-N 3.22Å; Y52-Q55 VanDerWaalsContact O-N 3.12Å; R53-Q55 PolarHBondContact O-N 3.32Å; R53-Q55 VanDerWaalsContact O-N 3.1Å; Q55-F59 PolarHBondContact O-N 3.17Å |
| 56 | I | 55.7 | Low | 55.4 | Low | 135 Ų | 135 | 96.6 Ų | 96.6 | 69% | 0.692 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -79.7 | -38.5 | 173.6 | -69.1 | 167.2 | 0 | 0 | 0 | 110.5 | L54 H58 F59 L60 | L54-I56 VanDerWaalsContact C-N 3.28Å; L54-I56 PolarHBondContact O-N 3.46Å; I56-H58 VanDerWaalsContact C-N 3.34Å; I56-H58 PolarHBondContact O-N 3.1Å; I56-F59 PolarHBondContact O-N 2.84Å; I56-L60 PolarHBondContact O-N 3.23Å |
| 57 | G | 56.1 | Low | 55.3 | Low | 34 Ų | 34 | 100.2 Ų | 100.2 | 35% | 0.351 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.2 | -38.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L54 C61 | L54-G57 CarbonylContact O-C 3.56Å; L54-G57 PolarHBondContact O-N 2.78Å; G57-C61 WeakPolarHBondContact O-CB 3.41Å; G57-C61 PolarHBondContact O-N 3.34Å |
| 58 | H | 55.4 | Low | 55.2 | Low | 52 Ų | 52 | 99.8 Ų | 99.8 | 24% | 0.241 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -62.9 | -44.4 | 173.7 | -116.6 | 72.3 | 0 | 0 | 0 | 111.3 | L54 I56 C61 L62 | L54-H58 WeakPolarHBondContact O-CB 3.31Å; L54-H58 PolarHBondContact O-N 3.41Å; I56-H58 VanDerWaalsContact C-N 3.34Å; I56-H58 PolarHBondContact O-N 3.1Å; H58-C61 PolarHBondContact O-N 3.42Å; H58-L62 VanDerWaalsContact O-CB 3.28Å; H58-L62 WeakPolarHBondContact O-CB 3.4Å; H58-L62 WeakPolarHBondContact O-CG 3.11Å; H58-L62 PolarHBondContact O-N 2.95Å |
| 59 | F | 49.7 | Very low | 55.2 | Low | 142 Ų | 142 | 98.6 Ų | 98.6 | 62% | 0.623 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.4 | -46.6 | 179.6 | -173 | -94.5 | 0 | 0 | 0 | 111.3 | Q55 I56 L62 V63 | Q55-F59 PolarHBondContact O-N 3.17Å; I56-F59 PolarHBondContact O-N 2.84Å; F59-L62 PolarHBondContact O-N 3.45Å; F59-V63 HydrophobicContact CE1-CG2 4.24Å; F59-V63 HydrophobicContact CZ-CG2 4.46Å; F59-V63 WeakPolarHBondContact O-CG2 3.17Å; F59-V63 PolarHBondContact O-N 2.88Å; F59-V63 VanDerWaalsContact O-N 3.12Å |
| 60 | L | 61.6 | Low | 55.1 | Low | 106 Ų | 106 | 100.3 Ų | 100.3 | 56% | 0.555 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.2 | -44.4 | 176.5 | -137.3 | 80.3 | 0 | 0 | 0 | 111.6 | I56 V63 I64 | I56-L60 PolarHBondContact O-N 3.23Å; L60-V63 PolarHBondContact O-N 2.96Å; L60-I64 HydrophobicContact CG-CD1 4.43Å; L60-I64 WeakPolarHBondContact O-CB 3.22Å; L60-I64 VanDerWaalsContact O-CG1 3.23Å; L60-I64 WeakPolarHBondContact O-CG1 3.21Å; L60-I64 PolarHBondContact O-N 3.39Å |
| 61 | C | 56.9 | Low | 55 | Low | 29 Ų | 29 | 98.1 Ų | 98.1 | 20% | 0.196 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -66.6 | -35.9 | 179.4 | -171.6 | 0 | 0 | 0 | 0 | 112.5 | G57 H58 L65 | G57-C61 WeakPolarHBondContact O-CB 3.41Å; G57-C61 PolarHBondContact O-N 3.34Å; H58-C61 PolarHBondContact O-N 3.42Å; C61-L65 WeakPolarHBondContact O-CB 3.37Å; C61-L65 PolarHBondContact O-N 2.91Å |
| 62 | L | 59.4 | Low | 55.2 | Low | 65 Ų | 65 | 97.1 Ų | 97.1 | 34% | 0.34 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.4 | -50.7 | 171.8 | -94.1 | 165.9 | 0 | 0 | 0 | 111.8 | H58 F59 I64 L65 V66 I111 | H58-L62 VanDerWaalsContact O-CB 3.28Å; H58-L62 WeakPolarHBondContact O-CB 3.4Å; H58-L62 WeakPolarHBondContact O-CG 3.11Å; H58-L62 PolarHBondContact O-N 2.95Å; F59-L62 PolarHBondContact O-N 3.45Å; L62-I64 PolarHBondContact O-N 3.47Å; L62-L65 PolarHBondContact O-N 2.9Å; L62-V66 WeakPolarHBondContact O-CG2 3.34Å; L62-V66 PolarHBondContact O-N 2.99Å; L62-I111 HydrophobicContact CD1-CG2 3.9Å; L62-I111 HydrophobicContact CD2-CD1 4.14Å; L62-I111 HydrophobicContact CD2-CG2 3.96Å; L62-I111 HydrophobicContact CG-CG2 4.13Å |
| 63 | V | 58.2 | Low | 55.7 | Low | 84 Ų | 84 | 93.6 Ų | 93.6 | 51% | 0.509 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.4 | -45.5 | 179.9 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | F59 L60 Y67 | F59-V63 HydrophobicContact CE1-CG2 4.24Å; F59-V63 HydrophobicContact CZ-CG2 4.46Å; F59-V63 WeakPolarHBondContact O-CG2 3.17Å; F59-V63 PolarHBondContact O-N 2.88Å; F59-V63 VanDerWaalsContact O-N 3.12Å; L60-V63 PolarHBondContact O-N 2.96Å; V63-Y67 VanDerWaalsContact O-CB 3.32Å; V63-Y67 WeakPolarHBondContact O-CB 3.39Å; V63-Y67 PolarHBondContact O-N 2.89Å |
| 64 | I | 56.8 | Low | 55.8 | Low | 96 Ų | 96 | 88.4 Ų | 88.4 | 49% | 0.492 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.3 | -42.2 | 177.3 | -65.8 | 167.7 | 0 | 0 | 0 | 111.1 | L60 L62 Y67 C68 | L60-I64 HydrophobicContact CG-CD1 4.43Å; L60-I64 WeakPolarHBondContact O-CB 3.22Å; L60-I64 VanDerWaalsContact O-CG1 3.23Å; L60-I64 WeakPolarHBondContact O-CG1 3.21Å; L60-I64 PolarHBondContact O-N 3.39Å; L62-I64 PolarHBondContact O-N 3.47Å; I64-Y67 PolarHBondContact O-N 2.89Å; I64-C68 WeakPolarHBondContact O-CB 3.19Å; I64-C68 PolarHBondContact O-N 3.15Å; I64-C68 PolarHBondContact O-SG 2.99Å |
| 65 | L | 59.9 | Low | 56 | Low | 35 Ų | 35 | 88.7 Ų | 88.7 | 18% | 0.183 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -68.9 | -39.7 | -178.5 | -177 | 59.7 | 0 | 0 | 0 | 112.6 | L40 C61 L62 A69 | L40-L65 HydrophobicContact CD1-CD1 4.42Å; L40-L65 HydrophobicContact CD2-CD1 3.6Å; L40-L65 HydrophobicContact CD2-CD2 4.48Å; C61-L65 WeakPolarHBondContact O-CB 3.37Å; C61-L65 PolarHBondContact O-N 2.91Å; L62-L65 PolarHBondContact O-N 2.9Å; L65-A69 WeakPolarHBondContact O-CB 3.47Å; L65-A69 PolarHBondContact O-N 3.36Å |
| 66 | V | 59.1 | Low | 56.3 | Low | 99 Ų | 99 | 86.9 Ų | 86.9 | 60% | 0.6 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -64 | -45.8 | 174.3 | 171.3 | 0 | 0 | 0 | 0 | 110.6 | L62 C68 A69 E70 | L62-V66 WeakPolarHBondContact O-CG2 3.34Å; L62-V66 PolarHBondContact O-N 2.99Å; V66-C68 PolarHBondContact O-N 3.42Å; V66-A69 WeakPolarHBondContact O-CB 3.31Å; V66-A69 PolarHBondContact O-N 3.12Å; V66-E70 PolarHBondContact O-N 3.43Å |
| 67 | Y | 57.4 | Low | 56.2 | Low | 159 Ų | 159 | 83.8 Ų | 83.8 | 62% | 0.624 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -61.4 | -42.8 | 176.9 | -178.8 | -108.6 | 0 | 0 | 0 | 112.7 | V63 I64 A69 E70 Y71 | V63-Y67 VanDerWaalsContact O-CB 3.32Å; V63-Y67 WeakPolarHBondContact O-CB 3.39Å; V63-Y67 PolarHBondContact O-N 2.89Å; I64-Y67 PolarHBondContact O-N 2.89Å; Y67-A69 VanDerWaalsContact C-N 3.35Å; Y67-A69 PolarHBondContact O-N 2.92Å; Y67-E70 PolarHBondContact O-N 2.72Å; Y67-Y71 PolarHBondContact O-N 2.84Å |
| 68 | C | 55.4 | Low | 56.2 | Low | 53 Ų | 53 | 89.3 Ų | 89.3 | 36% | 0.358 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -69.8 | -28.4 | 175.7 | -70.3 | 0 | 0 | 0 | 0 | 113.4 | I64 V66 I72 | I64-C68 WeakPolarHBondContact O-CB 3.19Å; I64-C68 PolarHBondContact O-N 3.15Å; I64-C68 PolarHBondContact O-SG 2.99Å; V66-C68 PolarHBondContact O-N 3.42Å; C68-I72 WeakPolarHBondContact O-CB 3.3Å; C68-I72 VanDerWaalsContact O-CG1 3.24Å; C68-I72 WeakPolarHBondContact O-CG1 3.42Å; C68-I72 PolarHBondContact O-N 3.45Å |
| 69 | A | 54.3 | Low | 56 | Low | 30 Ų | 30 | 90.7 Ų | 90.7 | 25% | 0.248 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -65.8 | -42.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L65 V66 Y67 N73 L104 | L65-A69 WeakPolarHBondContact O-CB 3.47Å; L65-A69 PolarHBondContact O-N 3.36Å; V66-A69 WeakPolarHBondContact O-CB 3.31Å; V66-A69 PolarHBondContact O-N 3.12Å; Y67-A69 VanDerWaalsContact C-N 3.35Å; Y67-A69 PolarHBondContact O-N 2.92Å; A69-N73 WeakPolarHBondContact O-CB 3.5Å; A69-N73 PolarHBondContact O-N 2.9Å; A69-L104 HydrophobicContact CB-CD2 3.77Å |
| 70 | E | 53.3 | Low | 56 | Low | 130 Ų | 130 | 92.3 Ų | 92.3 | 61% | 0.607 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61.6 | -50.6 | 174.5 | -169.5 | 165.1 | -133.8 | 0 | 0 | 111 | V66 Y67 I72 N73 E74 | V66-E70 PolarHBondContact O-N 3.43Å; Y67-E70 PolarHBondContact O-N 2.72Å; E70-I72 PolarHBondContact O-N 3.01Å; E70-N73 WeakPolarHBondContact O-CB 3.28Å; E70-N73 PolarHBondContact O-N 3.24Å; E70-E74 PolarHBondContact O-N 3.42Å |
| 71 | Y | 51.7 | Low | 55.5 | Low | 158 Ų | 158 | 97.1 Ų | 97.1 | 62% | 0.62 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.1 | -37.8 | 178.8 | -171.1 | -99.6 | 0 | 0 | 0 | 113.8 | Y67 A75 | Y67-Y71 PolarHBondContact O-N 2.84Å; Y71-A75 WeakPolarHBondContact O-CB 3.43Å; Y71-A75 PolarHBondContact O-N 3.46Å |
| 72 | I | 58.2 | Low | 55 | Low | 75 Ų | 75 | 102.8 Ų | 102.8 | 39% | 0.385 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -73.7 | -34.9 | 178 | -67.3 | 169.6 | 0 | 0 | 0 | 111.3 | C68 E70 A75 A76 F100 | C68-I72 WeakPolarHBondContact O-CB 3.3Å; C68-I72 VanDerWaalsContact O-CG1 3.24Å; C68-I72 WeakPolarHBondContact O-CG1 3.42Å; C68-I72 PolarHBondContact O-N 3.45Å; E70-I72 PolarHBondContact O-N 3.01Å; I72-A75 PolarHBondContact O-N 3.49Å; I72-A76 WeakPolarHBondContact O-CB 3.49Å; I72-A76 PolarHBondContact O-N 3.39Å; I72-F100 HydrophobicContact CB-CE1 4.41Å; I72-F100 HydrophobicContact CB-CZ 4.48Å; I72-F100 HydrophobicContact CD1-CE1 4.42Å; I72-F100 HydrophobicContact CD1-CZ 3.86Å; I72-F100 HydrophobicContact CG2-CD1 4.5Å; I72-F100 HydrophobicContact CG2-CE1 3.7Å; I72-F100 HydrophobicContact CG2-CE2 4.45Å; I72-F100 HydrophobicContact CG2-CZ 3.69Å |
| 73 | N | 59.3 | Low | 54.4 | Low | 120 Ų | 120 | 104 Ų | 104 | 64% | 0.642 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.3 | -44.9 | 174.2 | -169.8 | 56.9 | 0 | 0 | 0 | 111.2 | A69 E70 A76 A77 | A69-N73 WeakPolarHBondContact O-CB 3.5Å; A69-N73 PolarHBondContact O-N 2.9Å; E70-N73 WeakPolarHBondContact O-CB 3.28Å; E70-N73 PolarHBondContact O-N 3.24Å; N73-A76 PolarHBondContact O-N 2.85Å; N73-A77 WeakPolarHBondContact O-CB 3.39Å; N73-A77 PolarHBondContact O-N 3.49Å |
| 74 | E | 55.6 | Low | 53.6 | Low | 124 Ų | 124 | 104.6 Ų | 104.6 | 58% | 0.579 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.4 | -43.9 | 172 | -70.5 | -159.9 | 144 | 0 | 0 | 112.5 | E70 A76 A77 M78 | E70-E74 PolarHBondContact O-N 3.42Å; E74-A76 VanDerWaalsContact C-N 3.28Å; E74-A76 PolarHBondContact O-N 2.83Å; E74-A77 CarbonylContact O-C 3.59Å; E74-A77 PolarHBondContact O-N 3.38Å; E74-A77 VanDerWaalsContact O-N 3.12Å; E74-M78 WeakPolarHBondContact O-CB 3.48Å; E74-M78 WeakPolarHBondContact O-CG 3.42Å; E74-M78 PolarHBondContact O-N 2.86Å |
| 75 | A | 53.9 | Low | 53.1 | Low | 36 Ų | 36 | 109.5 Ų | 109.5 | 30% | 0.298 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61 | -37 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y71 I72 N79 | Y71-A75 WeakPolarHBondContact O-CB 3.43Å; Y71-A75 PolarHBondContact O-N 3.46Å; I72-A75 PolarHBondContact O-N 3.49Å; A75-N79 VanDerWaalsContact O-CB 3.31Å; A75-N79 WeakPolarHBondContact O-CB 3.36Å; A75-N79 PolarHBondContact O-N 3.31Å; A75-N79 PolarHBondContact O-ND2 2.97Å |
| 76 | A | 55.4 | Low | 52.2 | Low | 62 Ų | 62 | 117.4 Ų | 117.4 | 51% | 0.512 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -67.9 | -45.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I72 N73 E74 M78 N79 W80 | I72-A76 WeakPolarHBondContact O-CB 3.49Å; I72-A76 PolarHBondContact O-N 3.39Å; N73-A76 PolarHBondContact O-N 2.85Å; E74-A76 VanDerWaalsContact C-N 3.28Å; E74-A76 PolarHBondContact O-N 2.83Å; A76-M78 PolarHBondContact O-N 2.92Å; A76-N79 PolarHBondContact O-N 2.73Å; A76-W80 PolarHBondContact O-N 3.47Å; A76-W80 VanDerWaalsContact O-N 3.14Å |
| 77 | A | 52.8 | Low | 51.6 | Low | 70 Ų | 70 | 122 Ų | 122 | 58% | 0.579 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -64.6 | -22.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | N73 E74 | N73-A77 WeakPolarHBondContact O-CB 3.39Å; N73-A77 PolarHBondContact O-N 3.49Å; E74-A77 CarbonylContact O-C 3.59Å; E74-A77 PolarHBondContact O-N 3.38Å; E74-A77 VanDerWaalsContact O-N 3.12Å |
| 78 | M | 55.6 | Low | 51.1 | Low | 150 Ų | 150 | 123 Ų | 123 | 74% | 0.739 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -89 | -39.2 | 174.6 | -70.1 | -102.9 | -79.7 | 0 | 0 | 112.8 | E74 A76 | E74-M78 WeakPolarHBondContact O-CB 3.48Å; E74-M78 WeakPolarHBondContact O-CG 3.42Å; E74-M78 PolarHBondContact O-N 2.86Å; A76-M78 PolarHBondContact O-N 2.92Å |
| 79 | N | 51.9 | Low | 50.6 | Low | 82 Ų | 82 | 123.9 Ų | 123.9 | 44% | 0.439 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -95.2 | 6.7 | -173.2 | -68.6 | -82.1 | 0 | 0 | 0 | 115 | A75 A76 R81 L82 | A75-N79 VanDerWaalsContact O-CB 3.31Å; A75-N79 WeakPolarHBondContact O-CB 3.36Å; A75-N79 PolarHBondContact O-N 3.31Å; A75-N79 PolarHBondContact O-ND2 2.97Å; A76-N79 PolarHBondContact O-N 2.73Å; N79-R81 PolarHBondContact O-N 3.3Å; N79-L82 PolarHBondContact O-N 3.34Å |
| 80 | W | 49.7 | Very low | 50.2 | Low | 176 Ų | 176 | 130.3 Ų | 130.3 | 67% | 0.667 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -39.7 | -38.4 | 172.9 | 64.8 | -80.5 | 0 | 0 | 0 | 114.3 | A76 | A76-W80 PolarHBondContact O-N 3.47Å; A76-W80 VanDerWaalsContact O-N 3.14Å |
| 81 | R | 50.4 | Low | 50 | Low | 206 Ų | 206 | 128 Ų | 128 | 78% | 0.777 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | -80.8 | -11.1 | -173.5 | -160.7 | 168.2 | 172.1 | 178.7 | -3.9 | 114.5 | N79 | N79-R81 PolarHBondContact O-N 3.3Š|
| 82 | L | 47.4 | Very low | 49.8 | Very low | 149 Ų | 149 | 125.7 Ų | 125.7 | 78% | 0.78 | 62% | 0.615 | S | S | * | * | G | 310 helix | trans | -94 | -12.7 | 176.6 | -117.1 | 73 | 0 | 0 | 0 | 113.3 | N79 | N79-L82 PolarHBondContact O-N 3.34Š|
| 83 | F | 46.6 | Very low | 49.2 | Very low | 91 Ų | 91 | 124.9 Ų | 124.9 | 40% | 0.399 | 63% | 0.625 | S | S | . | * | S | Bend | trans | -101.3 | 0.1 | -152.8 | -134.7 | -89 | 0 | 0 | 0 | 117.8 | P29 W30 | P29-F83 HydrophobicContact CB-CE2 3.81Å; P29-F83 HydrophobicContact CB-CZ 4.04Å; P29-F83 HydrophobicContact CG-CE2 3.74Å; P29-F83 HydrophobicContact CG-CZ 4.22Å; W30-F83 HydrophobicContact CB-CE1 4.2Å; W30-F83 HydrophobicContact CB-CZ 4.17Å; W30-F83 AromaticContact CD1-CE1 3.95Å; W30-F83 HydrophobicContact CG-CE1 4.5Å |
| 84 | S | 41.4 | Very low | 48.9 | Very low | 96 Ų | 96 | 125.3 Ų | 125.3 | 67% | 0.671 | 63% | 0.625 | S | S | * | * | trans | 165.4 | 166.7 | 150.5 | 51.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 85 | K | 45.6 | Very low | 48.6 | Very low | 198 Ų | 198 | 125.2 Ų | 125.2 | 86% | 0.861 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -106.5 | 12.2 | -178.1 | -157.8 | 176.9 | 178 | -179.4 | 0 | 113.4 | ||
| 86 | Y | 41.3 | Very low | 48.5 | Very low | 201 Ų | 201 | 127.3 Ų | 127.3 | 79% | 0.788 | 63% | 0.628 | S | S | * | * | trans | -134.9 | 130.1 | -171.1 | -86.3 | -79.7 | 0 | 0 | 0 | 114.9 | Y88 | Y86-Y88 VanDerWaalsContact C-N 3.3Å; Y86-Y88 PolarHBondContact O-N 2.98Å | ||
| 87 | Q | 46.3 | Very low | 48.4 | Very low | 195 Ų | 195 | 127.2 Ų | 127.2 | 91% | 0.911 | 62% | 0.624 | S | S | * | * | trans | -80.6 | 62.1 | -173.3 | -169.7 | -177 | -26.6 | 0 | 0 | 112.6 | F89 | Q87-F89 PolarHBondContact O-N 3.31Š| ||
| 88 | Y | 47.4 | Very low | 48.5 | Very low | 180 Ų | 180 | 128.2 Ų | 128.2 | 71% | 0.706 | 62% | 0.618 | S | S | * | * | trans | -77.8 | 5.8 | 174 | -152.6 | -91.8 | 0 | 0 | 0 | 112.8 | Y86 R92 | Y86-Y88 VanDerWaalsContact C-N 3.3Å; Y86-Y88 PolarHBondContact O-N 2.98Å; Y88-R92 HydrophobicContact CD1-CG 4.04Å | ||
| 89 | F | 43.4 | Very low | 48.8 | Very low | 73 Ų | 73 | 124.3 Ų | 124.3 | 32% | 0.32 | 60% | 0.603 | S | S | . | * | -154.5 | 28.9 | -124.1 | -116.5 | 1.6 | 0 | 0 | 0 | 120.6 | Q87 S91 R92 F95 I96 | Q87-F89 PolarHBondContact O-N 3.31Å; F89-S91 PolarHBondContact O-N 3.28Å; F89-R92 HydrophobicContact CB-CB 3.48Å; F89-R92 VanDerWaalsContact CB-CB 3.48Å; F89-R92 HydrophobicContact CB-CG 3.67Å; F89-R92 HydrophobicContact CD1-CB 2.3Å; F89-R92 HydrophobicContact CD1-CG 2.3Å; F89-R92 HydrophobicContact CD2-CB 2.31Å; F89-R92 HydrophobicContact CD2-CG 2.31Å; F89-R92 HydrophobicContact CE1-CB 2.31Å; F89-R92 HydrophobicContact CE1-CG 2.31Å; F89-R92 HydrophobicContact CE2-CB 2.32Å; F89-R92 HydrophobicContact CE2-CG 2.3Å; F89-R92 VanDerWaalsContact CG-CA 3.41Å; F89-R92 HydrophobicContact CG-CB 2.3Å; F89-R92 HydrophobicContact CG-CG 2.31Å; F89-R92 HydrophobicContact CZ-CB 2.31Å; F89-R92 HydrophobicContact CZ-CG 2.31Å; F89-R92 PolarHBondContact O-N 2.9Å; F89-F95 HydrophobicContact CE1-CB 4.19Å; F89-F95 HydrophobicContact CE1-CD1 4.22Å; F89-F95 HydrophobicContact CZ-CD1 4.25Å; F89-I96 HydrophobicContact CE2-CD1 4.08Å; F89-I96 HydrophobicContact CE2-CG1 3.67Å; F89-I96 HydrophobicContact CZ-CD1 3.75Å; F89-I96 HydrophobicContact CZ-CG1 3.51Å | |||
| 90 | D | 47.1 | Very low | 48.8 | Very low | 164 Ų | 164 | 123.3 Ų | 123.3 | 88% | 0.877 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48 | -35.2 | 152.4 | -169.9 | 49.3 | 0 | 0 | 0 | 110.9 | ||
| 91 | S | 48 | Very low | 48.9 | Very low | 81 Ų | 81 | 118 Ų | 118 | 57% | 0.566 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -10.5 | 175.4 | -37.2 | 0 | 0 | 0 | 0 | 116.2 | F89 F95 | F89-S91 PolarHBondContact O-N 3.28Å; S91-F95 WeakPolarHBondContact O-CB 3.45Å; S91-F95 PolarHBondContact O-N 2.87Å |
| 92 | R | 47.8 | Very low | 49.2 | Very low | 110 Ų | 110 | 110.2 Ų | 110.2 | 42% | 0.415 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -86.4 | -34 | -174.1 | -66.1 | -175.1 | -178.8 | -142 | -3.2 | 110.9 | Y88 F89 M94 F95 I96 | Y88-R92 HydrophobicContact CD1-CG 4.04Å; F89-R92 HydrophobicContact CB-CB 3.48Å; F89-R92 VanDerWaalsContact CB-CB 3.48Å; F89-R92 HydrophobicContact CB-CG 3.67Å; F89-R92 HydrophobicContact CD1-CB 2.3Å; F89-R92 HydrophobicContact CD1-CG 2.3Å; F89-R92 HydrophobicContact CD2-CB 2.31Å; F89-R92 HydrophobicContact CD2-CG 2.31Å; F89-R92 HydrophobicContact CE1-CB 2.31Å; F89-R92 HydrophobicContact CE1-CG 2.31Å; F89-R92 HydrophobicContact CE2-CB 2.32Å; F89-R92 HydrophobicContact CE2-CG 2.3Å; F89-R92 VanDerWaalsContact CG-CA 3.41Å; F89-R92 HydrophobicContact CG-CB 2.3Å; F89-R92 HydrophobicContact CG-CG 2.31Å; F89-R92 HydrophobicContact CZ-CB 2.31Å; F89-R92 HydrophobicContact CZ-CG 2.31Å; F89-R92 PolarHBondContact O-N 2.9Å; R92-M94 PolarHBondContact O-N 3.45Å; R92-M94 VanDerWaalsContact O-N 3.13Å; R92-F95 PolarHBondContact O-N 3.48Å; R92-F95 VanDerWaalsContact O-N 3.15Å; R92-I96 HydrophobicContact CB-CG1 4.24Å; R92-I96 WeakPolarHBondContact O-CB 3.23Å; R92-I96 PolarHBondContact O-N 3.05Å |
| 93 | G | 46.2 | Very low | 49.5 | Very low | 58 Ų | 58 | 104 Ų | 104 | 60% | 0.598 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -55.5 | -30.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | S97 | G93-S97 VanDerWaalsContact O-CB 3.28Å; G93-S97 WeakPolarHBondContact O-CB 3.28Å; G93-S97 PolarHBondContact O-OG 2.89Å |
| 94 | M | 52.4 | Low | 49.7 | Very low | 129 Ų | 129 | 102 Ų | 102 | 64% | 0.635 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -87.5 | -47 | 169.3 | -147.5 | -170.7 | -61.9 | 0 | 0 | 113 | R92 S97 I98 | R92-M94 PolarHBondContact O-N 3.45Å; R92-M94 VanDerWaalsContact O-N 3.13Å; M94-S97 CarbonylContact O-C 3.51Å; M94-S97 PolarHBondContact O-N 3.46Å; M94-I98 HydrophobicContact CG-CD1 3.72Å; M94-I98 HydrophobicContact CG-CG1 4.38Å; M94-I98 VanDerWaalsContact O-CB 3.29Å; M94-I98 WeakPolarHBondContact O-CB 3.25Å; M94-I98 VanDerWaalsContact O-CG1 3.26Å; M94-I98 WeakPolarHBondContact O-CG1 3.35Å; M94-I98 PolarHBondContact O-N 3.43Å; M94-I98 HydrophobicContact SD-CD1 4.09Å |
| 95 | F | 49.4 | Very low | 50.4 | Low | 123 Ų | 123 | 103 Ų | 103 | 54% | 0.539 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -69 | -41.8 | -174.1 | 179.4 | -96.5 | 0 | 0 | 0 | 114.3 | F89 S91 R92 S97 I98 V99 | F89-F95 HydrophobicContact CE1-CB 4.19Å; F89-F95 HydrophobicContact CE1-CD1 4.22Å; F89-F95 HydrophobicContact CZ-CD1 4.25Å; S91-F95 WeakPolarHBondContact O-CB 3.45Å; S91-F95 PolarHBondContact O-N 2.87Å; R92-F95 PolarHBondContact O-N 3.48Å; R92-F95 VanDerWaalsContact O-N 3.15Å; F95-S97 VanDerWaalsContact C-N 3.34Å; F95-I98 PolarHBondContact O-N 2.99Å; F95-V99 HydrophobicContact CD1-CG2 4.12Å; F95-V99 HydrophobicContact CD2-CG2 4.16Å; F95-V99 HydrophobicContact CE1-CG2 3.75Å; F95-V99 HydrophobicContact CE2-CG2 3.79Å; F95-V99 HydrophobicContact CG-CG2 4.32Å; F95-V99 HydrophobicContact CZ-CG2 3.58Å; F95-V99 VanDerWaalsContact O-CB 3.3Å; F95-V99 WeakPolarHBondContact O-CB 3.39Å; F95-V99 VanDerWaalsContact O-CG2 3.27Å; F95-V99 WeakPolarHBondContact O-CG2 3.42Å; F95-V99 PolarHBondContact O-N 3.34Å |
| 96 | I | 53.2 | Low | 51.1 | Low | 79 Ų | 79 | 97.6 Ų | 97.6 | 41% | 0.405 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.2 | -47.9 | 172.8 | -64.8 | -65.6 | 0 | 0 | 0 | 109.1 | F89 R92 I98 V99 F100 | F89-I96 HydrophobicContact CE2-CD1 4.08Å; F89-I96 HydrophobicContact CE2-CG1 3.67Å; F89-I96 HydrophobicContact CZ-CD1 3.75Å; F89-I96 HydrophobicContact CZ-CG1 3.51Å; R92-I96 HydrophobicContact CB-CG1 4.24Å; R92-I96 WeakPolarHBondContact O-CB 3.23Å; R92-I96 PolarHBondContact O-N 3.05Å; I96-I98 VanDerWaalsContact C-N 3.29Å; I96-I98 PolarHBondContact O-N 2.95Å; I96-V99 PolarHBondContact O-N 2.85Å; I96-F100 WeakPolarHBondContact O-CB 3.23Å; I96-F100 PolarHBondContact O-N 3.02Å |
| 97 | S | 52.5 | Low | 51.9 | Low | 61 Ų | 61 | 88.7 Ų | 88.7 | 43% | 0.427 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.6 | -33.7 | 179.2 | -54.2 | 0 | 0 | 0 | 0 | 112.4 | G93 M94 F95 S101 | G93-S97 VanDerWaalsContact O-CB 3.28Å; G93-S97 WeakPolarHBondContact O-CB 3.28Å; G93-S97 PolarHBondContact O-OG 2.89Å; M94-S97 CarbonylContact O-C 3.51Å; M94-S97 PolarHBondContact O-N 3.46Å; F95-S97 VanDerWaalsContact C-N 3.34Å; S97-S101 WeakPolarHBondContact O-CA 3.29Å; S97-S101 WeakPolarHBondContact O-CB 3.36Å; S97-S101 PolarHBondContact O-N 3.48Å; S97-S101 PolarHBondContact O-OG 3.3Å |
| 98 | I | 55.8 | Low | 52.5 | Low | 90 Ų | 90 | 81.6 Ų | 81.6 | 46% | 0.462 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -75.8 | -43.8 | 173.6 | -75.3 | 172.3 | 0 | 0 | 0 | 111.2 | M94 F95 I96 F100 S101 A102 | M94-I98 HydrophobicContact CG-CD1 3.72Å; M94-I98 HydrophobicContact CG-CG1 4.38Å; M94-I98 VanDerWaalsContact O-CB 3.29Å; M94-I98 WeakPolarHBondContact O-CB 3.25Å; M94-I98 VanDerWaalsContact O-CG1 3.26Å; M94-I98 WeakPolarHBondContact O-CG1 3.35Å; M94-I98 PolarHBondContact O-N 3.43Å; M94-I98 HydrophobicContact SD-CD1 4.09Å; F95-I98 PolarHBondContact O-N 2.99Å; I96-I98 VanDerWaalsContact C-N 3.29Å; I96-I98 PolarHBondContact O-N 2.95Å; I98-F100 PolarHBondContact O-N 3.34Å; I98-S101 PolarHBondContact O-N 2.96Å; I98-A102 HydrophobicContact CG2-CB 4.34Å; I98-A102 WeakPolarHBondContact O-CA 3.34Å; I98-A102 WeakPolarHBondContact O-CB 3.37Å; I98-A102 PolarHBondContact O-N 3.34Å |
| 99 | V | 60.4 | Low | 53.1 | Low | 68 Ų | 68 | 78.4 Ų | 78.4 | 41% | 0.412 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63.1 | -26.4 | 175.9 | 167.4 | 0 | 0 | 0 | 0 | 111.6 | F95 I96 P103 | F95-V99 HydrophobicContact CD1-CG2 4.12Å; F95-V99 HydrophobicContact CD2-CG2 4.16Å; F95-V99 HydrophobicContact CE1-CG2 3.75Å; F95-V99 HydrophobicContact CE2-CG2 3.79Å; F95-V99 HydrophobicContact CG-CG2 4.32Å; F95-V99 HydrophobicContact CZ-CG2 3.58Å; F95-V99 VanDerWaalsContact O-CB 3.3Å; F95-V99 WeakPolarHBondContact O-CB 3.39Å; F95-V99 VanDerWaalsContact O-CG2 3.27Å; F95-V99 WeakPolarHBondContact O-CG2 3.42Å; F95-V99 PolarHBondContact O-N 3.34Å; I96-V99 PolarHBondContact O-N 2.85Å; V99-P103 WeakPolarHBondContact O-CD 3.38Å; V99-P103 WeakPolarHBondContact O-CG 3.42Å |
| 100 | F | 53.3 | Low | 53.9 | Low | 62 Ų | 62 | 78.8 Ų | 78.8 | 27% | 0.272 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -88 | -41.9 | 173 | -156.8 | -94.8 | 0 | 0 | 0 | 113.2 | I72 I96 I98 P103 L104 | I72-F100 HydrophobicContact CB-CE1 4.41Å; I72-F100 HydrophobicContact CB-CZ 4.48Å; I72-F100 HydrophobicContact CD1-CE1 4.42Å; I72-F100 HydrophobicContact CD1-CZ 3.86Å; I72-F100 HydrophobicContact CG2-CD1 4.5Å; I72-F100 HydrophobicContact CG2-CE1 3.7Å; I72-F100 HydrophobicContact CG2-CE2 4.45Å; I72-F100 HydrophobicContact CG2-CZ 3.69Å; I96-F100 WeakPolarHBondContact O-CB 3.23Å; I96-F100 PolarHBondContact O-N 3.02Å; I98-F100 PolarHBondContact O-N 3.34Å; F100-P103 WeakPolarHBondContact O-CD 3.35Å; F100-P103 WeakPolarHBondContact O-CG 3.4Å; F100-L104 HydrophobicContact CD1-CD1 4.32Å; F100-L104 HydrophobicContact CE1-CD1 4Å; F100-L104 WeakPolarHBondContact O-CD1 3.43Å |
| 101 | S | 50.9 | Low | 54.4 | Low | 63 Ų | 63 | 71.7 Ų | 71.7 | 44% | 0.441 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -85.4 | -31.7 | -174 | -53.9 | 0 | 0 | 0 | 0 | 113.6 | S97 I98 L104 L105 | S97-S101 WeakPolarHBondContact O-CA 3.29Å; S97-S101 WeakPolarHBondContact O-CB 3.36Å; S97-S101 PolarHBondContact O-N 3.48Å; S97-S101 PolarHBondContact O-OG 3.3Å; I98-S101 PolarHBondContact O-N 2.96Å; S101-L104 CarbonylContact O-C 3.59Å; S101-L104 WeakPolarHBondContact O-CB 3.29Å; S101-L104 PolarHBondContact O-N 2.89Å; S101-L105 VanDerWaalsContact O-CB 3.24Å; S101-L105 WeakPolarHBondContact O-CB 3.16Å; S101-L105 PolarHBondContact O-N 2.97Å |
| 102 | A | 57.2 | Low | 54.9 | Low | 43 Ų | 43 | 71.7 Ų | 71.7 | 36% | 0.355 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60.1 | -44.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | I98 L105 V106 | I98-A102 HydrophobicContact CG2-CB 4.34Å; I98-A102 WeakPolarHBondContact O-CA 3.34Å; I98-A102 WeakPolarHBondContact O-CB 3.37Å; I98-A102 PolarHBondContact O-N 3.34Å; A102-L105 PolarHBondContact O-N 3.41Å; A102-V106 WeakPolarHBondContact O-CB 3.49Å; A102-V106 VanDerWaalsContact O-CG2 3.3Å; A102-V106 WeakPolarHBondContact O-CG2 3.36Å; A102-V106 PolarHBondContact O-N 3.13Å |
| 103 | P | 52.5 | Low | 55.6 | Low | 18 Ų | 18 | 70.5 Ų | 70.5 | 12% | 0.117 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -68 | -34.1 | 171.7 | 22 | -29.4 | 0 | 0 | 0 | 113.5 | F37 V99 F100 L105 N107 | F37-P103 HydrophobicContact CD2-CB 3.57Å; F37-P103 HydrophobicContact CD2-CG 4.03Å; F37-P103 HydrophobicContact CE1-CB 4.29Å; F37-P103 HydrophobicContact CE2-CB 3.16Å; F37-P103 HydrophobicContact CE2-CG 4.01Å; F37-P103 HydrophobicContact CG-CB 4.33Å; F37-P103 HydrophobicContact CG-CG 4.35Å; F37-P103 HydrophobicContact CZ-CB 3.56Å; F37-P103 HydrophobicContact CZ-CG 4.25Å; V99-P103 WeakPolarHBondContact O-CD 3.38Å; V99-P103 WeakPolarHBondContact O-CG 3.42Å; F100-P103 WeakPolarHBondContact O-CD 3.35Å; F100-P103 WeakPolarHBondContact O-CG 3.4Å; P103-L105 VanDerWaalsContact C-N 3.31Å; P103-L105 PolarHBondContact O-N 3.04Å; P103-N107 VanDerWaalsContact O-CB 3.29Å; P103-N107 WeakPolarHBondContact O-CB 3.44Å; P103-N107 PolarHBondContact O-N 3.48Å; P103-N107 PolarHBondContact O-ND2 3.29Å |
| 104 | L | 52.2 | Low | 56.2 | Low | 49 Ų | 49 | 70.9 Ų | 70.9 | 26% | 0.257 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -59.2 | -43.4 | 169.7 | -104.8 | 72 | 0 | 0 | 0 | 111.4 | A69 F100 S101 N107 A108 | A69-L104 HydrophobicContact CB-CD2 3.77Å; F100-L104 HydrophobicContact CD1-CD1 4.32Å; F100-L104 HydrophobicContact CE1-CD1 4Å; F100-L104 WeakPolarHBondContact O-CD1 3.43Å; S101-L104 CarbonylContact O-C 3.59Å; S101-L104 WeakPolarHBondContact O-CB 3.29Å; S101-L104 PolarHBondContact O-N 2.89Å; L104-N107 PolarHBondContact O-N 2.84Å; L104-A108 VanDerWaalsContact O-CB 3.32Å; L104-A108 WeakPolarHBondContact O-CB 3.43Å; L104-A108 PolarHBondContact O-N 3.47Å |
| 105 | L | 56.1 | Low | 56.9 | Low | 119 Ų | 119 | 73.2 Ų | 73.2 | 62% | 0.623 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -69.8 | -40.9 | -179.2 | -163.3 | 74.6 | 0 | 0 | 0 | 111.6 | S101 A102 P103 A108 M109 | S101-L105 VanDerWaalsContact O-CB 3.24Å; S101-L105 WeakPolarHBondContact O-CB 3.16Å; S101-L105 PolarHBondContact O-N 2.97Å; A102-L105 PolarHBondContact O-N 3.41Å; P103-L105 VanDerWaalsContact C-N 3.31Å; P103-L105 PolarHBondContact O-N 3.04Å; L105-A108 PolarHBondContact O-N 3.12Å; L105-M109 WeakPolarHBondContact O-CB 3.21Å; L105-M109 WeakPolarHBondContact O-CG 3.32Å; L105-M109 PolarHBondContact O-N 2.9Å |
| 106 | V | 59.7 | Low | 57.9 | Low | 84 Ų | 84 | 70.4 Ų | 70.4 | 51% | 0.509 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64 | -44.3 | 173.1 | 167.8 | 0 | 0 | 0 | 0 | 110.6 | A102 M109 I110 | A102-V106 WeakPolarHBondContact O-CB 3.49Å; A102-V106 VanDerWaalsContact O-CG2 3.3Å; A102-V106 WeakPolarHBondContact O-CG2 3.36Å; A102-V106 PolarHBondContact O-N 3.13Å; V106-M109 PolarHBondContact O-N 3.33Å; V106-I110 HydrophobicContact CG1-CD1 3.7Å; V106-I110 HydrophobicContact CG1-CG1 4.48Å; V106-I110 WeakPolarHBondContact O-CB 3.33Å; V106-I110 VanDerWaalsContact O-CG1 3.25Å; V106-I110 WeakPolarHBondContact O-CG1 3.32Å; V106-I110 PolarHBondContact O-N 3.5Å |
| 107 | N | 58.3 | Low | 58.6 | Low | 13 Ų | 13 | 74.9 Ų | 74.9 | 7% | 0.07 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -61.5 | -46.1 | 174.3 | -74.9 | -35.9 | 0 | 0 | 0 | 111.4 | L44 P103 L104 M109 I110 I111 | L44-N107 HydrophobicContact CD1-CB 4.15Å; L44-N107 WeakPolarHBondContact CD1-OD1 3.49Å; P103-N107 VanDerWaalsContact O-CB 3.29Å; P103-N107 WeakPolarHBondContact O-CB 3.44Å; P103-N107 PolarHBondContact O-N 3.48Å; P103-N107 PolarHBondContact O-ND2 3.29Å; L104-N107 PolarHBondContact O-N 2.84Å; N107-M109 PolarHBondContact O-N 2.94Å; N107-I110 PolarHBondContact O-N 2.88Å; N107-I111 WeakPolarHBondContact O-CD1 3.42Å; N107-I111 VanDerWaalsContact O-CG1 3.23Å; N107-I111 WeakPolarHBondContact O-CG1 3.43Å; N107-I111 PolarHBondContact O-N 3.35Å |
| 108 | A | 57.9 | Low | 59.2 | Low | 47 Ų | 47 | 75.7 Ų | 75.7 | 39% | 0.388 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.2 | -46 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | L104 L105 I111 V112 | L104-A108 VanDerWaalsContact O-CB 3.32Å; L104-A108 WeakPolarHBondContact O-CB 3.43Å; L104-A108 PolarHBondContact O-N 3.47Å; L105-A108 PolarHBondContact O-N 3.12Å; A108-I111 PolarHBondContact O-N 2.9Å; A108-V112 WeakPolarHBondContact O-CB 3.47Å; A108-V112 WeakPolarHBondContact O-CG2 3.36Å; A108-V112 PolarHBondContact O-N 2.99Å |
| 109 | M | 60.7 | Low | 59.9 | Low | 112 Ų | 112 | 74.7 Ų | 74.7 | 55% | 0.552 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -61.1 | -44.6 | 176 | -75.5 | -67.9 | -74.4 | 0 | 0 | 112 | L105 V106 N107 I111 V112 I113 | L105-M109 WeakPolarHBondContact O-CB 3.21Å; L105-M109 WeakPolarHBondContact O-CG 3.32Å; L105-M109 PolarHBondContact O-N 2.9Å; V106-M109 PolarHBondContact O-N 3.33Å; N107-M109 PolarHBondContact O-N 2.94Å; M109-I111 VanDerWaalsContact C-N 3.35Å; M109-I111 PolarHBondContact O-N 2.84Å; M109-V112 PolarHBondContact O-N 3.48Å; M109-I113 WeakPolarHBondContact O-CB 3.34Å; M109-I113 WeakPolarHBondContact O-CD1 3.47Å; M109-I113 WeakPolarHBondContact O-CG1 3.17Å; M109-I113 PolarHBondContact O-N 3.19Å |
| 110 | I | 60.9 | Low | 60.7 | Low | 81 Ų | 81 | 76.3 Ų | 76.3 | 42% | 0.415 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.4 | -42.9 | 176.5 | -73.4 | 167.4 | 0 | 0 | 0 | 111 | V106 N107 I113 M114 | V106-I110 HydrophobicContact CG1-CD1 3.7Å; V106-I110 HydrophobicContact CG1-CG1 4.48Å; V106-I110 WeakPolarHBondContact O-CB 3.33Å; V106-I110 VanDerWaalsContact O-CG1 3.25Å; V106-I110 WeakPolarHBondContact O-CG1 3.32Å; V106-I110 PolarHBondContact O-N 3.5Å; N107-I110 PolarHBondContact O-N 2.88Å; I110-I113 PolarHBondContact O-N 3.4Å; I110-M114 HydrophobicContact CG2-CE 3.89Å; I110-M114 HydrophobicContact CG2-SD 4.49Å; I110-M114 WeakPolarHBondContact O-CG 3.46Å; I110-M114 PolarHBondContact O-N 3.48Å |
| 111 | I | 56.3 | Low | 61.9 | Low | 15 Ų | 15 | 78.4 Ų | 78.4 | 8% | 0.077 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -66.5 | -44 | 177.6 | -64.2 | 160.6 | 0 | 0 | 0 | 111.2 | L62 N107 A108 M109 I113 M114 W115 | L62-I111 HydrophobicContact CD1-CG2 3.9Å; L62-I111 HydrophobicContact CD2-CD1 4.14Å; L62-I111 HydrophobicContact CD2-CG2 3.96Å; L62-I111 HydrophobicContact CG-CG2 4.13Å; N107-I111 WeakPolarHBondContact O-CD1 3.42Å; N107-I111 VanDerWaalsContact O-CG1 3.23Å; N107-I111 WeakPolarHBondContact O-CG1 3.43Å; N107-I111 PolarHBondContact O-N 3.35Å; A108-I111 PolarHBondContact O-N 2.9Å; M109-I111 VanDerWaalsContact C-N 3.35Å; M109-I111 PolarHBondContact O-N 2.84Å; I111-I113 PolarHBondContact O-N 3.49Å; I111-M114 PolarHBondContact O-N 2.98Å; I111-W115 VanDerWaalsContact O-CB 3.28Å; I111-W115 WeakPolarHBondContact O-CB 3.24Å; I111-W115 PolarHBondContact O-N 3.2Å |
| 112 | V | 59.4 | Low | 63.2 | Low | 81 Ų | 81 | 78.9 Ų | 78.9 | 49% | 0.491 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60.3 | -45.4 | 176.1 | 168.1 | 0 | 0 | 0 | 0 | 111.1 | A108 M109 W115 V116 | A108-V112 WeakPolarHBondContact O-CB 3.47Å; A108-V112 WeakPolarHBondContact O-CG2 3.36Å; A108-V112 PolarHBondContact O-N 2.99Å; M109-V112 PolarHBondContact O-N 3.48Å; V112-W115 PolarHBondContact O-N 3.26Å; V112-V116 HydrophobicContact CG1-CG2 4.5Å; V112-V116 WeakPolarHBondContact O-CG2 3.46Å; V112-V116 PolarHBondContact O-N 2.82Å |
| 113 | I | 63.1 | Low | 64.1 | Low | 86 Ų | 86 | 82.2 Ų | 82.2 | 44% | 0.441 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.3 | -50.2 | 177.4 | -69.3 | 164 | 0 | 0 | 0 | 110.4 | M109 I110 I111 W115 V116 W117 | M109-I113 WeakPolarHBondContact O-CB 3.34Å; M109-I113 WeakPolarHBondContact O-CD1 3.47Å; M109-I113 WeakPolarHBondContact O-CG1 3.17Å; M109-I113 PolarHBondContact O-N 3.19Å; I110-I113 PolarHBondContact O-N 3.4Å; I111-I113 PolarHBondContact O-N 3.49Å; I113-W115 VanDerWaalsContact C-N 3.29Å; I113-W115 PolarHBondContact O-N 2.83Å; I113-V116 PolarHBondContact O-N 3.44Å; I113-W117 PolarHBondContact O-N 2.93Å |
| 114 | M | 58.9 | Low | 65.6 | Low | 65 Ų | 65 | 84.9 Ų | 84.9 | 32% | 0.32 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.6 | -36.3 | 177.7 | -71.5 | -169.3 | -57.7 | 0 | 0 | 112.6 | I110 I111 K118 | I110-M114 HydrophobicContact CG2-CE 3.89Å; I110-M114 HydrophobicContact CG2-SD 4.49Å; I110-M114 WeakPolarHBondContact O-CG 3.46Å; I110-M114 PolarHBondContact O-N 3.48Å; I111-M114 PolarHBondContact O-N 2.98Å; M114-K118 WeakPolarHBondContact O-CB 3.36Å; M114-K118 PolarHBondContact O-N 2.98Å |
| 115 | W | 66.9 | Low | 67.1 | Low | 179 Ų | 179 | 87.1 Ų | 87.1 | 68% | 0.678 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -67 | -44.5 | 177.2 | -175.2 | 73 | 0 | 0 | 0 | 112.3 | I111 V112 I113 T119 | I111-W115 VanDerWaalsContact O-CB 3.28Å; I111-W115 WeakPolarHBondContact O-CB 3.24Å; I111-W115 PolarHBondContact O-N 3.2Å; V112-W115 PolarHBondContact O-N 3.26Å; I113-W115 VanDerWaalsContact C-N 3.29Å; I113-W115 PolarHBondContact O-N 2.83Å; W115-T119 VanDerWaalsContact O-CB 3.29Å; W115-T119 WeakPolarHBondContact O-CB 3.44Å; W115-T119 PolarHBondContact O-N 3.42Å; W115-T119 PolarHBondContact O-OG1 3.05Å |
| 116 | V | 70 | Confident | 68.4 | Low | 63 Ų | 63 | 86 Ų | 86 | 38% | 0.382 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62 | -51.3 | 175.5 | 169.5 | 0 | 0 | 0 | 0 | 110.7 | V112 I113 K118 T119 L120 | V112-V116 HydrophobicContact CG1-CG2 4.5Å; V112-V116 WeakPolarHBondContact O-CG2 3.46Å; V112-V116 PolarHBondContact O-N 2.82Å; I113-V116 PolarHBondContact O-N 3.44Å; V116-K118 VanDerWaalsContact C-N 3.34Å; V116-K118 PolarHBondContact O-N 2.92Å; V116-T119 PolarHBondContact O-N 3.12Å; V116-T119 VanDerWaalsContact O-N 3.15Å; V116-L120 HydrophobicContact CG1-CD1 3.9Å; V116-L120 HydrophobicContact CG1-CG 4.41Å; V116-L120 WeakPolarHBondContact O-CG 3.24Å; V116-L120 PolarHBondContact O-N 3.45Å |
| 117 | W | 68.4 | Low | 69.6 | Low | 173 Ų | 173 | 87.9 Ų | 87.9 | 66% | 0.655 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -61.4 | -41.1 | -179.9 | -81.2 | 68 | 0 | 0 | 0 | 112.3 | I113 L120 N121 | I113-W117 PolarHBondContact O-N 2.93Å; W117-L120 PolarHBondContact O-N 2.97Å; W117-N121 WeakPolarHBondContact O-CB 3.09Å; W117-N121 PolarHBondContact O-N 2.76Å |
| 118 | K | 63.9 | Low | 70.8 | Confident | 78 Ų | 78 | 90.9 Ų | 90.9 | 34% | 0.339 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -67.1 | -37.5 | 175.7 | -172.9 | 167.8 | 177.6 | 177.2 | 0 | 112.3 | M114 V116 N121 V122 | M114-K118 WeakPolarHBondContact O-CB 3.36Å; M114-K118 PolarHBondContact O-N 2.98Å; V116-K118 VanDerWaalsContact C-N 3.34Å; V116-K118 PolarHBondContact O-N 2.92Å; K118-N121 PolarHBondContact O-N 3.28Å; K118-V122 WeakPolarHBondContact O-CG2 3.3Å; K118-V122 PolarHBondContact O-N 2.83Å |
| 119 | T | 70.6 | Confident | 72.4 | Confident | 69 Ų | 69 | 91.2 Ų | 91.2 | 42% | 0.423 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -66.6 | -42.6 | 176.5 | -59.4 | 0 | 0 | 0 | 0 | 111.4 | W115 V116 V122 M123 | W115-T119 VanDerWaalsContact O-CB 3.29Å; W115-T119 WeakPolarHBondContact O-CB 3.44Å; W115-T119 PolarHBondContact O-N 3.42Å; W115-T119 PolarHBondContact O-OG1 3.05Å; V116-T119 PolarHBondContact O-N 3.12Å; V116-T119 VanDerWaalsContact O-N 3.15Å; T119-V122 PolarHBondContact O-N 2.99Å; T119-M123 VanDerWaalsContact O-CB 3.31Å; T119-M123 WeakPolarHBondContact O-CB 3.32Å; T119-M123 PolarHBondContact O-N 3.07Å |
| 120 | L | 78.1 | Confident | 73.6 | Confident | 103 Ų | 103 | 91.5 Ų | 91.5 | 54% | 0.539 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.5 | -45 | 174 | -69.8 | 170.5 | 0 | 0 | 0 | 111.7 | V116 W117 M123 T124 | V116-L120 HydrophobicContact CG1-CD1 3.9Å; V116-L120 HydrophobicContact CG1-CG 4.41Å; V116-L120 WeakPolarHBondContact O-CG 3.24Å; V116-L120 PolarHBondContact O-N 3.45Å; W117-L120 PolarHBondContact O-N 2.97Å; L120-M123 PolarHBondContact O-N 3.05Å; L120-T124 VanDerWaalsContact O-CB 3.3Å; L120-T124 WeakPolarHBondContact O-CB 3.1Å; L120-T124 PolarHBondContact O-N 2.94Å; L120-T124 PolarHBondContact O-OG1 3.22Å |
| 121 | N | 76.9 | Confident | 74.9 | Confident | 106 Ų | 106 | 93.2 Ų | 93.2 | 57% | 0.567 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -62.5 | -45.3 | 176.6 | -75.7 | -16.5 | 0 | 0 | 0 | 112.2 | W117 K118 T124 D125 | W117-N121 WeakPolarHBondContact O-CB 3.09Å; W117-N121 PolarHBondContact O-N 2.76Å; K118-N121 PolarHBondContact O-N 3.28Å; N121-T124 PolarHBondContact O-N 3.43Å; N121-D125 PolarHBondContact O-N 3.46Å |
| 122 | V | 79.1 | Confident | 76.2 | Confident | 73 Ų | 73 | 100.7 Ų | 100.7 | 44% | 0.442 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.2 | -42.5 | 177.5 | 169.8 | 0 | 0 | 0 | 0 | 111.6 | K118 T119 T124 D125 L126 | K118-V122 WeakPolarHBondContact O-CG2 3.3Å; K118-V122 PolarHBondContact O-N 2.83Å; T119-V122 PolarHBondContact O-N 2.99Å; V122-T124 VanDerWaalsContact C-N 3.29Å; V122-T124 PolarHBondContact O-N 3.19Å; V122-D125 PolarHBondContact O-N 2.97Å; V122-L126 HydrophobicContact CG1-CD1 3.85Å; V122-L126 HydrophobicContact CG1-CG 4.33Å; V122-L126 WeakPolarHBondContact O-CB 3.46Å; V122-L126 VanDerWaalsContact O-CG 3.24Å; V122-L126 WeakPolarHBondContact O-CG 3.21Å; V122-L126 PolarHBondContact O-N 3.24Å |
| 123 | M | 76.1 | Confident | 77.5 | Confident | 113 Ų | 113 | 105.4 Ų | 105.4 | 56% | 0.557 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.3 | -36.3 | 175.5 | -179.3 | 59.5 | 115.8 | 0 | 0 | 111.9 | T119 L120 K127 | T119-M123 VanDerWaalsContact O-CB 3.31Å; T119-M123 WeakPolarHBondContact O-CB 3.32Å; T119-M123 PolarHBondContact O-N 3.07Å; L120-M123 PolarHBondContact O-N 3.05Å; M123-K127 WeakPolarHBondContact O-CG 3.04Å; M123-K127 PolarHBondContact O-N 2.66Å |
| 124 | T | 83.8 | Confident | 78.7 | Confident | 73 Ų | 73 | 107.5 Ų | 107.5 | 45% | 0.448 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -70.7 | -44.9 | 177.7 | -57.4 | 0 | 0 | 0 | 0 | 111.6 | L120 N121 V122 K127 N128 | L120-T124 VanDerWaalsContact O-CB 3.3Å; L120-T124 WeakPolarHBondContact O-CB 3.1Å; L120-T124 PolarHBondContact O-N 2.94Å; L120-T124 PolarHBondContact O-OG1 3.22Å; N121-T124 PolarHBondContact O-N 3.43Å; V122-T124 VanDerWaalsContact C-N 3.29Å; V122-T124 PolarHBondContact O-N 3.19Å; T124-K127 PolarHBondContact O-N 3.41Å; T124-N128 VanDerWaalsContact O-CG 3.23Å; T124-N128 PolarHBondContact O-N 3.35Å; T124-N128 PolarHBondContact O-ND2 2.88Å |
| 125 | D | 83.6 | Confident | 80 | Confident | 96 Ų | 96 | 108.7 Ų | 108.7 | 51% | 0.513 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.3 | -43.4 | 174.5 | -173.6 | 58.9 | 0 | 0 | 0 | 111.8 | N121 V122 K127 N128 V129 | N121-D125 PolarHBondContact O-N 3.46Å; V122-D125 PolarHBondContact O-N 2.97Å; D125-K127 VanDerWaalsContact C-N 3.32Å; D125-K127 PolarHBondContact O-N 2.75Å; D125-N128 WeakPolarHBondContact O-CB 3.42Å; D125-N128 PolarHBondContact O-N 2.85Å; D125-V129 WeakPolarHBondContact O-CB 3.48Å; D125-V129 VanDerWaalsContact O-CG2 3.32Å; D125-V129 WeakPolarHBondContact O-CG2 3.34Å; D125-V129 PolarHBondContact O-N 3.35Å |
| 126 | L | 84.4 | Confident | 80.9 | Confident | 97 Ų | 97 | 107.8 Ų | 107.8 | 51% | 0.508 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.7 | -38.1 | 174.8 | -73.8 | 172.6 | 0 | 0 | 0 | 112.5 | V122 Q130 | V122-L126 HydrophobicContact CG1-CD1 3.85Å; V122-L126 HydrophobicContact CG1-CG 4.33Å; V122-L126 WeakPolarHBondContact O-CB 3.46Å; V122-L126 VanDerWaalsContact O-CG 3.24Å; V122-L126 WeakPolarHBondContact O-CG 3.21Å; V122-L126 PolarHBondContact O-N 3.24Å; L126-Q130 WeakPolarHBondContact O-CB 3.21Å; L126-Q130 WeakPolarHBondContact O-CG 3.4Å; L126-Q130 PolarHBondContact O-N 2.77Å |
| 127 | K | 83.9 | Confident | 81.6 | Confident | 123 Ų | 123 | 112.5 Ų | 112.5 | 54% | 0.535 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.5 | -50.7 | 171.6 | -79.1 | -179.3 | 175.8 | -173.7 | 0 | 111.5 | M123 T124 D125 V129 Q130 E131 | M123-K127 WeakPolarHBondContact O-CG 3.04Å; M123-K127 PolarHBondContact O-N 2.66Å; T124-K127 PolarHBondContact O-N 3.41Å; D125-K127 VanDerWaalsContact C-N 3.32Å; D125-K127 PolarHBondContact O-N 2.75Å; K127-V129 VanDerWaalsContact C-N 3.29Å; K127-V129 PolarHBondContact O-N 3.33Å; K127-Q130 PolarHBondContact O-N 3.38Å; K127-Q130 VanDerWaalsContact O-N 3.09Å; K127-E131 PolarHBondContact O-N 2.74Å |
| 128 | N | 84.9 | Confident | 82.4 | Confident | 75 Ų | 75 | 112 Ų | 112 | 40% | 0.401 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -56.3 | -42.4 | 177.3 | -68.9 | -25 | 0 | 0 | 0 | 112.1 | T124 D125 E131 R132 | T124-N128 VanDerWaalsContact O-CG 3.23Å; T124-N128 PolarHBondContact O-N 3.35Å; T124-N128 PolarHBondContact O-ND2 2.88Å; D125-N128 WeakPolarHBondContact O-CB 3.42Å; D125-N128 PolarHBondContact O-N 2.85Å; N128-E131 PolarHBondContact O-N 2.76Å; N128-R132 WeakPolarHBondContact O-CB 3.3Å; N128-R132 VanDerWaalsContact O-CG 3.3Å; N128-R132 WeakPolarHBondContact O-CG 3.29Å; N128-R132 PolarHBondContact O-N 3.25Å |
| 129 | V | 90 | Very high | 83.2 | Confident | 55 Ų | 55 | 115.1 Ų | 115.1 | 33% | 0.333 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -69.5 | -38.3 | 176.7 | 171.5 | 0 | 0 | 0 | 0 | 111.6 | D125 K127 R133 | D125-V129 WeakPolarHBondContact O-CB 3.48Å; D125-V129 VanDerWaalsContact O-CG2 3.32Å; D125-V129 WeakPolarHBondContact O-CG2 3.34Å; D125-V129 PolarHBondContact O-N 3.35Å; K127-V129 VanDerWaalsContact C-N 3.29Å; K127-V129 PolarHBondContact O-N 3.33Å; V129-R133 WeakPolarHBondContact O-CB 3.35Å; V129-R133 VanDerWaalsContact O-CG 3.23Å; V129-R133 WeakPolarHBondContact O-CG 3.12Å; V129-R133 PolarHBondContact O-N 2.79Å |
| 130 | Q | 86.6 | Confident | 83.8 | Confident | 117 Ų | 117 | 121.5 Ų | 121.5 | 55% | 0.547 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.1 | -41.9 | 173 | -81.3 | -164.2 | 11.8 | 0 | 0 | 112.3 | L126 K127 R133 K134 | L126-Q130 WeakPolarHBondContact O-CB 3.21Å; L126-Q130 WeakPolarHBondContact O-CG 3.4Å; L126-Q130 PolarHBondContact O-N 2.77Å; K127-Q130 PolarHBondContact O-N 3.38Å; K127-Q130 VanDerWaalsContact O-N 3.09Å; Q130-R133 CarbonylContact O-C 3.58Å; Q130-R133 WeakPolarHBondContact O-CB 3.36Å; Q130-R133 PolarHBondContact O-N 2.94Å; Q130-K134 WeakPolarHBondContact O-CG 2.99Å; Q130-K134 PolarHBondContact O-N 2.98Å |
| 131 | E | 86.9 | Confident | 83.8 | Confident | 118 Ų | 118 | 125.3 Ų | 125.3 | 55% | 0.551 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66.2 | -47.7 | 178.7 | -73.2 | 178 | -179.9 | 0 | 0 | 111.4 | K127 N128 R133 K134 E135 | K127-E131 PolarHBondContact O-N 2.74Å; N128-E131 PolarHBondContact O-N 2.76Å; E131-R133 PolarHBondContact O-N 2.84Å; E131-K134 WeakPolarHBondContact O-CA 3.31Å; E131-K134 WeakPolarHBondContact O-CB 3.27Å; E131-K134 PolarHBondContact O-N 3.35Å; E131-E135 PolarHBondContact O-N 3.17Å |
| 132 | R | 84.9 | Confident | 83.6 | Confident | 172 Ų | 172 | 126 Ų | 126 | 65% | 0.649 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -59.4 | -30.2 | 172.5 | -68.5 | 177.4 | -172.2 | -77.9 | 6.6 | 112.8 | N128 K136 | N128-R132 WeakPolarHBondContact O-CB 3.3Å; N128-R132 VanDerWaalsContact O-CG 3.3Å; N128-R132 WeakPolarHBondContact O-CG 3.29Å; N128-R132 PolarHBondContact O-N 3.25Å; R132-K136 WeakPolarHBondContact O-CB 3.38Å; R132-K136 WeakPolarHBondContact O-CG 3.45Å; R132-K136 PolarHBondContact O-N 2.95Å |
| 133 | R | 87.4 | Confident | 82.6 | Confident | 180 Ų | 180 | 131 Ų | 131 | 68% | 0.679 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -74.6 | -35.5 | 171.9 | -77.1 | 176.1 | 179.3 | -145.1 | 0.9 | 113 | V129 Q130 E131 K137 | V129-R133 WeakPolarHBondContact O-CB 3.35Å; V129-R133 VanDerWaalsContact O-CG 3.23Å; V129-R133 WeakPolarHBondContact O-CG 3.12Å; V129-R133 PolarHBondContact O-N 2.79Å; Q130-R133 CarbonylContact O-C 3.58Å; Q130-R133 WeakPolarHBondContact O-CB 3.36Å; Q130-R133 PolarHBondContact O-N 2.94Å; E131-R133 PolarHBondContact O-N 2.84Å; R133-K137 WeakPolarHBondContact O-CG 3.22Å; R133-K137 PolarHBondContact O-N 3.28Å |
| 134 | K | 86.4 | Confident | 83 | Confident | 129 Ų | 129 | 131.9 Ų | 131.9 | 56% | 0.561 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -67.9 | -45 | 174.2 | -73.3 | 169.5 | -177.4 | 173.6 | 0 | 111.2 | Q130 E131 K137 R138 | Q130-K134 WeakPolarHBondContact O-CG 2.99Å; Q130-K134 PolarHBondContact O-N 2.98Å; E131-K134 WeakPolarHBondContact O-CA 3.31Å; E131-K134 WeakPolarHBondContact O-CB 3.27Å; E131-K134 PolarHBondContact O-N 3.35Å; K134-K137 CarbonylContact O-C 3.58Å; K134-K137 WeakPolarHBondContact O-CB 3.28Å; K134-K137 PolarHBondContact O-N 2.81Å; K134-K137 VanDerWaalsContact O-N 3.13Å; K134-R138 PolarHBondContact O-N 3Å; K134-R138 VanDerWaalsContact O-N 3.07Å |
| 135 | E | 87.3 | Confident | 82.9 | Confident | 91 Ų | 91 | 134.9 Ų | 134.9 | 43% | 0.425 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -62.4 | -47.2 | 179.7 | -160.9 | -157.7 | 155.1 | 0 | 0 | 111.6 | E131 K137 R138 R139 | E131-E135 PolarHBondContact O-N 3.17Å; E135-K137 PolarHBondContact O-N 3.12Å; E135-R138 WeakPolarHBondContact O-CB 3.38Å; E135-R138 PolarHBondContact O-N 3.32Å; E135-R139 PolarHBondContact O-N 3.48Å; E135-R139 VanDerWaalsContact O-N 3.14Å; E135-R139 IonicContact OE1-CZ 3.36Å; E135-R139 IonicContact OE1-NE 3.05Å; E135-R139 PolarHBondContact OE1-NE 3.38Å; E135-R139 IonicContact OE1-NH2 2.78Å; E135-R139 PolarHBondContact OE1-NH2 2.83Å |
| 136 | K | 84.8 | Confident | 82.9 | Confident | 160 Ų | 160 | 137.1 Ų | 137.1 | 70% | 0.696 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -60.1 | -30.2 | 173.8 | -74 | -177.3 | 178 | -168.3 | 0 | 113.3 | R132 R140 | R132-K136 WeakPolarHBondContact O-CB 3.38Å; R132-K136 WeakPolarHBondContact O-CG 3.45Å; R132-K136 PolarHBondContact O-N 2.95Å; K136-R140 PolarHBondContact O-N 3.13Å |
| 137 | K | 84.9 | Confident | 82.8 | Confident | 162 Ų | 162 | 139.5 Ų | 139.5 | 70% | 0.704 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -77.8 | -17.5 | 173.9 | -81.5 | -173.3 | 173.9 | -168.7 | 0 | 114.2 | R133 K134 E135 | R133-K137 WeakPolarHBondContact O-CG 3.22Å; R133-K137 PolarHBondContact O-N 3.28Å; K134-K137 CarbonylContact O-C 3.58Å; K134-K137 WeakPolarHBondContact O-CB 3.28Å; K134-K137 PolarHBondContact O-N 2.81Å; K134-K137 VanDerWaalsContact O-N 3.13Å; E135-K137 PolarHBondContact O-N 3.12Å |
| 138 | R | 85 | Confident | 82.7 | Confident | 162 Ų | 162 | 140.5 Ų | 140.5 | 61% | 0.611 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -81.1 | -52.1 | 171.8 | -89.6 | -167.4 | 59.3 | 179.6 | -6.2 | 111.7 | K134 E135 R140 K141 E142 | K134-R138 PolarHBondContact O-N 3Å; K134-R138 VanDerWaalsContact O-N 3.07Å; E135-R138 WeakPolarHBondContact O-CB 3.38Å; E135-R138 PolarHBondContact O-N 3.32Å; R138-R140 VanDerWaalsContact C-N 3.28Å; R138-R140 PolarHBondContact O-N 3.15Å; R138-K141 WeakPolarHBondContact O-CB 3.12Å; R138-K141 PolarHBondContact O-N 2.8Å; R138-E142 IonicContact CZ-OE1 3.28Å; R138-E142 VanDerWaalsContact CZ-OE1 3.28Å; R138-E142 IonicContact NE-OE1 2.93Å; R138-E142 PolarHBondContact NE-OE1 2.96Å; R138-E142 IonicContact NH2-OE1 2.74Å; R138-E142 PolarHBondContact NH2-OE1 2.99Å; R138-E142 PolarHBondContact O-N 3.14Å |
| 139 | R | 82.3 | Confident | 82.6 | Confident | 143 Ų | 143 | 144.9 Ų | 144.9 | 54% | 0.54 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -52.4 | -48 | 179.1 | -65.7 | 177.9 | -177.7 | -85.9 | 0.1 | 111.1 | E135 K141 E142 D143 | E135-R139 PolarHBondContact O-N 3.48Å; E135-R139 VanDerWaalsContact O-N 3.14Å; E135-R139 IonicContact OE1-CZ 3.36Å; E135-R139 IonicContact OE1-NE 3.05Å; E135-R139 PolarHBondContact OE1-NE 3.38Å; E135-R139 IonicContact OE1-NH2 2.78Å; E135-R139 PolarHBondContact OE1-NH2 2.83Å; R139-K141 PolarHBondContact O-N 2.68Å; R139-E142 WeakPolarHBondContact O-CA 3.26Å; R139-E142 PolarHBondContact O-N 3.25Å; R139-D143 PolarHBondContact O-N 3.18Å; R139-D143 VanDerWaalsContact O-OD2 3.12Å |
| 140 | R | 81.4 | Confident | 82 | Confident | 204 Ų | 204 | 151.3 Ų | 151.3 | 77% | 0.77 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -72.1 | 24.7 | 176 | -147 | -162.4 | -164.4 | -66.3 | 0.1 | 116.3 | K136 R138 | K136-R140 PolarHBondContact O-N 3.13Å; R138-R140 VanDerWaalsContact C-N 3.28Å; R138-R140 PolarHBondContact O-N 3.15Å |
| 141 | K | 78.1 | Confident | 81.7 | Confident | 182 Ų | 182 | 153.9 Ų | 153.9 | 79% | 0.791 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -137.3 | -13.7 | 168 | -73.8 | -172.5 | 166.8 | -158 | 0 | 112.3 | R138 R139 | R138-K141 WeakPolarHBondContact O-CB 3.12Å; R138-K141 PolarHBondContact O-N 2.8Å; R139-K141 PolarHBondContact O-N 2.68Å |
| 142 | E | 72.7 | Confident | 81.2 | Confident | 121 Ų | 121 | 156.9 Ų | 156.9 | 57% | 0.565 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -93 | -25.9 | 172.9 | -66.2 | 159 | -175.5 | 0 | 0 | 108.9 | R138 R139 | R138-E142 IonicContact CZ-OE1 3.28Å; R138-E142 VanDerWaalsContact CZ-OE1 3.28Å; R138-E142 IonicContact NE-OE1 2.93Å; R138-E142 PolarHBondContact NE-OE1 2.96Å; R138-E142 IonicContact NH2-OE1 2.74Å; R138-E142 PolarHBondContact NH2-OE1 2.99Å; R138-E142 PolarHBondContact O-N 3.14Å; R139-E142 WeakPolarHBondContact O-CA 3.26Å; R139-E142 PolarHBondContact O-N 3.25Å |
| 143 | D | 59.7 | Low | 80.9 | Confident | 177 Ų | 177 | 155.5 Ų | 155.5 | 95% | 0.947 | 66% | 0.663 | S | S | * | * | trans | -84.3 | 0 | 154.9 | -42.5 | -56.1 | 0 | 0 | 0 | 112.1 | R139 | R139-D143 PolarHBondContact O-N 3.18Å; R139-D143 VanDerWaalsContact O-OD2 3.12Å |
Retrieved 143 of 143 residues in 203.2 ms
(Link to these results)