| 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 | 46.6 | Very low | 57.5 | Low | 230 Ų | 230 | 132.9 Ų | 132.9 | 100% | 1.133 | 71% | 0.711 | S | S | * | * | 0 | 3.8 | 0 | -127.3 | -179 | -86.7 | 0 | 0 | 113.8 | |||||
| 2 | L | 51.9 | Low | 57.3 | Low | 160 Ų | 160 | 132.8 Ų | 132.8 | 84% | 0.838 | 71% | 0.709 | S | S | * | * | trans | -92.6 | -6.2 | -172.9 | -133.1 | 132.4 | 0 | 0 | 0 | 114.5 | ||||
| 3 | A | 55.2 | Low | 57.3 | Low | 86 Ų | 86 | 132.7 Ų | 132.7 | 71% | 0.711 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -83.5 | -14.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 4 | T | 60.4 | Low | 56.8 | Low | 102 Ų | 102 | 133.4 Ų | 133.4 | 63% | 0.626 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -89.7 | -14.7 | -174.6 | 53.6 | 0 | 0 | 0 | 0 | 114.2 | ||
| 5 | M | 58.7 | Low | 56.1 | Low | 150 Ų | 150 | 133 Ų | 133 | 74% | 0.739 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -79.6 | -24.8 | -178.7 | -76.3 | -178.2 | 78.4 | 0 | 0 | 113.6 | ||
| 6 | D | 64.1 | Low | 55.6 | Low | 127 Ų | 127 | 132.3 Ų | 132.3 | 68% | 0.679 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -78.6 | -30.2 | -179 | -98.5 | -10.8 | 0 | 0 | 0 | 113.1 | N9 K10 | D6-N9 PolarHBondContact O-N 3.35Å; D6-K10 PolarHBondContact O-N 3.39Å |
| 7 | E | 62.5 | Low | 55 | Low | 144 Ų | 144 | 131 Ų | 131 | 67% | 0.673 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -73 | -37.5 | -177.3 | -146.9 | 125.6 | -141.3 | 0 | 0 | 111.7 | N9 K10 E11 | E7-N9 VanDerWaalsContact C-N 3.26Å; E7-N9 PolarHBondContact O-N 3.03Å; E7-K10 PolarHBondContact O-N 3.48Å; E7-E11 PolarHBondContact O-N 3.39Å |
| 8 | A | 59.8 | Low | 54.5 | Low | 68 Ų | 68 | 133.9 Ų | 133.9 | 56% | 0.562 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -64 | -30.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L12 | A8-L12 PolarHBondContact O-N 3.43Å |
| 9 | N | 58.7 | Low | 54.1 | Low | 101 Ų | 101 | 132.1 Ų | 132.1 | 54% | 0.54 | 71% | 0.711 | S | S | . | * | H | α-helix | trans | -76.5 | -29.5 | 177.3 | -105.7 | -11 | 0 | 0 | 0 | 112.8 | D6 E7 I13 | D6-N9 PolarHBondContact O-N 3.35Å; E7-N9 VanDerWaalsContact C-N 3.26Å; E7-N9 PolarHBondContact O-N 3.03Å; N9-I13 WeakPolarHBondContact O-CG1 3.47Å |
| 10 | K | 59.7 | Low | 53.6 | Low | 160 Ų | 160 | 137.3 Ų | 137.3 | 70% | 0.696 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -69.9 | -38.8 | 175.3 | -88 | -175.9 | 174.6 | -179 | 0 | 112.5 | D6 E7 L12 I13 | D6-K10 PolarHBondContact O-N 3.39Å; E7-K10 PolarHBondContact O-N 3.48Å; K10-L12 VanDerWaalsContact C-N 3.3Å; K10-L12 PolarHBondContact O-N 3.49Å; K10-I13 PolarHBondContact O-N 3.33Å |
| 11 | E | 54.7 | Low | 53.3 | Low | 134 Ų | 134 | 136.3 Ų | 136.3 | 63% | 0.626 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -64.8 | -32.8 | 176.8 | -76.5 | -81.5 | 123.4 | 0 | 0 | 112.4 | E7 I13 | E7-E11 PolarHBondContact O-N 3.39Å; E11-I13 PolarHBondContact O-N 3.22Å |
| 12 | L | 55.4 | Low | 53.2 | Low | 132 Ų | 132 | 134.9 Ų | 134.9 | 69% | 0.691 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -72.5 | -27.3 | -179.5 | -155.9 | 75.9 | 0 | 0 | 0 | 113.1 | A8 K10 | A8-L12 PolarHBondContact O-N 3.43Å; K10-L12 VanDerWaalsContact C-N 3.3Å; K10-L12 PolarHBondContact O-N 3.49Å |
| 13 | I | 57.1 | Low | 53.1 | Low | 131 Ų | 131 | 133.5 Ų | 133.5 | 67% | 0.672 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -77.7 | -30.9 | -179.6 | -64.1 | 170 | 0 | 0 | 0 | 111.3 | N9 K10 E11 | N9-I13 WeakPolarHBondContact O-CG1 3.47Å; K10-I13 PolarHBondContact O-N 3.33Å; E11-I13 PolarHBondContact O-N 3.22Å |
| 14 | N | 50.5 | Low | 52.5 | Low | 142 Ų | 142 | 140.4 Ų | 140.4 | 76% | 0.759 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -84 | -15.6 | -172.6 | -127 | 6.5 | 0 | 0 | 0 | 114.3 | ||
| 15 | N | 46.2 | Very low | 51.9 | Low | 128 Ų | 128 | 141.4 Ų | 141.4 | 68% | 0.684 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.4 | 30.9 | -176.9 | -81.3 | -32.6 | 0 | 0 | 0 | 114 | P17 | N15-P17 WeakPolarHBondContact O-CD 2.93Š|
| 16 | I | 47.6 | Very low | 51.6 | Low | 121 Ų | 121 | 138.3 Ų | 138.3 | 62% | 0.621 | 71% | 0.714 | S | S | * | * | trans | -85.4 | 99.8 | 166.7 | -62.7 | 170.9 | 0 | 0 | 0 | 107.9 | H18 | I16-H18 PolarHBondContact O-N 3.33Š| ||
| 17 | P | 46 | Very low | 51.1 | Low | 111 Ų | 111 | 134.4 Ų | 134.4 | 72% | 0.721 | 70% | 0.704 | S | S | * | * | trans | -63.5 | 115.2 | 173.2 | 25.7 | -33.6 | 0 | 0 | 0 | 108.4 | N15 S19 | N15-P17 WeakPolarHBondContact O-CD 2.93Å; P17-S19 PolarHBondContact O-N 2.91Å | ||
| 18 | H | 45.3 | Very low | 50.9 | Low | 183 Ų | 183 | 137 Ų | 137 | 85% | 0.847 | 71% | 0.713 | S | S | * | * | trans | -61.3 | 72.6 | 163.2 | -81.2 | -76 | 0 | 0 | 0 | 109.6 | I16 R20 | I16-H18 PolarHBondContact O-N 3.33Å; H18-R20 PolarHBondContact O-N 2.76Å | ||
| 19 | S | 48.5 | Very low | 50.7 | Low | 99 Ų | 99 | 138.7 Ų | 138.7 | 69% | 0.692 | 72% | 0.72 | S | S | * | * | trans | -68.2 | 94.8 | 164.1 | -167.9 | 0 | 0 | 0 | 0 | 106.3 | P17 V21 | P17-S19 PolarHBondContact O-N 2.91Å; S19-V21 PolarHBondContact O-N 2.87Å | ||
| 20 | R | 43.7 | Very low | 51 | Low | 236 Ų | 236 | 136.5 Ų | 136.5 | 89% | 0.891 | 71% | 0.71 | S | S | * | * | trans | -63 | 75.4 | 177.8 | -157.8 | -174.8 | -70.6 | -179.5 | -3.1 | 107.9 | H18 K22 | H18-R20 PolarHBondContact O-N 2.76Å; R20-K22 PolarHBondContact O-N 2.7Å | ||
| 21 | V | 47.1 | Very low | 51.4 | Low | 118 Ų | 118 | 133.6 Ų | 133.6 | 72% | 0.715 | 70% | 0.701 | S | S | * | * | trans | -65.5 | 100 | 173.7 | 176.9 | 0 | 0 | 0 | 0 | 106.9 | S19 T23 | S19-V21 PolarHBondContact O-N 2.87Å; V21-T23 PolarHBondContact O-N 3.03Å | ||
| 22 | K | 44.8 | Very low | 51.9 | Low | 199 Ų | 199 | 129.5 Ų | 129.5 | 87% | 0.865 | 69% | 0.691 | S | S | * | * | trans | -50.1 | 104.2 | 169 | -84.5 | 174.4 | 171.3 | 173.7 | 0 | 109 | R20 R24 | R20-K22 PolarHBondContact O-N 2.7Å; K22-R24 PolarHBondContact O-N 2.93Å | ||
| 23 | T | 48.6 | Very low | 52.7 | Low | 131 Ų | 131 | 129.1 Ų | 129.1 | 80% | 0.804 | 68% | 0.68 | S | S | * | * | trans | -70.6 | 96.2 | 166.5 | 46.4 | 0 | 0 | 0 | 0 | 107.7 | V21 | V21-T23 PolarHBondContact O-N 3.03Š| ||
| 24 | R | 43.3 | Very low | 53.3 | Low | 232 Ų | 232 | 129.9 Ų | 129.9 | 88% | 0.875 | 68% | 0.678 | S | S | * | * | trans | -56.5 | 133.4 | 165.9 | -111 | -179.6 | 176.3 | 169.2 | -1 | 108 | K22 S26 | K22-R24 PolarHBondContact O-N 2.93Å; R24-S26 PolarHBondContact O-N 3.32Å | ||
| 25 | P | 47.8 | Very low | 54.4 | Low | 122 Ų | 122 | 131.3 Ų | 131.3 | 79% | 0.792 | 67% | 0.673 | S | S | * | * | trans | -64.5 | 114.3 | -178.8 | 25.8 | -31.3 | 0 | 0 | 0 | 108.6 | G27 | P25-G27 PolarHBondContact O-N 2.98Š| ||
| 26 | S | 52.6 | Low | 55.2 | Low | 85 Ų | 85 | 125.9 Ų | 125.9 | 59% | 0.594 | 64% | 0.644 | S | S | * | * | trans | -67.3 | 92.2 | 178.3 | -176.3 | 0 | 0 | 0 | 0 | 108.8 | R24 T30 | R24-S26 PolarHBondContact O-N 3.32Å; S26-T30 WeakPolarHBondContact OG-CB 3.49Å; S26-T30 WeakPolarHBondContact OG-CG2 3.33Å; S26-T30 PolarHBondContact OG-OG1 3.03Å | ||
| 27 | G | 52.9 | Low | 56.1 | Low | 45 Ų | 45 | 126.9 Ų | 126.9 | 46% | 0.464 | 64% | 0.644 | S | S | . | * | trans | -54.4 | 149.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | P25 C29 T30 | P25-G27 PolarHBondContact O-N 2.98Å; G27-C29 PolarHBondContact O-N 2.91Å; G27-T30 PolarHBondContact O-N 3.02Å; G27-T30 PolarHBondContact O-OG1 2.68Å | ||
| 28 | K | 59 | Low | 57.1 | Low | 200 Ų | 200 | 127.5 Ų | 127.5 | 87% | 0.87 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -40.3 | -26 | -176.6 | -61.3 | 172.1 | -179.7 | 177 | 0 | 115.2 | T30 L31 | K28-T30 PolarHBondContact O-N 3.19Å; K28-L31 PolarHBondContact O-N 3.16Å |
| 29 | C | 55.8 | Low | 57.9 | Low | 103 Ų | 103 | 122.7 Ų | 122.7 | 70% | 0.696 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -56 | -29.2 | 172.9 | -60.2 | 0 | 0 | 0 | 0 | 114.4 | G27 R33 | G27-C29 PolarHBondContact O-N 2.91Å; C29-R33 WeakPolarHBondContact O-CB 3.42Å; C29-R33 PolarHBondContact O-N 2.97Å |
| 30 | T | 64.6 | Low | 58.7 | Low | 55 Ų | 55 | 118.8 Ų | 118.8 | 34% | 0.337 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -74 | -26.8 | -178.7 | 67 | 0 | 0 | 0 | 0 | 113.2 | S26 G27 K28 K34 | S26-T30 WeakPolarHBondContact OG-CB 3.49Å; S26-T30 WeakPolarHBondContact OG-CG2 3.33Å; S26-T30 PolarHBondContact OG-OG1 3.03Å; G27-T30 PolarHBondContact O-N 3.02Å; G27-T30 PolarHBondContact O-OG1 2.68Å; K28-T30 PolarHBondContact O-N 3.19Å; T30-K34 WeakPolarHBondContact O-CB 3.03Å; T30-K34 VanDerWaalsContact O-CG 3.31Å; T30-K34 WeakPolarHBondContact O-CG 3.25Å; T30-K34 PolarHBondContact O-N 2.99Å |
| 31 | L | 67.6 | Low | 59.7 | Low | 98 Ų | 98 | 112.8 Ų | 112.8 | 51% | 0.513 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -73.6 | -44.1 | 179.7 | -170.9 | 67 | 0 | 0 | 0 | 111.3 | K28 R33 K34 R35 | K28-L31 PolarHBondContact O-N 3.16Å; L31-R33 VanDerWaalsContact C-N 3.28Å; L31-R33 PolarHBondContact O-N 2.99Å; L31-K34 PolarHBondContact O-N 3.45Å; L31-R35 PolarHBondContact O-N 2.92Å |
| 32 | A | 66.5 | Low | 60.7 | Low | 48 Ų | 48 | 111.4 Ų | 111.4 | 40% | 0.397 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -59 | -43.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | K34 R35 L36 W109 | A32-K34 PolarHBondContact O-N 3.43Å; A32-R35 PolarHBondContact O-N 3.08Å; A32-L36 VanDerWaalsContact O-CB 3.26Å; A32-L36 WeakPolarHBondContact O-CB 3.07Å; A32-L36 PolarHBondContact O-N 3.5Å; A32-W109 HydrophobicContact CB-CH2 4.1Å |
| 33 | R | 70.8 | Confident | 62 | Low | 125 Ų | 125 | 111.8 Ų | 111.8 | 47% | 0.472 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.1 | -40.7 | 174.3 | -169.6 | 176.3 | -178.5 | -170.9 | -1.2 | 113 | C29 L31 K37 M111 | C29-R33 WeakPolarHBondContact O-CB 3.42Å; C29-R33 PolarHBondContact O-N 2.97Å; L31-R33 VanDerWaalsContact C-N 3.28Å; L31-R33 PolarHBondContact O-N 2.99Å; R33-K37 WeakPolarHBondContact O-CB 3.1Å; R33-K37 PolarHBondContact O-N 2.99Å; R33-M111 PolarHBondContact NH2-O 3.46Å |
| 34 | K | 71.1 | Confident | 63.4 | Low | 146 Ų | 146 | 113.8 Ų | 113.8 | 64% | 0.635 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.5 | -48.1 | 176 | -79.7 | 179.2 | -177.9 | -175.1 | 0 | 111.8 | T30 L31 A32 L36 K37 Q38 | T30-K34 WeakPolarHBondContact O-CB 3.03Å; T30-K34 VanDerWaalsContact O-CG 3.31Å; T30-K34 WeakPolarHBondContact O-CG 3.25Å; T30-K34 PolarHBondContact O-N 2.99Å; L31-K34 PolarHBondContact O-N 3.45Å; A32-K34 PolarHBondContact O-N 3.43Å; K34-L36 VanDerWaalsContact C-N 3.32Å; K34-L36 PolarHBondContact O-N 3.39Å; K34-K37 PolarHBondContact O-N 3.42Å; K34-Q38 PolarHBondContact O-N 3.26Å |
| 35 | R | 72.1 | Confident | 65.2 | Low | 172 Ų | 172 | 104.7 Ų | 104.7 | 65% | 0.649 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.4 | -43.4 | 176.6 | -73.2 | -175.3 | 176.1 | -174.1 | -0.9 | 111.1 | L31 A32 Q38 V39 | L31-R35 PolarHBondContact O-N 2.92Å; A32-R35 PolarHBondContact O-N 3.08Å; R35-Q38 WeakPolarHBondContact O-CB 3.45Å; R35-Q38 PolarHBondContact O-N 3.45Å; R35-V39 WeakPolarHBondContact O-CG2 3.35Å; R35-V39 PolarHBondContact O-N 3.48Å |
| 36 | L | 63.5 | Low | 66.6 | Low | 15 Ų | 15 | 101.4 Ų | 101.4 | 8% | 0.079 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -65.9 | -42.2 | 179.3 | -174.3 | 53.5 | 0 | 0 | 0 | 112.1 | A32 K34 Q38 V39 F40 F106 W109 A110 | A32-L36 VanDerWaalsContact O-CB 3.26Å; A32-L36 WeakPolarHBondContact O-CB 3.07Å; A32-L36 PolarHBondContact O-N 3.5Å; K34-L36 VanDerWaalsContact C-N 3.32Å; K34-L36 PolarHBondContact O-N 3.39Å; L36-Q38 PolarHBondContact O-N 2.94Å; L36-V39 PolarHBondContact O-N 2.88Å; L36-V39 VanDerWaalsContact O-N 3.09Å; L36-F40 HydrophobicContact CD1-CD2 3.68Å; L36-F40 HydrophobicContact CD1-CE2 3.49Å; L36-F40 VanDerWaalsContact CD1-CE2 3.49Å; L36-F40 HydrophobicContact CD2-CE2 3.98Å; L36-F40 HydrophobicContact CG-CD2 3.69Å; L36-F40 HydrophobicContact CG-CE2 3.58Å; L36-F40 WeakPolarHBondContact O-CD2 3.38Å; L36-F40 PolarHBondContact O-N 3.39Å; L36-F106 HydrophobicContact CD1-CD1 4.41Å; L36-F106 HydrophobicContact CD1-CE1 3.37Å; L36-F106 HydrophobicContact CD1-CE2 4.39Å; L36-F106 HydrophobicContact CD1-CZ 3.35Å; L36-F106 HydrophobicContact CD2-CD2 4.42Å; L36-F106 HydrophobicContact CD2-CE1 3.97Å; L36-F106 HydrophobicContact CD2-CE2 3.83Å; L36-F106 HydrophobicContact CD2-CZ 3.58Å; L36-F106 HydrophobicContact CG-CE1 4.29Å; L36-F106 HydrophobicContact CG-CZ 4.12Å; L36-W109 HydrophobicContact CD2-CE3 3.43Å; L36-W109 VanDerWaalsContact CD2-CE3 3.43Å; L36-W109 HydrophobicContact CD2-CZ3 3.43Å; L36-W109 VanDerWaalsContact CD2-CZ3 3.43Å; L36-A110 HydrophobicContact CD2-CB 3.54Å; L36-A110 HydrophobicContact CG-CB 3.82Å |
| 37 | K | 65.8 | Low | 67.9 | Low | 142 Ų | 142 | 103.2 Ų | 103.2 | 62% | 0.617 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -58.4 | -37.6 | 173.3 | -170.3 | 175.4 | -177.1 | 179.1 | 0 | 111.9 | R33 K34 N41 | R33-K37 WeakPolarHBondContact O-CB 3.1Å; R33-K37 PolarHBondContact O-N 2.99Å; K34-K37 PolarHBondContact O-N 3.42Å; K37-N41 PolarHBondContact O-N 3.06Å; K37-N41 VanDerWaalsContact O-N 3.09Å |
| 38 | Q | 68.1 | Low | 69.4 | Low | 123 Ų | 123 | 104.1 Ų | 104.1 | 58% | 0.575 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.9 | -42.7 | 174.7 | -174.9 | 173.2 | -4.1 | 0 | 0 | 111.7 | K34 R35 L36 N41 M42 | K34-Q38 PolarHBondContact O-N 3.26Å; R35-Q38 WeakPolarHBondContact O-CB 3.45Å; R35-Q38 PolarHBondContact O-N 3.45Å; L36-Q38 PolarHBondContact O-N 2.94Å; Q38-N41 PolarHBondContact O-N 3.32Å; Q38-M42 HydrophobicContact CG-CE 3.85Å; Q38-M42 WeakPolarHBondContact O-CG 3.36Å; Q38-M42 PolarHBondContact O-N 2.93Å |
| 39 | V | 62.4 | Low | 70.6 | Confident | 82 Ų | 82 | 96 Ų | 96 | 50% | 0.497 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.5 | -45.4 | 175.4 | 174.3 | 0 | 0 | 0 | 0 | 111.7 | R35 L36 N41 M42 | R35-V39 WeakPolarHBondContact O-CG2 3.35Å; R35-V39 PolarHBondContact O-N 3.48Å; L36-V39 PolarHBondContact O-N 2.88Å; L36-V39 VanDerWaalsContact O-N 3.09Å; V39-N41 VanDerWaalsContact C-N 3.26Å; V39-N41 PolarHBondContact O-N 2.94Å; V39-M42 VanDerWaalsContact O-CB 3.23Å; V39-M42 WeakPolarHBondContact O-CB 3.31Å; V39-M42 PolarHBondContact O-N 2.79Å |
| 40 | F | 64 | Low | 71.9 | Confident | 18 Ų | 18 | 94.2 Ų | 94.2 | 8% | 0.079 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -63.9 | -29.2 | 176.2 | -87 | -76.7 | 0 | 0 | 0 | 113.4 | L36 M42 Y45 Y46 F106 K107 A110 | L36-F40 HydrophobicContact CD1-CD2 3.68Å; L36-F40 HydrophobicContact CD1-CE2 3.49Å; L36-F40 VanDerWaalsContact CD1-CE2 3.49Å; L36-F40 HydrophobicContact CD2-CE2 3.98Å; L36-F40 HydrophobicContact CG-CD2 3.69Å; L36-F40 HydrophobicContact CG-CE2 3.58Å; L36-F40 WeakPolarHBondContact O-CD2 3.38Å; L36-F40 PolarHBondContact O-N 3.39Å; F40-M42 PolarHBondContact O-N 2.79Å; F40-Y45 AromaticContact CD1-CD1 3.78Å; F40-Y45 HydrophobicContact CD1-CD1 3.78Å; F40-Y45 AromaticContact CD1-CE1 3.47Å; F40-Y45 HydrophobicContact CD1-CE1 3.47Å; F40-Y45 VanDerWaalsContact CD1-CE1 3.47Å; F40-Y45 HydrophobicContact CD1-CE2 4.22Å; F40-Y45 HydrophobicContact CD1-CG 4.31Å; F40-Y45 AromaticContact CD1-CZ 3.7Å; F40-Y45 HydrophobicContact CE1-CD1 4.22Å; F40-Y45 AromaticContact CE1-CE1 3.46Å; F40-Y45 HydrophobicContact CE1-CE1 3.46Å; F40-Y45 VanDerWaalsContact CE1-CE1 3.46Å; F40-Y45 AromaticContact CE1-CE2 3.89Å; F40-Y45 HydrophobicContact CE1-CE2 3.89Å; F40-Y45 AromaticContact CE1-CZ 3.25Å; F40-Y45 WeakPolarHBondContact CE1-OH 3.17Å; F40-Y45 HydrophobicContact CZ-CE2 4.45Å; F40-Y46 WeakPolarHBondContact O-CE2 3.45Å; F40-F106 HydrophobicContact CE2-CD1 4.09Å; F40-F106 HydrophobicContact CE2-CE1 4.09Å; F40-F106 AromaticContact CZ-CD1 3.89Å; F40-F106 HydrophobicContact CZ-CD1 3.89Å; F40-F106 HydrophobicContact CZ-CE1 4.27Å; F40-K107 HydrophobicContact CE1-CB 4.4Å; F40-K107 HydrophobicContact CE1-CG 3.99Å; F40-K107 HydrophobicContact CZ-CB 4.25Å; F40-K107 HydrophobicContact CZ-CG 4.27Å; F40-A110 HydrophobicContact CD2-CB 3.67Å; F40-A110 HydrophobicContact CE2-CB 3.28Å; F40-A110 HydrophobicContact CZ-CB 4.1Å |
| 41 | N | 64.8 | Low | 72.9 | Confident | 110 Ų | 110 | 93.7 Ų | 93.7 | 59% | 0.588 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -10.6 | 174.4 | -106.4 | 6.1 | 0 | 0 | 0 | 113.2 | K37 Q38 V39 R43 | K37-N41 PolarHBondContact O-N 3.06Å; K37-N41 VanDerWaalsContact O-N 3.09Å; Q38-N41 PolarHBondContact O-N 3.32Å; V39-N41 VanDerWaalsContact C-N 3.26Å; V39-N41 PolarHBondContact O-N 2.94Å; N41-R43 PolarHBondContact O-N 3.41Å |
| 42 | M | 68.5 | Low | 73.8 | Confident | 89 Ų | 89 | 91.3 Ų | 91.3 | 44% | 0.438 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -68.1 | 128.8 | 176.3 | -64.4 | -61.9 | 172.6 | 0 | 0 | 109.9 | Q38 V39 F40 K44 Y45 | Q38-M42 HydrophobicContact CG-CE 3.85Å; Q38-M42 WeakPolarHBondContact O-CG 3.36Å; Q38-M42 PolarHBondContact O-N 2.93Å; V39-M42 VanDerWaalsContact O-CB 3.23Å; V39-M42 WeakPolarHBondContact O-CB 3.31Å; V39-M42 PolarHBondContact O-N 2.79Å; F40-M42 PolarHBondContact O-N 2.79Å; M42-K44 HydrophobicContact CB-CB 4.47Å; M42-K44 PolarHBondContact O-N 3.02Å; M42-Y45 PolarHBondContact O-N 2.98Å |
| 43 | R | 73.3 | Confident | 74.7 | Confident | 206 Ų | 206 | 89.6 Ų | 89.6 | 78% | 0.777 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -50.5 | -31.1 | 172.1 | -172.5 | -177.4 | -81.8 | -178.8 | -4.4 | 111.7 | N41 Y46 L47 | N41-R43 PolarHBondContact O-N 3.41Å; R43-Y46 PolarHBondContact O-N 3.07Å; R43-L47 PolarHBondContact O-N 2.65Å |
| 44 | K | 77.4 | Confident | 75.4 | Confident | 173 Ų | 173 | 85.6 Ų | 85.6 | 75% | 0.752 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -61.9 | -39.9 | 177.3 | -63.2 | -175.5 | 179 | -177.6 | 0 | 113.7 | M42 L47 S48 | M42-K44 HydrophobicContact CB-CB 4.47Å; M42-K44 PolarHBondContact O-N 3.02Å; K44-L47 PolarHBondContact O-N 3.5Å; K44-S48 WeakPolarHBondContact O-CB 3.35Å; K44-S48 PolarHBondContact O-N 3.24Å |
| 45 | Y | 80 | Confident | 76.2 | Confident | 41 Ų | 41 | 82.9 Ų | 82.9 | 16% | 0.161 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -62.7 | -49.3 | 179.2 | 178.1 | -93.7 | 0 | 0 | 0 | 110.7 | F40 M42 L47 S48 V49 E103 | F40-Y45 AromaticContact CD1-CD1 3.78Å; F40-Y45 HydrophobicContact CD1-CD1 3.78Å; F40-Y45 AromaticContact CD1-CE1 3.47Å; F40-Y45 HydrophobicContact CD1-CE1 3.47Å; F40-Y45 VanDerWaalsContact CD1-CE1 3.47Å; F40-Y45 HydrophobicContact CD1-CE2 4.22Å; F40-Y45 HydrophobicContact CD1-CG 4.31Å; F40-Y45 AromaticContact CD1-CZ 3.7Å; F40-Y45 HydrophobicContact CE1-CD1 4.22Å; F40-Y45 AromaticContact CE1-CE1 3.46Å; F40-Y45 HydrophobicContact CE1-CE1 3.46Å; F40-Y45 VanDerWaalsContact CE1-CE1 3.46Å; F40-Y45 AromaticContact CE1-CE2 3.89Å; F40-Y45 HydrophobicContact CE1-CE2 3.89Å; F40-Y45 AromaticContact CE1-CZ 3.25Å; F40-Y45 WeakPolarHBondContact CE1-OH 3.17Å; F40-Y45 HydrophobicContact CZ-CE2 4.45Å; M42-Y45 PolarHBondContact O-N 2.98Å; Y45-L47 VanDerWaalsContact C-N 3.32Å; Y45-L47 PolarHBondContact O-N 3.33Å; Y45-S48 WeakPolarHBondContact O-CB 3.43Å; Y45-S48 PolarHBondContact O-N 2.82Å; Y45-S48 VanDerWaalsContact O-N 3.14Å; Y45-V49 HydrophobicContact CD1-CG2 4.11Å; Y45-V49 HydrophobicContact CE1-CG2 3.59Å; Y45-V49 HydrophobicContact CE2-CG2 4.28Å; Y45-V49 WeakPolarHBondContact O-CG2 3.48Å; Y45-V49 PolarHBondContact O-N 3.47Å; Y45-E103 WeakPolarHBondContact OH-CG 3.2Å; Y45-E103 PolarHBondContact OH-OE1 2.91Å |
| 46 | Y | 78.2 | Confident | 76.9 | Confident | 53 Ų | 53 | 75 Ų | 75 | 21% | 0.208 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60.8 | -41.9 | 177 | -67.7 | -63 | 0 | 0 | 0 | 112.4 | F40 R43 S48 V49 I50 F193 | F40-Y46 WeakPolarHBondContact O-CE2 3.45Å; R43-Y46 PolarHBondContact O-N 3.07Å; Y46-S48 VanDerWaalsContact C-N 3.31Å; Y46-S48 PolarHBondContact O-N 3.45Å; Y46-V49 PolarHBondContact O-N 3.03Å; Y46-I50 WeakPolarHBondContact O-CB 3.31Å; Y46-I50 VanDerWaalsContact O-CD1 3.25Å; Y46-I50 WeakPolarHBondContact O-CD1 3.4Å; Y46-I50 WeakPolarHBondContact O-CG1 3.45Å; Y46-I50 PolarHBondContact O-N 3.03Å; Y46-F193 AromaticContact CD1-CE1 3.56Å; Y46-F193 HydrophobicContact CD1-CE1 3.56Å; Y46-F193 AromaticContact CD1-CZ 3.76Å; Y46-F193 HydrophobicContact CD1-CZ 3.76Å; Y46-F193 AromaticContact CE1-CE1 3.69Å; Y46-F193 HydrophobicContact CE1-CE1 3.69Å; Y46-F193 AromaticContact CE1-CZ 3.36Å; Y46-F193 HydrophobicContact CE1-CZ 3.36Å |
| 47 | L | 80.2 | Confident | 78 | Confident | 123 Ų | 123 | 75.6 Ų | 75.6 | 64% | 0.644 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -62.2 | -40.8 | 175.9 | -174.5 | 63 | 0 | 0 | 0 | 111.6 | R43 K44 Y45 I50 G51 | R43-L47 PolarHBondContact O-N 2.65Å; K44-L47 PolarHBondContact O-N 3.5Å; Y45-L47 VanDerWaalsContact C-N 3.32Å; Y45-L47 PolarHBondContact O-N 3.33Å; L47-I50 PolarHBondContact O-N 3.32Å; L47-G51 PolarHBondContact O-N 3.43Å |
| 48 | S | 84.1 | Confident | 79.1 | Confident | 65 Ų | 65 | 73.2 Ų | 73.2 | 46% | 0.455 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.7 | -49.9 | 176.5 | -166.8 | 0 | 0 | 0 | 0 | 111.3 | K44 Y45 Y46 I50 G51 L52 | K44-S48 WeakPolarHBondContact O-CB 3.35Å; K44-S48 PolarHBondContact O-N 3.24Å; Y45-S48 WeakPolarHBondContact O-CB 3.43Å; Y45-S48 PolarHBondContact O-N 2.82Å; Y45-S48 VanDerWaalsContact O-N 3.14Å; Y46-S48 VanDerWaalsContact C-N 3.31Å; Y46-S48 PolarHBondContact O-N 3.45Å; S48-I50 VanDerWaalsContact C-N 3.3Å; S48-I50 PolarHBondContact O-N 3.29Å; S48-G51 PolarHBondContact O-N 2.9Å; S48-G51 VanDerWaalsContact O-N 3.13Å; S48-L52 WeakPolarHBondContact O-CD1 3.49Å; S48-L52 PolarHBondContact O-N 3.43Å; S48-L52 WeakPolarHBondContact OG-CD1 3.29Å |
| 49 | V | 83.4 | Confident | 80 | Confident | 30 Ų | 30 | 67.8 Ų | 67.8 | 18% | 0.182 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -57.8 | -45.5 | 178.5 | 172.2 | 0 | 0 | 0 | 0 | 110.4 | Y45 Y46 G51 L52 T53 F100 E103 | Y45-V49 HydrophobicContact CD1-CG2 4.11Å; Y45-V49 HydrophobicContact CE1-CG2 3.59Å; Y45-V49 HydrophobicContact CE2-CG2 4.28Å; Y45-V49 WeakPolarHBondContact O-CG2 3.48Å; Y45-V49 PolarHBondContact O-N 3.47Å; Y46-V49 PolarHBondContact O-N 3.03Å; V49-G51 VanDerWaalsContact C-N 3.35Å; V49-G51 PolarHBondContact O-N 3.36Å; V49-L52 PolarHBondContact O-N 2.89Å; V49-T53 PolarHBondContact O-N 2.98Å; V49-T53 PolarHBondContact O-OG1 3.23Å; V49-F100 HydrophobicContact CG1-CE1 4.35Å; V49-E103 WeakPolarHBondContact CG2-OE1 3.34Å |
| 50 | I | 83.1 | Confident | 81.1 | Confident | 64 Ų | 64 | 64.3 Ų | 64.3 | 33% | 0.328 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.9 | -44.3 | 177.1 | -67 | 160.2 | 0 | 0 | 0 | 111.2 | Y46 L47 S48 T53 G54 I190 I194 | Y46-I50 WeakPolarHBondContact O-CB 3.31Å; Y46-I50 VanDerWaalsContact O-CD1 3.25Å; Y46-I50 WeakPolarHBondContact O-CD1 3.4Å; Y46-I50 WeakPolarHBondContact O-CG1 3.45Å; Y46-I50 PolarHBondContact O-N 3.03Å; L47-I50 PolarHBondContact O-N 3.32Å; S48-I50 VanDerWaalsContact C-N 3.3Å; S48-I50 PolarHBondContact O-N 3.29Å; I50-T53 PolarHBondContact O-N 3.27Å; I50-G54 PolarHBondContact O-N 2.87Å; I50-I190 HydrophobicContact CG1-CG2 4.39Å; I50-I194 HydrophobicContact CD1-CD1 4.35Å; I50-I194 HydrophobicContact CD1-CG1 4.32Å |
| 51 | G | 85.8 | Confident | 82.2 | Confident | 44 Ų | 44 | 67.9 Ų | 67.9 | 45% | 0.454 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.6 | -45.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L47 S48 V49 T53 G54 F55 | L47-G51 PolarHBondContact O-N 3.43Å; S48-G51 PolarHBondContact O-N 2.9Å; S48-G51 VanDerWaalsContact O-N 3.13Å; V49-G51 VanDerWaalsContact C-N 3.35Å; V49-G51 PolarHBondContact O-N 3.36Å; G51-T53 VanDerWaalsContact C-N 3.33Å; G51-T53 PolarHBondContact O-N 3.37Å; G51-G54 PolarHBondContact O-N 2.94Å; G51-F55 WeakPolarHBondContact O-CB 3.45Å; G51-F55 PolarHBondContact O-N 3.29Å |
| 52 | L | 87 | Confident | 83.3 | Confident | 48 Ų | 48 | 64.8 Ų | 64.8 | 25% | 0.251 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.2 | -41.2 | 175.8 | -89.5 | 119.5 | 0 | 0 | 0 | 111.7 | S48 V49 F55 E56 I96 L99 F100 | S48-L52 WeakPolarHBondContact O-CD1 3.49Å; S48-L52 PolarHBondContact O-N 3.43Å; S48-L52 WeakPolarHBondContact OG-CD1 3.29Å; V49-L52 PolarHBondContact O-N 2.89Å; L52-F55 PolarHBondContact O-N 2.89Å; L52-E56 WeakPolarHBondContact O-CB 3.43Å; L52-E56 PolarHBondContact O-N 3.17Å; L52-I96 HydrophobicContact CD2-CD1 4.15Å; L52-I96 HydrophobicContact CD2-CG2 4.4Å; L52-L99 HydrophobicContact CD2-CD1 3.89Å; L52-F100 HydrophobicContact CB-CE1 4.43Å; L52-F100 HydrophobicContact CB-CE2 4.42Å; L52-F100 HydrophobicContact CB-CZ 3.74Å |
| 53 | T | 84.1 | Confident | 84 | Confident | 13 Ų | 13 | 61.2 Ų | 61.2 | 8% | 0.08 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -72.2 | -33.8 | 178.2 | -45.2 | 0 | 0 | 0 | 0 | 112 | V49 I50 G51 F55 E56 A57 F100 R186 I190 | V49-T53 PolarHBondContact O-N 2.98Å; V49-T53 PolarHBondContact O-OG1 3.23Å; I50-T53 PolarHBondContact O-N 3.27Å; G51-T53 VanDerWaalsContact C-N 3.33Å; G51-T53 PolarHBondContact O-N 3.37Å; T53-F55 VanDerWaalsContact C-N 3.33Å; T53-E56 WeakPolarHBondContact O-CB 3.47Å; T53-E56 PolarHBondContact O-N 3.48Å; T53-A57 PolarHBondContact O-N 3.23Å; T53-F100 VanDerWaalsContact OG1-CZ 3.23Å; T53-F100 WeakPolarHBondContact OG1-CZ 3.49Å; T53-R186 HydrophobicContact CG2-CB 4.46Å; T53-I190 HydrophobicContact CG2-CD1 3.21Å; T53-I190 HydrophobicContact CG2-CG1 4.07Å |
| 54 | G | 85.8 | Confident | 84.5 | Confident | 41 Ų | 41 | 53.4 Ų | 53.4 | 42% | 0.423 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | I50 G51 A57 L58 | I50-G54 PolarHBondContact O-N 2.87Å; G51-G54 PolarHBondContact O-N 2.94Å; G54-A57 PolarHBondContact O-N 3Å; G54-L58 PolarHBondContact O-N 2.9Å; G54-L58 VanDerWaalsContact O-N 3.09Å |
| 55 | F | 88.6 | Confident | 85 | Confident | 88 Ų | 88 | 49.3 Ų | 49.3 | 39% | 0.386 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.8 | -41.4 | 175.4 | -169.3 | -107.6 | 0 | 0 | 0 | 111.9 | G51 L52 T53 A57 L58 L59 L92 I96 | G51-F55 WeakPolarHBondContact O-CB 3.45Å; G51-F55 PolarHBondContact O-N 3.29Å; L52-F55 PolarHBondContact O-N 2.89Å; T53-F55 VanDerWaalsContact C-N 3.33Å; F55-A57 PolarHBondContact O-N 2.76Å; F55-L58 WeakPolarHBondContact O-CB 3.36Å; F55-L58 PolarHBondContact O-N 3.18Å; F55-L59 HydrophobicContact CD1-CD1 3.77Å; F55-L59 HydrophobicContact CD1-CG 4.13Å; F55-L59 HydrophobicContact CE1-CD1 3.58Å; F55-L59 HydrophobicContact CE1-CD2 4.1Å; F55-L59 HydrophobicContact CE1-CG 3.93Å; F55-L59 HydrophobicContact CZ-CD1 4.39Å; F55-L59 HydrophobicContact CZ-CD2 4.08Å; F55-L59 HydrophobicContact CZ-CG 4.31Å; F55-L59 WeakPolarHBondContact O-CG 3.34Å; F55-L59 PolarHBondContact O-N 3.45Å; F55-L92 HydrophobicContact CE1-CD2 4.29Å; F55-L92 HydrophobicContact CZ-CD2 4.31Å; F55-I96 HydrophobicContact CD1-CD1 4.06Å; F55-I96 HydrophobicContact CD1-CG1 4.13Å; F55-I96 HydrophobicContact CE1-CD1 4.31Å; F55-I96 HydrophobicContact CE1-CG1 4.34Å |
| 56 | E | 87.6 | Confident | 85.2 | Confident | 8 Ų | 8 | 49.8 Ų | 49.8 | 4% | 0.037 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -55.9 | -48.9 | 172.5 | -172.2 | -165.5 | 169 | 0 | 0 | 111.5 | L52 T53 L58 L59 V60 I96 L97 F100 R186 | L52-E56 WeakPolarHBondContact O-CB 3.43Å; L52-E56 PolarHBondContact O-N 3.17Å; T53-E56 WeakPolarHBondContact O-CB 3.47Å; T53-E56 PolarHBondContact O-N 3.48Å; E56-L58 VanDerWaalsContact C-N 3.27Å; E56-L58 PolarHBondContact O-N 3.44Å; E56-L59 PolarHBondContact O-N 3.2Å; E56-V60 WeakPolarHBondContact O-CG2 3.38Å; E56-V60 PolarHBondContact O-N 2.88Å; E56-I96 HydrophobicContact CB-CG2 3.93Å; E56-I96 HydrophobicContact CG-CG2 4.29Å; E56-L97 WeakPolarHBondContact OE1-CD2 3.23Å; E56-F100 HydrophobicContact CB-CE2 4.38Å; E56-F100 WeakPolarHBondContact OE2-CE2 3.33Å; E56-R186 VanDerWaalsContact CD-NH1 3.3Å; E56-R186 WeakPolarHBondContact OE1-CD 3.39Å; E56-R186 IonicContact OE1-CZ 2.9Å; E56-R186 IonicContact OE1-NE 3.04Å; E56-R186 PolarHBondContact OE1-NE 3.42Å; E56-R186 IonicContact OE1-NH1 2.95Å; E56-R186 PolarHBondContact OE1-NH1 3.31Å; E56-R186 IonicContact OE1-NH2 3.53Å; E56-R186 IonicContact OE2-CZ 3.59Å; E56-R186 IonicContact OE2-NE 3.88Å; E56-R186 IonicContact OE2-NH1 2.84Å; E56-R186 PolarHBondContact OE2-NH1 3.49Å |
| 57 | A | 85.3 | Confident | 85.3 | Confident | 26 Ų | 26 | 49.7 Ų | 49.7 | 22% | 0.215 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.2 | -38.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | T53 G54 F55 L61 I183 | T53-A57 PolarHBondContact O-N 3.23Å; G54-A57 PolarHBondContact O-N 3Å; F55-A57 PolarHBondContact O-N 2.76Å; A57-L61 WeakPolarHBondContact O-CB 3.26Å; A57-L61 PolarHBondContact O-N 3.45Å; A57-I183 HydrophobicContact CB-CG2 4.31Å |
| 58 | L | 89.2 | Confident | 85.2 | Confident | 93 Ų | 93 | 47.8 Ų | 47.8 | 49% | 0.487 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -66.6 | -43.5 | 175.6 | -176.1 | 63.8 | 0 | 0 | 0 | 111.9 | G54 F55 E56 V60 L61 C62 | G54-L58 PolarHBondContact O-N 2.9Å; G54-L58 VanDerWaalsContact O-N 3.09Å; F55-L58 WeakPolarHBondContact O-CB 3.36Å; F55-L58 PolarHBondContact O-N 3.18Å; E56-L58 VanDerWaalsContact C-N 3.27Å; E56-L58 PolarHBondContact O-N 3.44Å; L58-V60 PolarHBondContact O-N 3.41Å; L58-L61 WeakPolarHBondContact O-CB 3.39Å; L58-L61 PolarHBondContact O-N 2.82Å; L58-C62 PolarHBondContact O-N 3.34Å; L58-C62 PolarHBondContact O-SG 2.94Å |
| 59 | L | 88.2 | Confident | 85.2 | Confident | 9 Ų | 9 | 48.5 Ų | 48.5 | 5% | 0.047 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 178.2 | -69.9 | 175.8 | 0 | 0 | 0 | 112.3 | F55 E56 L61 C62 R63 L89 L92 I96 | F55-L59 HydrophobicContact CD1-CD1 3.77Å; F55-L59 HydrophobicContact CD1-CG 4.13Å; F55-L59 HydrophobicContact CE1-CD1 3.58Å; F55-L59 HydrophobicContact CE1-CD2 4.1Å; F55-L59 HydrophobicContact CE1-CG 3.93Å; F55-L59 HydrophobicContact CZ-CD1 4.39Å; F55-L59 HydrophobicContact CZ-CD2 4.08Å; F55-L59 HydrophobicContact CZ-CG 4.31Å; F55-L59 WeakPolarHBondContact O-CG 3.34Å; F55-L59 PolarHBondContact O-N 3.45Å; E56-L59 PolarHBondContact O-N 3.2Å; L59-L61 VanDerWaalsContact C-N 3.34Å; L59-C62 PolarHBondContact O-N 3.46Å; L59-R63 WeakPolarHBondContact O-CB 3.46Å; L59-R63 PolarHBondContact O-N 2.92Å; L59-L89 HydrophobicContact CD2-CD2 3.96Å; L59-L92 HydrophobicContact CD1-CB 4.43Å; L59-L92 HydrophobicContact CD1-CD2 4.1Å; L59-L92 HydrophobicContact CD1-CG 3.73Å; L59-L92 HydrophobicContact CD2-CD2 3.52Å; L59-L92 HydrophobicContact CD2-CG 4.05Å; L59-L92 HydrophobicContact CG-CD2 4.46Å; L59-I96 HydrophobicContact CD1-CG1 3.9Å |
| 60 | V | 83.8 | Confident | 85 | Confident | 8 Ų | 8 | 49.2 Ų | 49.2 | 5% | 0.048 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.9 | -39.9 | 176.8 | -178.8 | 0 | 0 | 0 | 0 | 110.6 | E56 L58 R63 V64 F179 I183 | E56-V60 WeakPolarHBondContact O-CG2 3.38Å; E56-V60 PolarHBondContact O-N 2.88Å; L58-V60 PolarHBondContact O-N 3.41Å; V60-R63 WeakPolarHBondContact O-CB 3.37Å; V60-R63 PolarHBondContact O-N 3.38Å; V60-V64 WeakPolarHBondContact O-CG2 3.45Å; V60-V64 PolarHBondContact O-N 3.07Å; V60-F179 HydrophobicContact CG1-CB 4.16Å; V60-F179 HydrophobicContact CG1-CD1 4.02Å; V60-F179 HydrophobicContact CG1-CG 4.35Å; V60-I183 HydrophobicContact CB-CD1 4.1Å; V60-I183 HydrophobicContact CB-CG1 4.45Å; V60-I183 HydrophobicContact CG1-CD1 3.69Å; V60-I183 HydrophobicContact CG1-CG1 4.25Å |
| 61 | L | 86.8 | Confident | 84.6 | Confident | 93 Ų | 93 | 51.8 Ų | 51.8 | 49% | 0.487 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.3 | -47.5 | 173.7 | 179.1 | 62.8 | 0 | 0 | 0 | 111.5 | A57 L58 L59 R63 V64 I65 | A57-L61 WeakPolarHBondContact O-CB 3.26Å; A57-L61 PolarHBondContact O-N 3.45Å; L58-L61 WeakPolarHBondContact O-CB 3.39Å; L58-L61 PolarHBondContact O-N 2.82Å; L59-L61 VanDerWaalsContact C-N 3.34Å; L61-R63 VanDerWaalsContact C-N 3.29Å; L61-R63 PolarHBondContact O-N 3.25Å; L61-V64 PolarHBondContact O-N 3.34Å; L61-I65 HydrophobicContact CD1-CD1 4Å; L61-I65 HydrophobicContact CD1-CG1 4.34Å; L61-I65 HydrophobicContact CG-CD1 3.88Å; L61-I65 VanDerWaalsContact O-CG1 3.3Å; L61-I65 WeakPolarHBondContact O-CG1 3.36Å; L61-I65 PolarHBondContact O-N 3.47Å |
| 62 | C | 88.3 | Confident | 84.2 | Confident | 46 Ų | 46 | 59.6 Ų | 59.6 | 31% | 0.311 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -58.8 | -40.8 | 175.6 | -70.9 | 0 | 0 | 0 | 0 | 112 | L58 L59 I65 L66 L89 | L58-C62 PolarHBondContact O-N 3.34Å; L58-C62 PolarHBondContact O-SG 2.94Å; L59-C62 PolarHBondContact O-N 3.46Å; C62-I65 PolarHBondContact O-N 3.04Å; C62-L66 PolarHBondContact O-N 2.91Å; C62-L89 HydrophobicContact CB-CD1 4.18Å |
| 63 | R | 84.4 | Confident | 83.5 | Confident | 14 Ų | 14 | 60.7 Ų | 60.7 | 5% | 0.053 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.8 | -49.8 | 176.1 | -176.6 | -174.2 | -175.4 | 173.6 | 7.2 | 111.7 | L59 V60 L61 I65 L66 E67 E90 D136 | L59-R63 WeakPolarHBondContact O-CB 3.46Å; L59-R63 PolarHBondContact O-N 2.92Å; V60-R63 WeakPolarHBondContact O-CB 3.37Å; V60-R63 PolarHBondContact O-N 3.38Å; L61-R63 VanDerWaalsContact C-N 3.29Å; L61-R63 PolarHBondContact O-N 3.25Å; R63-I65 VanDerWaalsContact C-N 3.35Å; R63-I65 PolarHBondContact O-N 3.1Å; R63-L66 PolarHBondContact O-N 3.36Å; R63-E67 PolarHBondContact O-N 3.34Å; R63-E90 IonicContact CZ-OE1 3.91Å; R63-E90 IonicContact NE-OE1 3.47Å; R63-E90 PolarHBondContact NE-OE1 3.19Å; R63-E90 VanDerWaalsContact NH2-CD 3.26Å; R63-E90 IonicContact NH2-OE1 3.93Å; R63-E90 PolarHBondContact NH2-OE1 3.04Å; R63-D136 IonicContact CZ-OD1 3.55Å; R63-D136 IonicContact NH1-OD1 2.84Å; R63-D136 PolarHBondContact NH1-OD1 3.35Å |
| 64 | V | 83.2 | Confident | 82.8 | Confident | 42 Ų | 42 | 64.9 Ų | 64.9 | 26% | 0.255 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.1 | -40.1 | -179.9 | 172.8 | 0 | 0 | 0 | 0 | 111.4 | V60 L61 E67 T68 | V60-V64 WeakPolarHBondContact O-CG2 3.45Å; V60-V64 PolarHBondContact O-N 3.07Å; L61-V64 PolarHBondContact O-N 3.34Å; V64-E67 PolarHBondContact O-N 2.93Å; V64-T68 PolarHBondContact O-N 3.36Å; V64-T68 PolarHBondContact O-OG1 2.97Å |
| 65 | I | 86.7 | Confident | 81.9 | Confident | 86 Ų | 86 | 68.5 Ų | 68.5 | 44% | 0.441 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.7 | -45.9 | 176.5 | -68.6 | 167.7 | 0 | 0 | 0 | 110.6 | L61 C62 R63 E67 T68 E69 | L61-I65 HydrophobicContact CD1-CD1 4Å; L61-I65 HydrophobicContact CD1-CG1 4.34Å; L61-I65 HydrophobicContact CG-CD1 3.88Å; L61-I65 VanDerWaalsContact O-CG1 3.3Å; L61-I65 WeakPolarHBondContact O-CG1 3.36Å; L61-I65 PolarHBondContact O-N 3.47Å; C62-I65 PolarHBondContact O-N 3.04Å; R63-I65 VanDerWaalsContact C-N 3.35Å; R63-I65 PolarHBondContact O-N 3.1Å; I65-E67 VanDerWaalsContact C-N 3.34Å; I65-E67 PolarHBondContact O-N 3.49Å; I65-T68 WeakPolarHBondContact O-CB 3.43Å; I65-T68 PolarHBondContact O-N 2.88Å; I65-T68 VanDerWaalsContact O-N 3.13Å; I65-E69 HydrophobicContact CG2-CG 4.49Å; I65-E69 PolarHBondContact O-N 3.16Å |
| 66 | L | 84.2 | Confident | 81.2 | Confident | 51 Ų | 51 | 66 Ų | 66 | 27% | 0.267 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.4 | -37.2 | 178.7 | -80.5 | 162.9 | 0 | 0 | 0 | 112.8 | C62 R63 T68 E69 S70 L89 | C62-L66 PolarHBondContact O-N 2.91Å; R63-L66 PolarHBondContact O-N 3.36Å; L66-T68 VanDerWaalsContact C-N 3.27Å; L66-T68 PolarHBondContact O-N 3.32Å; L66-E69 PolarHBondContact O-N 2.89Å; L66-S70 WeakPolarHBondContact O-CB 3.36Å; L66-S70 PolarHBondContact O-N 3.03Å; L66-L89 HydrophobicContact CD1-CD1 3.06Å; L66-L89 HydrophobicContact CD1-CG 4.45Å; L66-L89 HydrophobicContact CG-CD1 4.48Å |
| 67 | E | 80.4 | Confident | 80.6 | Confident | 51 Ų | 51 | 73.4 Ų | 73.4 | 24% | 0.238 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -61.7 | -39.9 | 172.6 | -174.3 | 165.9 | -162.7 | 0 | 0 | 111 | R63 V64 I65 S70 | R63-E67 PolarHBondContact O-N 3.34Å; V64-E67 PolarHBondContact O-N 2.93Å; I65-E67 VanDerWaalsContact C-N 3.34Å; I65-E67 PolarHBondContact O-N 3.49Å; E67-S70 PolarHBondContact O-N 3.28Å; E67-S70 PolarHBondContact O-OG 2.99Å |
| 68 | T | 80 | Confident | 80.3 | Confident | 83 Ų | 83 | 74.8 Ų | 74.8 | 51% | 0.509 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -65.1 | -44.5 | 176 | -52 | 0 | 0 | 0 | 0 | 112.1 | V64 I65 L66 S70 L71 | V64-T68 PolarHBondContact O-N 3.36Å; V64-T68 PolarHBondContact O-OG1 2.97Å; I65-T68 WeakPolarHBondContact O-CB 3.43Å; I65-T68 PolarHBondContact O-N 2.88Å; I65-T68 VanDerWaalsContact O-N 3.13Å; L66-T68 VanDerWaalsContact C-N 3.27Å; L66-T68 PolarHBondContact O-N 3.32Å; T68-S70 VanDerWaalsContact C-N 3.33Å; T68-S70 PolarHBondContact O-N 3.48Å; T68-L71 PolarHBondContact O-N 2.98Å |
| 69 | E | 84 | Confident | 79.7 | Confident | 80 Ų | 80 | 76 Ų | 76 | 37% | 0.374 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -67.4 | -34.7 | 177.5 | -71.2 | -59.5 | 135.5 | 0 | 0 | 111.9 | I65 L66 L71 R72 L73 | I65-E69 HydrophobicContact CG2-CG 4.49Å; I65-E69 PolarHBondContact O-N 3.16Å; L66-E69 PolarHBondContact O-N 2.89Å; E69-L71 PolarHBondContact O-N 3.17Å; E69-L71 VanDerWaalsContact O-N 3.13Å; E69-R72 PolarHBondContact O-N 3.08Å; E69-L73 HydrophobicContact CB-CD1 4.35Å; E69-L73 WeakPolarHBondContact O-CD1 3.37Å; E69-L73 PolarHBondContact O-N 2.94Å |
| 70 | S | 78.3 | Confident | 79.2 | Confident | 45 Ų | 45 | 85.1 Ų | 85.1 | 32% | 0.315 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -59.5 | -26.8 | 177.9 | 80.1 | 0 | 0 | 0 | 0 | 113.2 | L66 E67 T68 | L66-S70 WeakPolarHBondContact O-CB 3.36Å; L66-S70 PolarHBondContact O-N 3.03Å; E67-S70 PolarHBondContact O-N 3.28Å; E67-S70 PolarHBondContact O-OG 2.99Å; T68-S70 VanDerWaalsContact C-N 3.33Å; T68-S70 PolarHBondContact O-N 3.48Å |
| 71 | L | 75.2 | Confident | 79.2 | Confident | 119 Ų | 119 | 90.9 Ų | 90.9 | 62% | 0.623 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -21.8 | 176.1 | -64.9 | 172.7 | 0 | 0 | 0 | 113 | T68 E69 | T68-L71 PolarHBondContact O-N 2.98Å; E69-L71 PolarHBondContact O-N 3.17Å; E69-L71 VanDerWaalsContact O-N 3.13Å |
| 72 | R | 78 | Confident | 79 | Confident | 207 Ų | 207 | 88.1 Ų | 88.1 | 78% | 0.781 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | -24.2 | -172.9 | -162 | 172.3 | -172.9 | 170.4 | 2.5 | 113.2 | E69 | E69-R72 PolarHBondContact O-N 3.08Š|
| 73 | L | 72 | Confident | 78.6 | Confident | 71 Ų | 71 | 90.2 Ų | 90.2 | 37% | 0.372 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -88.3 | 138.6 | -176.4 | -80.5 | 85.7 | 0 | 0 | 0 | 112.6 | E69 I82 | E69-L73 HydrophobicContact CB-CD1 4.35Å; E69-L73 WeakPolarHBondContact O-CD1 3.37Å; E69-L73 PolarHBondContact O-N 2.94Å; L73-I82 HydrophobicContact CD2-CD1 3.89Å |
| 74 | P | 68.1 | Low | 78.6 | Confident | 101 Ų | 101 | 95.9 Ų | 95.9 | 66% | 0.656 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -67.6 | 153.2 | 173.1 | 27.6 | -33.3 | 0 | 0 | 0 | 111.9 | G76 | P74-G76 PolarHBondContact O-N 3.09Š|
| 75 | P | 67.5 | Low | 78.8 | Confident | 117 Ų | 117 | 95.2 Ų | 95.2 | 76% | 0.76 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -63.3 | 121 | -179.8 | 26.4 | -33.8 | 0 | 0 | 0 | 110.7 | ||
| 76 | G | 74.9 | Confident | 78.8 | Confident | 37 Ų | 37 | 92.6 Ų | 92.6 | 38% | 0.381 | 49% | 0.487 | S | S | . | . | S | Bend | trans | -170.4 | -174.8 | -178 | 0 | 0 | 0 | 0 | 0 | 112.4 | P74 S78 Q79 | P74-G76 PolarHBondContact O-N 3.09Å; G76-S78 PolarHBondContact O-N 3.3Å; G76-S78 VanDerWaalsContact O-N 3.11Å; G76-Q79 WeakPolarHBondContact O-CB 3.37Å; G76-Q79 PolarHBondContact O-N 3.32Å |
| 77 | N | 74.8 | Confident | 78.8 | Confident | 163 Ų | 163 | 94 Ų | 94 | 87% | 0.872 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -56.5 | -29.3 | -179.4 | -75.5 | -1.5 | 0 | 0 | 0 | 113.5 | Q79 R80 | N77-Q79 PolarHBondContact O-N 2.89Å; N77-R80 PolarHBondContact O-N 3.27Å |
| 78 | S | 78.1 | Confident | 79.3 | Confident | 55 Ų | 55 | 94.4 Ų | 94.4 | 39% | 0.385 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.3 | -30.2 | 172.9 | 46.4 | 0 | 0 | 0 | 0 | 113 | G76 R80 L81 I82 | G76-S78 PolarHBondContact O-N 3.3Å; G76-S78 VanDerWaalsContact O-N 3.11Å; S78-R80 VanDerWaalsContact C-N 3.33Å; S78-R80 PolarHBondContact O-N 3.09Å; S78-L81 PolarHBondContact O-N 3.4Å; S78-I82 WeakPolarHBondContact O-CG1 3.33Å; S78-I82 PolarHBondContact O-N 2.82Å; S78-I82 VanDerWaalsContact O-N 3.07Å |
| 79 | Q | 76.1 | Confident | 79.7 | Confident | 117 Ų | 117 | 92.1 Ų | 92.1 | 55% | 0.547 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.3 | -37 | 179.7 | -169.1 | 179 | 2.9 | 0 | 0 | 112 | G76 N77 I82 L83 | G76-Q79 WeakPolarHBondContact O-CB 3.37Å; G76-Q79 PolarHBondContact O-N 3.32Å; N77-Q79 PolarHBondContact O-N 2.89Å; Q79-I82 PolarHBondContact O-N 3.46Å; Q79-L83 WeakPolarHBondContact O-CB 3.45Å; Q79-L83 PolarHBondContact O-N 2.99Å |
| 80 | R | 78.6 | Confident | 79.7 | Confident | 202 Ų | 202 | 88.9 Ų | 88.9 | 76% | 0.762 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -66.4 | -42 | 178.1 | -173.4 | 177 | 177.6 | -179.5 | -0.4 | 111.6 | N77 S78 L83 E84 | N77-R80 PolarHBondContact O-N 3.27Å; S78-R80 VanDerWaalsContact C-N 3.33Å; S78-R80 PolarHBondContact O-N 3.09Å; R80-L83 PolarHBondContact O-N 3.01Å; R80-E84 PolarHBondContact O-N 3.39Å; R80-E84 VanDerWaalsContact O-N 3.07Å |
| 81 | L | 83.2 | Confident | 80.3 | Confident | 128 Ų | 128 | 90.1 Ų | 90.1 | 67% | 0.67 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.7 | -41.2 | 177.6 | -175.8 | 67.8 | 0 | 0 | 0 | 111.5 | S78 E84 G85 | S78-L81 PolarHBondContact O-N 3.4Å; L81-E84 PolarHBondContact O-N 3.34Å; L81-G85 PolarHBondContact O-N 3.25Å |
| 82 | I | 82.6 | Confident | 81 | Confident | 35 Ų | 35 | 87.5 Ų | 87.5 | 18% | 0.179 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -66 | -42.6 | 177.2 | -67.5 | 166.8 | 0 | 0 | 0 | 110.9 | L73 S78 Q79 E84 G85 Q86 | L73-I82 HydrophobicContact CD2-CD1 3.89Å; S78-I82 WeakPolarHBondContact O-CG1 3.33Å; S78-I82 PolarHBondContact O-N 2.82Å; S78-I82 VanDerWaalsContact O-N 3.07Å; Q79-I82 PolarHBondContact O-N 3.46Å; I82-E84 VanDerWaalsContact C-N 3.32Å; I82-E84 PolarHBondContact O-N 3.45Å; I82-G85 PolarHBondContact O-N 3.47Å; I82-Q86 WeakPolarHBondContact O-CB 3.42Å; I82-Q86 PolarHBondContact O-N 3.44Å |
| 83 | L | 80.9 | Confident | 81.5 | Confident | 91 Ų | 91 | 77.7 Ų | 77.7 | 48% | 0.476 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61 | -42.2 | 178.1 | -175.4 | 67.3 | 0 | 0 | 0 | 111.8 | Q79 R80 Q86 L87 | Q79-L83 WeakPolarHBondContact O-CB 3.45Å; Q79-L83 PolarHBondContact O-N 2.99Å; R80-L83 PolarHBondContact O-N 3.01Å; L83-Q86 PolarHBondContact O-N 2.86Å; L83-L87 PolarHBondContact O-N 2.87Å; L83-L87 VanDerWaalsContact O-N 3.07Å |
| 84 | E | 84.8 | Confident | 82.3 | Confident | 132 Ų | 132 | 76.2 Ų | 76.2 | 62% | 0.617 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -63.6 | -44.1 | 175.3 | -173.9 | 174 | -179.8 | 0 | 0 | 111.6 | R80 L81 I82 Q86 L87 A88 | R80-E84 PolarHBondContact O-N 3.39Å; R80-E84 VanDerWaalsContact O-N 3.07Å; L81-E84 PolarHBondContact O-N 3.34Å; I82-E84 VanDerWaalsContact C-N 3.32Å; I82-E84 PolarHBondContact O-N 3.45Å; E84-Q86 VanDerWaalsContact C-N 3.34Å; E84-Q86 PolarHBondContact O-N 3.05Å; E84-L87 PolarHBondContact O-N 3.27Å; E84-A88 WeakPolarHBondContact O-CB 3.47Å; E84-A88 PolarHBondContact O-N 3.38Å |
| 85 | G | 87.1 | Confident | 83.4 | Confident | 29 Ų | 29 | 76.8 Ų | 76.8 | 30% | 0.299 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.6 | -39.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L81 I82 A88 L89 | L81-G85 PolarHBondContact O-N 3.25Å; I82-G85 PolarHBondContact O-N 3.47Å; G85-A88 PolarHBondContact O-N 2.88Å; G85-L89 WeakPolarHBondContact O-CG 3.32Å; G85-L89 PolarHBondContact O-N 3.13Å |
| 86 | Q | 85.5 | Confident | 84.4 | Confident | 30 Ų | 30 | 71.8 Ų | 71.8 | 14% | 0.14 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.4 | -49.8 | 176.4 | -177.5 | 177.9 | -15.2 | 0 | 0 | 110.9 | I82 L83 E84 A88 L89 E90 | I82-Q86 WeakPolarHBondContact O-CB 3.42Å; I82-Q86 PolarHBondContact O-N 3.44Å; L83-Q86 PolarHBondContact O-N 2.86Å; E84-Q86 VanDerWaalsContact C-N 3.34Å; E84-Q86 PolarHBondContact O-N 3.05Å; Q86-A88 VanDerWaalsContact C-N 3.31Å; Q86-A88 PolarHBondContact O-N 3.36Å; Q86-L89 PolarHBondContact O-N 3.2Å; Q86-E90 PolarHBondContact NE2-OE1 3.25Å; Q86-E90 WeakPolarHBondContact O-CG 3.47Å; Q86-E90 PolarHBondContact O-N 3.02Å |
| 87 | L | 85.1 | Confident | 85.1 | Confident | 82 Ų | 82 | 70.2 Ų | 70.2 | 43% | 0.429 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.2 | -41.8 | 178.4 | -177.7 | 68.5 | 0 | 0 | 0 | 111.9 | L83 E84 L89 E90 C91 | L83-L87 PolarHBondContact O-N 2.87Å; L83-L87 VanDerWaalsContact O-N 3.07Å; E84-L87 PolarHBondContact O-N 3.27Å; L87-L89 VanDerWaalsContact C-N 3.34Å; L87-L89 PolarHBondContact O-N 3.44Å; L87-E90 PolarHBondContact O-N 3.39Å; L87-C91 WeakPolarHBondContact O-CB 3.26Å; L87-C91 PolarHBondContact O-N 2.89Å |
| 88 | A | 90 | Very high | 85.7 | Confident | 59 Ų | 59 | 64.3 Ų | 64.3 | 49% | 0.488 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.8 | -42.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | E84 G85 Q86 C91 L92 | E84-A88 WeakPolarHBondContact O-CB 3.47Å; E84-A88 PolarHBondContact O-N 3.38Å; G85-A88 PolarHBondContact O-N 2.88Å; Q86-A88 VanDerWaalsContact C-N 3.31Å; Q86-A88 PolarHBondContact O-N 3.36Å; A88-C91 PolarHBondContact O-N 3.49Å; A88-L92 WeakPolarHBondContact O-CB 3.23Å; A88-L92 PolarHBondContact O-N 2.9Å |
| 89 | L | 89.1 | Confident | 86.2 | Confident | 34 Ų | 34 | 65.3 Ų | 65.3 | 18% | 0.178 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -70.2 | -36.9 | 177.1 | -72.6 | 172.6 | 0 | 0 | 0 | 113 | L59 C62 L66 G85 Q86 L87 C91 L92 S93 | L59-L89 HydrophobicContact CD2-CD2 3.96Å; C62-L89 HydrophobicContact CB-CD1 4.18Å; L66-L89 HydrophobicContact CD1-CD1 3.06Å; L66-L89 HydrophobicContact CD1-CG 4.45Å; L66-L89 HydrophobicContact CG-CD1 4.48Å; G85-L89 WeakPolarHBondContact O-CG 3.32Å; G85-L89 PolarHBondContact O-N 3.13Å; Q86-L89 PolarHBondContact O-N 3.2Å; L87-L89 VanDerWaalsContact C-N 3.34Å; L87-L89 PolarHBondContact O-N 3.44Å; L89-C91 VanDerWaalsContact C-N 3.34Å; L89-L92 PolarHBondContact O-N 2.92Å; L89-S93 WeakPolarHBondContact O-CB 3.4Å; L89-S93 PolarHBondContact O-N 3.44Å; L89-S93 PolarHBondContact O-OG 3.25Å |
| 90 | E | 85.3 | Confident | 86.7 | Confident | 12 Ų | 12 | 60.4 Ų | 60.4 | 6% | 0.056 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.7 | -41.6 | 172.8 | -70.5 | -172 | 165.5 | 0 | 0 | 111.6 | R63 Q86 L87 S93 L94 H143 | R63-E90 IonicContact CZ-OE1 3.91Å; R63-E90 IonicContact NE-OE1 3.47Å; R63-E90 PolarHBondContact NE-OE1 3.19Å; R63-E90 VanDerWaalsContact NH2-CD 3.26Å; R63-E90 IonicContact NH2-OE1 3.93Å; R63-E90 PolarHBondContact NH2-OE1 3.04Å; Q86-E90 PolarHBondContact NE2-OE1 3.25Å; Q86-E90 WeakPolarHBondContact O-CG 3.47Å; Q86-E90 PolarHBondContact O-N 3.02Å; L87-E90 PolarHBondContact O-N 3.39Å; E90-S93 PolarHBondContact O-OG 3.04Å; E90-S93 VanDerWaalsContact O-OG 3.05Å; E90-L94 VanDerWaalsContact O-CB 3.26Å; E90-L94 WeakPolarHBondContact O-CB 3.39Å; E90-L94 PolarHBondContact O-N 3.09Å; E90-H143 IonicContact OE2-CG 2.8Å |
| 91 | C | 89.4 | Confident | 87.2 | Confident | 72 Ų | 72 | 52.7 Ų | 52.7 | 49% | 0.486 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65.3 | -42.9 | 175.7 | -171.3 | 0 | 0 | 0 | 0 | 111.5 | L87 A88 L89 L94 F95 | L87-C91 WeakPolarHBondContact O-CB 3.26Å; L87-C91 PolarHBondContact O-N 2.89Å; A88-C91 PolarHBondContact O-N 3.49Å; L89-C91 VanDerWaalsContact C-N 3.34Å; C91-L94 PolarHBondContact O-N 3Å; C91-F95 WeakPolarHBondContact O-CB 3.49Å; C91-F95 PolarHBondContact O-N 3.46Å |
| 92 | L | 90.8 | Very high | 87.4 | Confident | 64 Ų | 64 | 51 Ų | 51 | 34% | 0.335 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -68.4 | -40.6 | 179.7 | -173.2 | 59.1 | 0 | 0 | 0 | 112.1 | F55 L59 A88 L89 F95 I96 | F55-L92 HydrophobicContact CE1-CD2 4.29Å; F55-L92 HydrophobicContact CZ-CD2 4.31Å; L59-L92 HydrophobicContact CD1-CB 4.43Å; L59-L92 HydrophobicContact CD1-CD2 4.1Å; L59-L92 HydrophobicContact CD1-CG 3.73Å; L59-L92 HydrophobicContact CD2-CD2 3.52Å; L59-L92 HydrophobicContact CD2-CG 4.05Å; L59-L92 HydrophobicContact CG-CD2 4.46Å; A88-L92 WeakPolarHBondContact O-CB 3.23Å; A88-L92 PolarHBondContact O-N 2.9Å; L89-L92 PolarHBondContact O-N 2.92Å; L92-F95 WeakPolarHBondContact O-CB 3.42Å; L92-F95 PolarHBondContact O-N 3.37Å; L92-I96 WeakPolarHBondContact O-CG1 3.16Å; L92-I96 PolarHBondContact O-N 3.37Å |
| 93 | S | 88.4 | Confident | 87.6 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.007 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64 | -43.3 | 174.8 | 70.4 | 0 | 0 | 0 | 0 | 111.2 | L89 E90 F95 I96 L97 | L89-S93 WeakPolarHBondContact O-CB 3.4Å; L89-S93 PolarHBondContact O-N 3.44Å; L89-S93 PolarHBondContact O-OG 3.25Å; E90-S93 PolarHBondContact O-OG 3.04Å; E90-S93 VanDerWaalsContact O-OG 3.05Å; S93-F95 VanDerWaalsContact C-N 3.32Å; S93-F95 PolarHBondContact O-N 3.34Å; S93-I96 PolarHBondContact O-N 2.85Å; S93-L97 WeakPolarHBondContact O-CB 3.46Å; S93-L97 PolarHBondContact O-N 3.14Å |
| 94 | L | 88.1 | Confident | 87.8 | Confident | 39 Ų | 39 | 48.4 Ų | 48.4 | 20% | 0.204 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.7 | -41 | 175 | -176.3 | 150.9 | 0 | 0 | 0 | 111.6 | E90 C91 L97 S98 F133 I137 I140 | E90-L94 VanDerWaalsContact O-CB 3.26Å; E90-L94 WeakPolarHBondContact O-CB 3.39Å; E90-L94 PolarHBondContact O-N 3.09Å; C91-L94 PolarHBondContact O-N 3Å; L94-L97 PolarHBondContact O-N 3.33Å; L94-S98 WeakPolarHBondContact O-CB 3.23Å; L94-S98 PolarHBondContact O-N 3.44Å; L94-F133 HydrophobicContact CG-CE2 4.44Å; L94-I137 HydrophobicContact CD1-CG1 4.04Å; L94-I140 HydrophobicContact CD1-CD1 4.46Å; L94-I140 HydrophobicContact CD1-CG2 3.98Å |
| 95 | F | 91.3 | Very high | 87.8 | Confident | 114 Ų | 114 | 45.5 Ų | 45.5 | 50% | 0.5 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61 | -50 | 176.8 | 177.3 | -104.6 | 0 | 0 | 0 | 111.8 | C91 L92 S93 L97 S98 L99 | C91-F95 WeakPolarHBondContact O-CB 3.49Å; C91-F95 PolarHBondContact O-N 3.46Å; L92-F95 WeakPolarHBondContact O-CB 3.42Å; L92-F95 PolarHBondContact O-N 3.37Å; S93-F95 VanDerWaalsContact C-N 3.32Å; S93-F95 PolarHBondContact O-N 3.34Å; F95-L97 VanDerWaalsContact C-N 3.35Å; F95-L97 PolarHBondContact O-N 3.24Å; F95-S98 WeakPolarHBondContact O-CB 3.26Å; F95-S98 PolarHBondContact O-N 2.76Å; F95-S98 VanDerWaalsContact O-N 3.16Å; F95-L99 HydrophobicContact CD1-CD1 4.38Å; F95-L99 HydrophobicContact CE1-CD1 3.85Å; F95-L99 HydrophobicContact CE1-CG 4.38Å; F95-L99 HydrophobicContact CZ-CD1 4.2Å; F95-L99 HydrophobicContact CZ-CD2 4.34Å; F95-L99 HydrophobicContact CZ-CG 4.42Å; F95-L99 PolarHBondContact O-N 3.47Å |
| 96 | I | 89.4 | Confident | 87.7 | Confident | 12 Ų | 12 | 48.9 Ų | 48.9 | 6% | 0.062 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.9 | -41.7 | 178.8 | -62.4 | -64 | 0 | 0 | 0 | 111.2 | L52 F55 E56 L59 L92 S93 S98 L99 F100 | L52-I96 HydrophobicContact CD2-CD1 4.15Å; L52-I96 HydrophobicContact CD2-CG2 4.4Å; F55-I96 HydrophobicContact CD1-CD1 4.06Å; F55-I96 HydrophobicContact CD1-CG1 4.13Å; F55-I96 HydrophobicContact CE1-CD1 4.31Å; F55-I96 HydrophobicContact CE1-CG1 4.34Å; E56-I96 HydrophobicContact CB-CG2 3.93Å; E56-I96 HydrophobicContact CG-CG2 4.29Å; L59-I96 HydrophobicContact CD1-CG1 3.9Å; L92-I96 WeakPolarHBondContact O-CG1 3.16Å; L92-I96 PolarHBondContact O-N 3.37Å; S93-I96 PolarHBondContact O-N 2.85Å; I96-S98 VanDerWaalsContact C-N 3.33Å; I96-S98 PolarHBondContact O-N 3.45Å; I96-L99 HydrophobicContact CD1-CD1 4.35Å; I96-L99 WeakPolarHBondContact O-CB 3.44Å; I96-L99 PolarHBondContact O-N 3.31Å; I96-F100 HydrophobicContact CG2-CD2 4.23Å; I96-F100 HydrophobicContact CG2-CE2 3.8Å; I96-F100 VanDerWaalsContact O-CD2 3.3Å; I96-F100 WeakPolarHBondContact O-CD2 3.23Å; I96-F100 PolarHBondContact O-N 2.81Å |
| 97 | L | 87.8 | Confident | 87.5 | Confident | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.016 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.6 | -38.9 | 173.7 | -83.6 | 166.2 | 0 | 0 | 0 | 112.7 | E56 S93 L94 F95 L99 F100 V101 C132 F133 D136 | E56-L97 WeakPolarHBondContact OE1-CD2 3.23Å; S93-L97 WeakPolarHBondContact O-CB 3.46Å; S93-L97 PolarHBondContact O-N 3.14Å; L94-L97 PolarHBondContact O-N 3.33Å; F95-L97 VanDerWaalsContact C-N 3.35Å; F95-L97 PolarHBondContact O-N 3.24Å; L97-L99 VanDerWaalsContact C-N 3.29Å; L97-L99 PolarHBondContact O-N 2.95Å; L97-F100 WeakPolarHBondContact O-CB 3.18Å; L97-F100 PolarHBondContact O-N 3.33Å; L97-F100 VanDerWaalsContact O-N 3.1Å; L97-V101 WeakPolarHBondContact O-CG2 3.48Å; L97-V101 PolarHBondContact O-N 2.94Å; L97-C132 HydrophobicContact CD2-CB 4.11Å; L97-F133 HydrophobicContact CB-CD2 4.33Å; L97-D136 HydrophobicContact CD1-CB 4.31Å; L97-D136 WeakPolarHBondContact CD1-OD2 3.21Å |
| 98 | S | 88.8 | Confident | 87.4 | Confident | 40 Ų | 40 | 46.7 Ų | 46.7 | 28% | 0.28 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.2 | -38.7 | 175.9 | -159.6 | 0 | 0 | 0 | 0 | 111.4 | L94 F95 I96 F100 V101 V102 | L94-S98 WeakPolarHBondContact O-CB 3.23Å; L94-S98 PolarHBondContact O-N 3.44Å; F95-S98 WeakPolarHBondContact O-CB 3.26Å; F95-S98 PolarHBondContact O-N 2.76Å; F95-S98 VanDerWaalsContact O-N 3.16Å; I96-S98 VanDerWaalsContact C-N 3.33Å; I96-S98 PolarHBondContact O-N 3.45Å; S98-F100 VanDerWaalsContact C-N 3.3Å; S98-F100 PolarHBondContact O-N 3.33Å; S98-V101 PolarHBondContact O-N 2.82Å; S98-V102 WeakPolarHBondContact O-CG2 3.31Å; S98-V102 PolarHBondContact O-N 3.38Å |
| 99 | L | 88.8 | Confident | 87 | Confident | 75 Ų | 75 | 50.7 Ų | 50.7 | 39% | 0.393 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.3 | -40.9 | 172.4 | -63.9 | 178.9 | 0 | 0 | 0 | 111.7 | L52 F95 I96 L97 V102 E103 | L52-L99 HydrophobicContact CD2-CD1 3.89Å; F95-L99 HydrophobicContact CD1-CD1 4.38Å; F95-L99 HydrophobicContact CE1-CD1 3.85Å; F95-L99 HydrophobicContact CE1-CG 4.38Å; F95-L99 HydrophobicContact CZ-CD1 4.2Å; F95-L99 HydrophobicContact CZ-CD2 4.34Å; F95-L99 HydrophobicContact CZ-CG 4.42Å; F95-L99 PolarHBondContact O-N 3.47Å; I96-L99 HydrophobicContact CD1-CD1 4.35Å; I96-L99 WeakPolarHBondContact O-CB 3.44Å; I96-L99 PolarHBondContact O-N 3.31Å; L97-L99 VanDerWaalsContact C-N 3.29Å; L97-L99 PolarHBondContact O-N 2.95Å; L99-V102 PolarHBondContact O-N 3.44Å; L99-E103 VanDerWaalsContact O-CB 3.31Å; L99-E103 WeakPolarHBondContact O-CB 3.32Å; L99-E103 PolarHBondContact O-N 2.87Å |
| 100 | F | 87.1 | Confident | 86.4 | Confident | 15 Ų | 15 | 49.5 Ų | 49.5 | 7% | 0.066 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.3 | -40.8 | 174.4 | -73.6 | -60.6 | 0 | 0 | 0 | 113 | V49 L52 T53 E56 I96 L97 S98 V102 E103 I104 | V49-F100 HydrophobicContact CG1-CE1 4.35Å; L52-F100 HydrophobicContact CB-CE1 4.43Å; L52-F100 HydrophobicContact CB-CE2 4.42Å; L52-F100 HydrophobicContact CB-CZ 3.74Å; T53-F100 VanDerWaalsContact OG1-CZ 3.23Å; T53-F100 WeakPolarHBondContact OG1-CZ 3.49Å; E56-F100 HydrophobicContact CB-CE2 4.38Å; E56-F100 WeakPolarHBondContact OE2-CE2 3.33Å; I96-F100 HydrophobicContact CG2-CD2 4.23Å; I96-F100 HydrophobicContact CG2-CE2 3.8Å; I96-F100 VanDerWaalsContact O-CD2 3.3Å; I96-F100 WeakPolarHBondContact O-CD2 3.23Å; I96-F100 PolarHBondContact O-N 2.81Å; L97-F100 WeakPolarHBondContact O-CB 3.18Å; L97-F100 PolarHBondContact O-N 3.33Å; L97-F100 VanDerWaalsContact O-N 3.1Å; S98-F100 VanDerWaalsContact C-N 3.3Å; S98-F100 PolarHBondContact O-N 3.33Å; F100-V102 VanDerWaalsContact C-N 3.29Å; F100-V102 PolarHBondContact O-N 3.38Å; F100-E103 WeakPolarHBondContact O-CB 3.42Å; F100-E103 PolarHBondContact O-N 3.08Å; F100-I104 WeakPolarHBondContact O-CG1 3.45Å; F100-I104 PolarHBondContact O-N 3.41Å; F100-I104 VanDerWaalsContact O-N 3.14Å |
| 101 | V | 88.4 | Confident | 85.8 | Confident | 40 Ų | 40 | 51 Ų | 51 | 24% | 0.242 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.6 | -39.9 | 176.5 | 174.2 | 0 | 0 | 0 | 0 | 111.1 | L97 S98 P105 F133 | L97-V101 WeakPolarHBondContact O-CG2 3.48Å; L97-V101 PolarHBondContact O-N 2.94Å; S98-V101 PolarHBondContact O-N 2.82Å; V101-P105 WeakPolarHBondContact O-CD 3.45Å; V101-F133 HydrophobicContact CG2-CB 3.73Å; V101-F133 HydrophobicContact CG2-CD1 4.22Å; V101-F133 HydrophobicContact CG2-CD2 4.14Å; V101-F133 HydrophobicContact CG2-CG 3.78Å |
| 102 | V | 87.6 | Confident | 85 | Confident | 93 Ų | 93 | 48.3 Ų | 48.3 | 56% | 0.564 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -75.3 | -29.8 | 175.6 | 175 | 0 | 0 | 0 | 0 | 112.1 | S98 L99 F100 I104 P105 | S98-V102 WeakPolarHBondContact O-CG2 3.31Å; S98-V102 PolarHBondContact O-N 3.38Å; L99-V102 PolarHBondContact O-N 3.44Å; F100-V102 VanDerWaalsContact C-N 3.29Å; F100-V102 PolarHBondContact O-N 3.38Å; V102-I104 VanDerWaalsContact C-N 3.34Å; V102-I104 PolarHBondContact O-N 2.94Å; V102-P105 VanDerWaalsContact O-CD 3.23Å; V102-P105 WeakPolarHBondContact O-CD 2.9Å; V102-P105 VanDerWaalsContact O-CG 3.26Å; V102-P105 WeakPolarHBondContact O-CG 3.29Å |
| 103 | E | 86.8 | Confident | 84 | Confident | 35 Ų | 35 | 51 Ų | 51 | 16% | 0.164 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.3 | -40.2 | 175 | -171 | -169.5 | 149.2 | 0 | 0 | 111.6 | Y45 V49 L99 F100 F106 K107 | Y45-E103 WeakPolarHBondContact OH-CG 3.2Å; Y45-E103 PolarHBondContact OH-OE1 2.91Å; V49-E103 WeakPolarHBondContact CG2-OE1 3.34Å; L99-E103 VanDerWaalsContact O-CB 3.31Å; L99-E103 WeakPolarHBondContact O-CB 3.32Å; L99-E103 PolarHBondContact O-N 2.87Å; F100-E103 WeakPolarHBondContact O-CB 3.42Å; F100-E103 PolarHBondContact O-N 3.08Å; E103-F106 WeakPolarHBondContact O-CB 3.41Å; E103-F106 PolarHBondContact O-N 3.03Å; E103-K107 WeakPolarHBondContact O-CB 3.42Å; E103-K107 PolarHBondContact O-N 3.4Å |
| 104 | I | 85.1 | Confident | 83.1 | Confident | 35 Ų | 35 | 62.1 Ų | 62.1 | 18% | 0.179 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -55.5 | -57.2 | -178.2 | -66.4 | 156.6 | 0 | 0 | 0 | 113.1 | F100 V102 F106 K107 I108 G126 C129 | F100-I104 WeakPolarHBondContact O-CG1 3.45Å; F100-I104 PolarHBondContact O-N 3.41Å; F100-I104 VanDerWaalsContact O-N 3.14Å; V102-I104 VanDerWaalsContact C-N 3.34Å; V102-I104 PolarHBondContact O-N 2.94Å; I104-F106 VanDerWaalsContact C-N 3.26Å; I104-F106 PolarHBondContact O-N 2.92Å; I104-K107 WeakPolarHBondContact O-CB 3.44Å; I104-K107 PolarHBondContact O-N 2.87Å; I104-K107 VanDerWaalsContact O-N 3.14Å; I104-I108 HydrophobicContact CG2-CD1 3.8Å; I104-I108 HydrophobicContact CG2-CG1 4.44Å; I104-I108 VanDerWaalsContact O-CG1 3.31Å; I104-I108 WeakPolarHBondContact O-CG1 3.31Å; I104-I108 PolarHBondContact O-N 3Å; I104-G126 VanDerWaalsContact CD1-CA 3.48Å; I104-C129 HydrophobicContact CD1-CB 3.91Å |
| 105 | P | 85.2 | Confident | 82 | Confident | 72 Ų | 72 | 65.9 Ų | 65.9 | 47% | 0.468 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.8 | -34.9 | 178.9 | 24.6 | -33.3 | 0 | 0 | 0 | 111.7 | V101 V102 K107 I108 W109 | V101-P105 WeakPolarHBondContact O-CD 3.45Å; V102-P105 VanDerWaalsContact O-CD 3.23Å; V102-P105 WeakPolarHBondContact O-CD 2.9Å; V102-P105 VanDerWaalsContact O-CG 3.26Å; V102-P105 WeakPolarHBondContact O-CG 3.29Å; P105-K107 VanDerWaalsContact C-N 3.32Å; P105-K107 PolarHBondContact O-N 3.35Å; P105-I108 PolarHBondContact O-N 2.88Å; P105-W109 WeakPolarHBondContact O-CB 3.49Å; P105-W109 PolarHBondContact O-N 2.94Å |
| 106 | F | 84.7 | Confident | 80.7 | Confident | 99 Ų | 99 | 62.5 Ų | 62.5 | 43% | 0.434 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.4 | -39.2 | 175.6 | -166.9 | -116.1 | 0 | 0 | 0 | 112 | L36 F40 E103 I104 W109 A110 | L36-F106 HydrophobicContact CD1-CD1 4.41Å; L36-F106 HydrophobicContact CD1-CE1 3.37Å; L36-F106 HydrophobicContact CD1-CE2 4.39Å; L36-F106 HydrophobicContact CD1-CZ 3.35Å; L36-F106 HydrophobicContact CD2-CD2 4.42Å; L36-F106 HydrophobicContact CD2-CE1 3.97Å; L36-F106 HydrophobicContact CD2-CE2 3.83Å; L36-F106 HydrophobicContact CD2-CZ 3.58Å; L36-F106 HydrophobicContact CG-CE1 4.29Å; L36-F106 HydrophobicContact CG-CZ 4.12Å; F40-F106 HydrophobicContact CE2-CD1 4.09Å; F40-F106 HydrophobicContact CE2-CE1 4.09Å; F40-F106 AromaticContact CZ-CD1 3.89Å; F40-F106 HydrophobicContact CZ-CD1 3.89Å; F40-F106 HydrophobicContact CZ-CE1 4.27Å; E103-F106 WeakPolarHBondContact O-CB 3.41Å; E103-F106 PolarHBondContact O-N 3.03Å; I104-F106 VanDerWaalsContact C-N 3.26Å; I104-F106 PolarHBondContact O-N 2.92Å; F106-W109 PolarHBondContact O-N 3.14Å; F106-A110 WeakPolarHBondContact O-CB 3.43Å; F106-A110 PolarHBondContact O-N 2.84Å |
| 107 | K | 80.2 | Confident | 79.3 | Confident | 27 Ų | 27 | 63.7 Ų | 63.7 | 12% | 0.117 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -69.9 | -41.4 | 176 | -160.4 | 176.6 | -174.2 | 167.6 | 0 | 112.2 | F40 E103 I104 P105 W109 A110 M111 | F40-K107 HydrophobicContact CE1-CB 4.4Å; F40-K107 HydrophobicContact CE1-CG 3.99Å; F40-K107 HydrophobicContact CZ-CB 4.25Å; F40-K107 HydrophobicContact CZ-CG 4.27Å; E103-K107 WeakPolarHBondContact O-CB 3.42Å; E103-K107 PolarHBondContact O-N 3.4Å; I104-K107 WeakPolarHBondContact O-CB 3.44Å; I104-K107 PolarHBondContact O-N 2.87Å; I104-K107 VanDerWaalsContact O-N 3.14Å; P105-K107 VanDerWaalsContact C-N 3.32Å; P105-K107 PolarHBondContact O-N 3.35Å; K107-W109 VanDerWaalsContact C-N 3.31Å; K107-W109 PolarHBondContact O-N 3.06Å; K107-A110 PolarHBondContact O-N 3.18Å; K107-M111 HydrophobicContact CD-CE 4.43Å; K107-M111 HydrophobicContact CG-CE 3.76Å; K107-M111 HydrophobicContact CG-SD 4.31Å; K107-M111 WeakPolarHBondContact O-CG 3.37Å; K107-M111 PolarHBondContact O-N 3.49Å |
| 108 | I | 82.9 | Confident | 78.5 | Confident | 40 Ų | 40 | 71.7 Ų | 71.7 | 21% | 0.205 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59.7 | -45 | 173.3 | -66.7 | 167.5 | 0 | 0 | 0 | 109.9 | I104 P105 G112 I113 W116 | I104-I108 HydrophobicContact CG2-CD1 3.8Å; I104-I108 HydrophobicContact CG2-CG1 4.44Å; I104-I108 VanDerWaalsContact O-CG1 3.31Å; I104-I108 WeakPolarHBondContact O-CG1 3.31Å; I104-I108 PolarHBondContact O-N 3Å; P105-I108 PolarHBondContact O-N 2.88Å; I108-G112 WeakPolarHBondContact O-CA 3.13Å; I108-G112 PolarHBondContact O-N 2.91Å; I108-I113 HydrophobicContact CG2-CD1 4.03Å; I108-W116 HydrophobicContact CD1-CD2 4.29Å; I108-W116 HydrophobicContact CD1-CE3 4.45Å; I108-W116 HydrophobicContact CD1-CH2 3.73Å; I108-W116 HydrophobicContact CD1-CZ2 3.56Å; I108-W116 HydrophobicContact CD1-CZ3 4.18Å; I108-W116 HydrophobicContact CG1-CD2 3.86Å; I108-W116 HydrophobicContact CG1-CE3 4.37Å; I108-W116 HydrophobicContact CG1-CG 4.2Å; I108-W116 HydrophobicContact CG1-CH2 4.36Å; I108-W116 HydrophobicContact CG1-CZ2 3.89Å |
| 109 | W | 81.9 | Confident | 77.8 | Confident | 142 Ų | 142 | 72.8 Ų | 72.8 | 54% | 0.538 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 178.4 | -173.6 | 76 | 0 | 0 | 0 | 112.2 | A32 L36 P105 F106 K107 | A32-W109 HydrophobicContact CB-CH2 4.1Å; L36-W109 HydrophobicContact CD2-CE3 3.43Å; L36-W109 VanDerWaalsContact CD2-CE3 3.43Å; L36-W109 HydrophobicContact CD2-CZ3 3.43Å; L36-W109 VanDerWaalsContact CD2-CZ3 3.43Å; P105-W109 WeakPolarHBondContact O-CB 3.49Å; P105-W109 PolarHBondContact O-N 2.94Å; F106-W109 PolarHBondContact O-N 3.14Å; K107-W109 VanDerWaalsContact C-N 3.31Å; K107-W109 PolarHBondContact O-N 3.06Å |
| 110 | A | 76.3 | Confident | 77.2 | Confident | 9 Ų | 9 | 74.9 Ų | 74.9 | 7% | 0.074 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -67.1 | -51.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L36 F40 F106 K107 G112 | L36-A110 HydrophobicContact CD2-CB 3.54Å; L36-A110 HydrophobicContact CG-CB 3.82Å; F40-A110 HydrophobicContact CD2-CB 3.67Å; F40-A110 HydrophobicContact CE2-CB 3.28Å; F40-A110 HydrophobicContact CZ-CB 4.1Å; F106-A110 WeakPolarHBondContact O-CB 3.43Å; F106-A110 PolarHBondContact O-N 2.84Å; K107-A110 PolarHBondContact O-N 3.18Å; A110-G112 VanDerWaalsContact C-N 3.32Å |
| 111 | M | 72.3 | Confident | 76.7 | Confident | 44 Ų | 44 | 75.8 Ų | 75.8 | 22% | 0.217 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -72.9 | -30.4 | -177.5 | -62.4 | -172.9 | -56.4 | 0 | 0 | 111.2 | R33 K107 F122 | R33-M111 PolarHBondContact NH2-O 3.46Å; K107-M111 HydrophobicContact CD-CE 4.43Å; K107-M111 HydrophobicContact CG-CE 3.76Å; K107-M111 HydrophobicContact CG-SD 4.31Å; K107-M111 WeakPolarHBondContact O-CG 3.37Å; K107-M111 PolarHBondContact O-N 3.49Å; M111-F122 HydrophobicContact CE-CD2 4.46Å |
| 112 | G | 72.7 | Confident | 76.3 | Confident | 16 Ų | 16 | 75 Ų | 75 | 17% | 0.165 | 37% | 0.368 | C | S | . | . | trans | 85.5 | 138.5 | -171.9 | 0 | 0 | 0 | 0 | 0 | 111 | I108 A110 R114 Q115 W116 | I108-G112 WeakPolarHBondContact O-CA 3.13Å; I108-G112 PolarHBondContact O-N 2.91Å; A110-G112 VanDerWaalsContact C-N 3.32Å; G112-R114 PolarHBondContact O-N 3.42Å; G112-R114 VanDerWaalsContact O-N 3.08Å; G112-Q115 PolarHBondContact O-N 3.4Å; G112-Q115 VanDerWaalsContact O-N 3.16Å; G112-W116 PolarHBondContact O-N 3.2Å | ||
| 113 | I | 69.3 | Low | 76.1 | Confident | 119 Ų | 119 | 73.4 Ų | 73.4 | 61% | 0.61 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -52.6 | -35.6 | -173.1 | -167.9 | 67.3 | 0 | 0 | 0 | 113.9 | I108 Q115 W116 G117 | I108-I113 HydrophobicContact CG2-CD1 4.03Å; I113-Q115 PolarHBondContact O-N 2.55Å; I113-W116 HydrophobicContact CD1-CE3 3.78Å; I113-W116 HydrophobicContact CD1-CZ3 4.17Å; I113-W116 PolarHBondContact O-N 3.14Å; I113-G117 PolarHBondContact O-N 2.96Å |
| 114 | R | 69.6 | Low | 76 | Confident | 236 Ų | 236 | 75.4 Ų | 75.4 | 89% | 0.891 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -66.4 | -38.7 | -177.1 | -174.2 | 175.5 | 173.7 | 177.2 | -1.2 | 113.3 | G112 | G112-R114 PolarHBondContact O-N 3.42Å; G112-R114 VanDerWaalsContact O-N 3.08Å |
| 115 | Q | 66.3 | Low | 75.9 | Confident | 117 Ų | 117 | 74.8 Ų | 74.8 | 55% | 0.547 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -81.1 | -28.4 | 179.1 | -169.8 | 171.4 | -10.3 | 0 | 0 | 111.4 | G112 I113 H118 | G112-Q115 PolarHBondContact O-N 3.4Å; G112-Q115 VanDerWaalsContact O-N 3.16Å; I113-Q115 PolarHBondContact O-N 2.55Å; Q115-H118 PolarHBondContact O-N 2.89Å |
| 116 | W | 62.7 | Low | 75.9 | Confident | 43 Ų | 43 | 71.8 Ų | 71.8 | 16% | 0.163 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.9 | -43.6 | 176.9 | -173.3 | 65.5 | 0 | 0 | 0 | 112.3 | I108 G112 I113 H118 Q119 I123 | I108-W116 HydrophobicContact CD1-CD2 4.29Å; I108-W116 HydrophobicContact CD1-CE3 4.45Å; I108-W116 HydrophobicContact CD1-CH2 3.73Å; I108-W116 HydrophobicContact CD1-CZ2 3.56Å; I108-W116 HydrophobicContact CD1-CZ3 4.18Å; I108-W116 HydrophobicContact CG1-CD2 3.86Å; I108-W116 HydrophobicContact CG1-CE3 4.37Å; I108-W116 HydrophobicContact CG1-CG 4.2Å; I108-W116 HydrophobicContact CG1-CH2 4.36Å; I108-W116 HydrophobicContact CG1-CZ2 3.89Å; G112-W116 PolarHBondContact O-N 3.2Å; I113-W116 HydrophobicContact CD1-CE3 3.78Å; I113-W116 HydrophobicContact CD1-CZ3 4.17Å; I113-W116 PolarHBondContact O-N 3.14Å; W116-H118 VanDerWaalsContact C-N 3.26Å; W116-H118 PolarHBondContact O-N 2.71Å; W116-Q119 CarbonylContact O-C 3.59Å; W116-Q119 WeakPolarHBondContact O-CA 3.42Å; W116-Q119 PolarHBondContact O-N 2.79Å; W116-I123 HydrophobicContact CD2-CG1 4.03Å; W116-I123 HydrophobicContact CE3-CD1 4.34Å; W116-I123 HydrophobicContact CE3-CG1 4.01Å; W116-I123 HydrophobicContact CH2-CB 4.29Å; W116-I123 HydrophobicContact CH2-CD1 4.49Å; W116-I123 HydrophobicContact CH2-CG1 3.63Å; W116-I123 HydrophobicContact CH2-CG2 4.33Å; W116-I123 HydrophobicContact CZ2-CB 4.17Å; W116-I123 HydrophobicContact CZ2-CG1 3.58Å; W116-I123 HydrophobicContact CZ3-CD1 4.25Å; W116-I123 HydrophobicContact CZ3-CG1 3.83Å |
| 117 | G | 60.8 | Low | 76 | Confident | 38 Ų | 38 | 72.4 Ų | 72.4 | 39% | 0.392 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.7 | -32.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | I113 Q119 | I113-G117 PolarHBondContact O-N 2.96Å; G117-Q119 PolarHBondContact O-N 2.87Å |
| 118 | H | 70 | Confident | 76.2 | Confident | 170 Ų | 170 | 72.5 Ų | 72.5 | 79% | 0.787 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -16.8 | 176.3 | -164.4 | -70.5 | 0 | 0 | 0 | 112.5 | Q115 W116 | Q115-H118 PolarHBondContact O-N 2.89Å; W116-H118 VanDerWaalsContact C-N 3.26Å; W116-H118 PolarHBondContact O-N 2.71Å |
| 119 | Q | 74.7 | Confident | 76.3 | Confident | 64 Ų | 64 | 70.8 Ų | 70.8 | 30% | 0.299 | 35% | 0.346 | S | S | . | . | trans | -112.7 | 68.1 | -177.2 | -64.8 | 175.3 | -22 | 0 | 0 | 109.8 | W116 G117 L121 F122 | W116-Q119 CarbonylContact O-C 3.59Å; W116-Q119 WeakPolarHBondContact O-CA 3.42Å; W116-Q119 PolarHBondContact O-N 2.79Å; G117-Q119 PolarHBondContact O-N 2.87Å; Q119-L121 PolarHBondContact O-N 3.14Å; Q119-F122 HydrophobicContact CB-CD2 3.52Å; Q119-F122 HydrophobicContact CB-CE2 3.91Å; Q119-F122 HydrophobicContact CG-CD2 4.42Å; Q119-F122 HydrophobicContact CG-CE2 4.37Å; Q119-F122 PolarHBondContact O-N 3.42Å | ||
| 120 | L | 76.4 | Confident | 76.5 | Confident | 118 Ų | 118 | 67 Ų | 67 | 62% | 0.618 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -43.5 | -32.1 | -179.6 | -68.5 | 174.2 | 0 | 0 | 0 | 114.8 | F122 I123 I124 | L120-F122 VanDerWaalsContact C-N 3.26Å; L120-F122 PolarHBondContact O-N 3.31Å; L120-I123 HydrophobicContact CD2-CD1 4.3Å; L120-I123 WeakPolarHBondContact O-CB 3.35Å; L120-I123 PolarHBondContact O-N 3.28Å; L120-I123 VanDerWaalsContact O-N 3.08Å; L120-I124 WeakPolarHBondContact O-CG1 3.37Å; L120-I124 PolarHBondContact O-N 2.99Å; L120-I124 VanDerWaalsContact O-N 3.09Å |
| 121 | L | 77.4 | Confident | 77.1 | Confident | 34 Ų | 34 | 70.1 Ų | 70.1 | 18% | 0.178 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -58.8 | -33.9 | 177.9 | -64.4 | -179.1 | 0 | 0 | 0 | 113.8 | Q119 I123 D125 R192 K196 | Q119-L121 PolarHBondContact O-N 3.14Å; L121-I123 VanDerWaalsContact C-N 3.31Å; L121-D125 VanDerWaalsContact O-CB 3.25Å; L121-D125 WeakPolarHBondContact O-CB 3.12Å; L121-D125 PolarHBondContact O-N 3.48Å; L121-R192 HydrophobicContact CD1-CG 4.32Å; L121-K196 HydrophobicContact CD1-CD 3.98Å |
| 122 | F | 79.9 | Confident | 77.6 | Confident | 25 Ų | 25 | 68.6 Ų | 68.6 | 11% | 0.11 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -73 | -27.7 | 177.8 | -69.2 | -62.5 | 0 | 0 | 0 | 112.5 | M111 Q119 L120 G126 Y189 F193 | M111-F122 HydrophobicContact CE-CD2 4.46Å; Q119-F122 HydrophobicContact CB-CD2 3.52Å; Q119-F122 HydrophobicContact CB-CE2 3.91Å; Q119-F122 HydrophobicContact CG-CD2 4.42Å; Q119-F122 HydrophobicContact CG-CE2 4.37Å; Q119-F122 PolarHBondContact O-N 3.42Å; L120-F122 VanDerWaalsContact C-N 3.26Å; L120-F122 PolarHBondContact O-N 3.31Å; F122-G126 PolarHBondContact O-N 2.94Å; F122-G126 VanDerWaalsContact O-N 3.08Å; F122-Y189 WeakPolarHBondContact CD1-OH 3.37Å; F122-F193 HydrophobicContact CE1-CD2 4.09Å; F122-F193 AromaticContact CE1-CE2 3.96Å; F122-F193 HydrophobicContact CE1-CE2 3.96Å; F122-F193 HydrophobicContact CZ-CD2 4.12Å; F122-F193 AromaticContact CZ-CE2 3.76Å; F122-F193 HydrophobicContact CZ-CE2 3.76Å |
| 123 | I | 83 | Confident | 78.3 | Confident | 59 Ų | 59 | 70 Ų | 70 | 30% | 0.303 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -70.8 | -48.5 | 175.5 | -58.8 | 173.2 | 0 | 0 | 0 | 109.1 | W116 L120 L121 D125 G126 L127 | W116-I123 HydrophobicContact CD2-CG1 4.03Å; W116-I123 HydrophobicContact CE3-CD1 4.34Å; W116-I123 HydrophobicContact CE3-CG1 4.01Å; W116-I123 HydrophobicContact CH2-CB 4.29Å; W116-I123 HydrophobicContact CH2-CD1 4.49Å; W116-I123 HydrophobicContact CH2-CG1 3.63Å; W116-I123 HydrophobicContact CH2-CG2 4.33Å; W116-I123 HydrophobicContact CZ2-CB 4.17Å; W116-I123 HydrophobicContact CZ2-CG1 3.58Å; W116-I123 HydrophobicContact CZ3-CD1 4.25Å; W116-I123 HydrophobicContact CZ3-CG1 3.83Å; L120-I123 HydrophobicContact CD2-CD1 4.3Å; L120-I123 WeakPolarHBondContact O-CB 3.35Å; L120-I123 PolarHBondContact O-N 3.28Å; L120-I123 VanDerWaalsContact O-N 3.08Å; L121-I123 VanDerWaalsContact C-N 3.31Å; I123-D125 PolarHBondContact O-N 3.27Å; I123-G126 PolarHBondContact O-N 3.47Å; I123-L127 WeakPolarHBondContact O-CB 3.32Å; I123-L127 PolarHBondContact O-N 3.5Å |
| 124 | I | 84.3 | Confident | 79.2 | Confident | 77 Ų | 77 | 67.6 Ų | 67.6 | 40% | 0.395 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.4 | -45.2 | -179.9 | -60.3 | 170.5 | 0 | 0 | 0 | 110.5 | L120 G126 L127 I128 Y185 | L120-I124 WeakPolarHBondContact O-CG1 3.37Å; L120-I124 PolarHBondContact O-N 2.99Å; L120-I124 VanDerWaalsContact O-N 3.09Å; I124-G126 VanDerWaalsContact C-N 3.34Å; I124-G126 PolarHBondContact O-N 3.08Å; I124-L127 PolarHBondContact O-N 3Å; I124-I128 HydrophobicContact CG2-CD1 3.64Å; I124-I128 HydrophobicContact CG2-CG1 4.46Å; I124-I128 WeakPolarHBondContact O-CB 3.39Å; I124-I128 WeakPolarHBondContact O-CD1 3.13Å; I124-I128 VanDerWaalsContact O-CG1 3.29Å; I124-I128 WeakPolarHBondContact O-CG1 3.19Å; I124-I128 PolarHBondContact O-N 2.88Å; I124-Y185 VanDerWaalsContact CG2-OH 3.26Å; I124-Y185 WeakPolarHBondContact CG2-OH 3.43Å |
| 125 | D | 82.9 | Confident | 79.8 | Confident | 21 Ų | 21 | 59 Ų | 59 | 11% | 0.112 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.2 | -44.5 | 175.7 | -180 | 50 | 0 | 0 | 0 | 111.9 | L121 I123 L127 I128 C129 Y189 | L121-D125 VanDerWaalsContact O-CB 3.25Å; L121-D125 WeakPolarHBondContact O-CB 3.12Å; L121-D125 PolarHBondContact O-N 3.48Å; I123-D125 PolarHBondContact O-N 3.27Å; D125-L127 PolarHBondContact O-N 3.27Å; D125-I128 PolarHBondContact O-N 2.89Å; D125-C129 WeakPolarHBondContact O-CB 3.42Å; D125-C129 PolarHBondContact O-N 3.09Å; D125-C129 PolarHBondContact O-SG 3.48Å; D125-Y189 HydrophobicContact CB-CD2 4.23Å; D125-Y189 HydrophobicContact CB-CE1 4.25Å; D125-Y189 HydrophobicContact CB-CE2 3.74Å; D125-Y189 WeakPolarHBondContact OD1-CE1 3.4Å; D125-Y189 WeakPolarHBondContact OD2-CE1 3.18Å; D125-Y189 PolarHBondContact OD2-OH 2.8Å |
| 126 | G | 84.8 | Confident | 80.7 | Confident | 10 Ų | 10 | 53.8 Ų | 53.8 | 10% | 0.103 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.5 | -39.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | I104 F122 I123 I124 C129 S130 | I104-G126 VanDerWaalsContact CD1-CA 3.48Å; F122-G126 PolarHBondContact O-N 2.94Å; F122-G126 VanDerWaalsContact O-N 3.08Å; I123-G126 PolarHBondContact O-N 3.47Å; I124-G126 VanDerWaalsContact C-N 3.34Å; I124-G126 PolarHBondContact O-N 3.08Å; G126-C129 PolarHBondContact O-N 3.46Å; G126-S130 WeakPolarHBondContact O-CB 3.25Å; G126-S130 PolarHBondContact O-N 3.27Å |
| 127 | L | 86.8 | Confident | 81.8 | Confident | 111 Ų | 111 | 55.1 Ų | 55.1 | 58% | 0.581 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -63.1 | -44 | 175.2 | -177.6 | 130.6 | 0 | 0 | 0 | 111.2 | I123 I124 D125 S130 V131 | I123-L127 WeakPolarHBondContact O-CB 3.32Å; I123-L127 PolarHBondContact O-N 3.5Å; I124-L127 PolarHBondContact O-N 3Å; D125-L127 PolarHBondContact O-N 3.27Å; L127-S130 WeakPolarHBondContact O-CB 3.34Å; L127-S130 PolarHBondContact O-N 3.42Å; L127-V131 WeakPolarHBondContact O-CG2 3.26Å; L127-V131 PolarHBondContact O-N 3.13Å |
| 128 | I | 85.1 | Confident | 83 | Confident | 29 Ų | 29 | 59.6 Ų | 59.6 | 15% | 0.149 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.7 | -44.9 | 178.9 | -73 | 166.6 | 0 | 0 | 0 | 110.8 | I124 D125 S130 V131 C132 M182 Y185 | I124-I128 HydrophobicContact CG2-CD1 3.64Å; I124-I128 HydrophobicContact CG2-CG1 4.46Å; I124-I128 WeakPolarHBondContact O-CB 3.39Å; I124-I128 WeakPolarHBondContact O-CD1 3.13Å; I124-I128 VanDerWaalsContact O-CG1 3.29Å; I124-I128 WeakPolarHBondContact O-CG1 3.19Å; I124-I128 PolarHBondContact O-N 2.88Å; D125-I128 PolarHBondContact O-N 2.89Å; I128-S130 VanDerWaalsContact C-N 3.27Å; I128-S130 PolarHBondContact O-N 2.82Å; I128-V131 PolarHBondContact O-N 3.37Å; I128-V131 VanDerWaalsContact O-N 3.17Å; I128-C132 PolarHBondContact O-N 3.48Å; I128-C132 PolarHBondContact O-SG 2.91Å; I128-M182 HydrophobicContact CG2-CE 3.38Å; I128-M182 HydrophobicContact CG2-SD 3.85Å; I128-Y185 HydrophobicContact CB-CE1 4.27Å; I128-Y185 HydrophobicContact CD1-CD1 3.75Å; I128-Y185 HydrophobicContact CD1-CD2 4.24Å; I128-Y185 HydrophobicContact CD1-CE1 3.12Å; I128-Y185 HydrophobicContact CD1-CE2 3.64Å; I128-Y185 HydrophobicContact CD1-CG 4.29Å; I128-Y185 VanDerWaalsContact CD1-OH 3.24Å; I128-Y185 WeakPolarHBondContact CD1-OH 3.43Å; I128-Y185 HydrophobicContact CG1-CE1 4.26Å; I128-Y185 HydrophobicContact CG2-CD1 3.87Å; I128-Y185 HydrophobicContact CG2-CE1 4Å |
| 129 | C | 84.8 | Confident | 83.4 | Confident | 5 Ų | 5 | 52.2 Ų | 52.2 | 3% | 0.034 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.3 | -40.3 | 173.2 | -71.1 | 0 | 0 | 0 | 0 | 112.4 | I104 D125 G126 C132 F133 | I104-C129 HydrophobicContact CD1-CB 3.91Å; D125-C129 WeakPolarHBondContact O-CB 3.42Å; D125-C129 PolarHBondContact O-N 3.09Å; D125-C129 PolarHBondContact O-SG 3.48Å; G126-C129 PolarHBondContact O-N 3.46Å; C129-C132 PolarHBondContact O-N 2.9Å; C129-F133 WeakPolarHBondContact O-CB 3.29Å; C129-F133 PolarHBondContact O-N 2.99Å |
| 130 | S | 86.9 | Confident | 83.8 | Confident | 62 Ų | 62 | 51.5 Ų | 51.5 | 43% | 0.434 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.1 | -42.2 | 176.2 | -172.3 | 0 | 0 | 0 | 0 | 112.1 | G126 L127 I128 F133 S134 | G126-S130 WeakPolarHBondContact O-CB 3.25Å; G126-S130 PolarHBondContact O-N 3.27Å; L127-S130 WeakPolarHBondContact O-CB 3.34Å; L127-S130 PolarHBondContact O-N 3.42Å; I128-S130 VanDerWaalsContact C-N 3.27Å; I128-S130 PolarHBondContact O-N 2.82Å; S130-F133 PolarHBondContact O-N 3.16Å; S130-S134 PolarHBondContact O-N 3.46Å; S130-S134 PolarHBondContact O-OG 3.1Å; S130-S134 VanDerWaalsContact O-OG 3.07Å |
| 131 | V | 87.3 | Confident | 84.1 | Confident | 74 Ų | 74 | 52.8 Ų | 52.8 | 45% | 0.448 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.2 | -41.7 | 176.8 | 173 | 0 | 0 | 0 | 0 | 110.7 | L127 I128 F133 S134 L135 | L127-V131 WeakPolarHBondContact O-CG2 3.26Å; L127-V131 PolarHBondContact O-N 3.13Å; I128-V131 PolarHBondContact O-N 3.37Å; I128-V131 VanDerWaalsContact O-N 3.17Å; V131-F133 PolarHBondContact O-N 2.84Å; V131-S134 PolarHBondContact O-N 3.04Å; V131-L135 HydrophobicContact CG1-CD1 4.19Å; V131-L135 WeakPolarHBondContact O-CG 3.44Å; V131-L135 PolarHBondContact O-N 3.23Å |
| 132 | C | 83.1 | Confident | 84.2 | Confident | 12 Ų | 12 | 56.1 Ų | 56.1 | 8% | 0.081 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.3 | -46.4 | 174.8 | -58.6 | 0 | 0 | 0 | 0 | 112.4 | L97 I128 C129 S134 L135 D136 M182 R186 | L97-C132 HydrophobicContact CD2-CB 4.11Å; I128-C132 PolarHBondContact O-N 3.48Å; I128-C132 PolarHBondContact O-SG 2.91Å; C129-C132 PolarHBondContact O-N 2.9Å; C132-S134 VanDerWaalsContact C-N 3.27Å; C132-S134 PolarHBondContact O-N 3.22Å; C132-L135 PolarHBondContact O-N 3.43Å; C132-L135 VanDerWaalsContact O-N 3.15Å; C132-D136 PolarHBondContact O-N 2.84Å; C132-M182 WeakPolarHBondContact SG-CE 3.5Å; C132-M182 PolarHBondContact SG-SD 3.44Å; C132-R186 PolarHBondContact SG-NH2 2.9Å; C132-R186 VanDerWaalsContact SG-NH2 3.45Å |
| 133 | F | 87.2 | Confident | 83.8 | Confident | 47 Ų | 47 | 57.1 Ų | 57.1 | 21% | 0.206 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.5 | -42 | 179.9 | -177.9 | -110.5 | 0 | 0 | 0 | 110.9 | L94 L97 V101 C129 S130 V131 D136 I137 | L94-F133 HydrophobicContact CG-CE2 4.44Å; L97-F133 HydrophobicContact CB-CD2 4.33Å; V101-F133 HydrophobicContact CG2-CB 3.73Å; V101-F133 HydrophobicContact CG2-CD1 4.22Å; V101-F133 HydrophobicContact CG2-CD2 4.14Å; V101-F133 HydrophobicContact CG2-CG 3.78Å; C129-F133 WeakPolarHBondContact O-CB 3.29Å; C129-F133 PolarHBondContact O-N 2.99Å; S130-F133 PolarHBondContact O-N 3.16Å; V131-F133 PolarHBondContact O-N 2.84Å; F133-D136 PolarHBondContact O-N 3.46Å; F133-I137 HydrophobicContact CD1-CD1 3.59Å; F133-I137 HydrophobicContact CD2-CD1 4.36Å; F133-I137 HydrophobicContact CE1-CD1 3.21Å; F133-I137 HydrophobicContact CE1-CG1 4.38Å; F133-I137 HydrophobicContact CE2-CD1 4.03Å; F133-I137 HydrophobicContact CE2-CG1 4.45Å; F133-I137 HydrophobicContact CG-CD1 4.17Å; F133-I137 HydrophobicContact CZ-CD1 3.46Å; F133-I137 VanDerWaalsContact CZ-CD1 3.46Å; F133-I137 HydrophobicContact CZ-CG1 4.3Å; F133-I137 WeakPolarHBondContact O-CB 3.25Å; F133-I137 VanDerWaalsContact O-CG1 3.27Å; F133-I137 WeakPolarHBondContact O-CG1 3.46Å; F133-I137 PolarHBondContact O-N 2.83Å |
| 134 | S | 88.7 | Confident | 83.6 | Confident | 68 Ų | 68 | 58.8 Ų | 58.8 | 48% | 0.476 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.3 | -43 | 173.3 | -61.3 | 0 | 0 | 0 | 0 | 112.8 | S130 V131 C132 I137 Y138 | S130-S134 PolarHBondContact O-N 3.46Å; S130-S134 PolarHBondContact O-OG 3.1Å; S130-S134 VanDerWaalsContact O-OG 3.07Å; V131-S134 PolarHBondContact O-N 3.04Å; C132-S134 VanDerWaalsContact C-N 3.27Å; C132-S134 PolarHBondContact O-N 3.22Å; S134-I137 PolarHBondContact O-N 3.4Å; S134-Y138 WeakPolarHBondContact O-CB 3.38Å; S134-Y138 PolarHBondContact O-N 3.43Å |
| 135 | L | 83.8 | Confident | 83.1 | Confident | 56 Ų | 56 | 59 Ų | 59 | 29% | 0.293 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.1 | -40.9 | 177.4 | -75.4 | 172.8 | 0 | 0 | 0 | 111.9 | V131 C132 Y138 N139 I178 | V131-L135 HydrophobicContact CG1-CD1 4.19Å; V131-L135 WeakPolarHBondContact O-CG 3.44Å; V131-L135 PolarHBondContact O-N 3.23Å; C132-L135 PolarHBondContact O-N 3.43Å; C132-L135 VanDerWaalsContact O-N 3.15Å; L135-Y138 WeakPolarHBondContact O-CB 3.32Å; L135-Y138 PolarHBondContact O-N 3.4Å; L135-N139 WeakPolarHBondContact O-CB 3.43Å; L135-N139 PolarHBondContact O-N 2.95Å; L135-N139 PolarHBondContact O-ND2 2.97Å; L135-I178 HydrophobicContact CD1-CG2 4.16Å |
| 136 | D | 83.5 | Confident | 82 | Confident | 6 Ų | 6 | 64.2 Ų | 64.2 | 3% | 0.032 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -69.7 | -38.5 | 177.7 | -90 | -13.2 | 0 | 0 | 0 | 112.6 | R63 L97 C132 F133 Y138 N139 I140 F179 | R63-D136 IonicContact CZ-OD1 3.55Å; R63-D136 IonicContact NH1-OD1 2.84Å; R63-D136 PolarHBondContact NH1-OD1 3.35Å; L97-D136 HydrophobicContact CD1-CB 4.31Å; L97-D136 WeakPolarHBondContact CD1-OD2 3.21Å; C132-D136 PolarHBondContact O-N 2.84Å; F133-D136 PolarHBondContact O-N 3.46Å; D136-Y138 VanDerWaalsContact C-N 3.31Å; D136-Y138 PolarHBondContact O-N 2.95Å; D136-N139 PolarHBondContact O-N 3.3Å; D136-I140 WeakPolarHBondContact O-CG2 3.3Å; D136-I140 PolarHBondContact O-N 3.15Å; D136-F179 WeakPolarHBondContact OD1-CE1 3.45Å; D136-F179 WeakPolarHBondContact OD1-CZ 3.38Å |
| 137 | I | 87 | Confident | 80.2 | Confident | 71 Ų | 71 | 68.4 Ų | 68.4 | 36% | 0.364 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.6 | -42.9 | 169.7 | -71.4 | 168.2 | 0 | 0 | 0 | 110.9 | L94 F133 S134 N139 I140 Y141 | L94-I137 HydrophobicContact CD1-CG1 4.04Å; F133-I137 HydrophobicContact CD1-CD1 3.59Å; F133-I137 HydrophobicContact CD2-CD1 4.36Å; F133-I137 HydrophobicContact CE1-CD1 3.21Å; F133-I137 HydrophobicContact CE1-CG1 4.38Å; F133-I137 HydrophobicContact CE2-CD1 4.03Å; F133-I137 HydrophobicContact CE2-CG1 4.45Å; F133-I137 HydrophobicContact CG-CD1 4.17Å; F133-I137 HydrophobicContact CZ-CD1 3.46Å; F133-I137 VanDerWaalsContact CZ-CD1 3.46Å; F133-I137 HydrophobicContact CZ-CG1 4.3Å; F133-I137 WeakPolarHBondContact O-CB 3.25Å; F133-I137 VanDerWaalsContact O-CG1 3.27Å; F133-I137 WeakPolarHBondContact O-CG1 3.46Å; F133-I137 PolarHBondContact O-N 2.83Å; S134-I137 PolarHBondContact O-N 3.4Å; I137-N139 VanDerWaalsContact C-N 3.31Å; I137-N139 PolarHBondContact O-N 2.89Å; I137-I140 WeakPolarHBondContact O-CG2 3.23Å; I137-Y141 VanDerWaalsContact O-CB 3.26Å; I137-Y141 WeakPolarHBondContact O-CB 3.15Å; I137-Y141 PolarHBondContact O-N 3.13Å |
| 138 | Y | 85.1 | Confident | 78.3 | Confident | 132 Ų | 132 | 69 Ų | 69 | 52% | 0.518 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.9 | -40 | 177.6 | 179.8 | -100.2 | 0 | 0 | 0 | 111.5 | S134 L135 D136 Y141 R142 | S134-Y138 WeakPolarHBondContact O-CB 3.38Å; S134-Y138 PolarHBondContact O-N 3.43Å; L135-Y138 WeakPolarHBondContact O-CB 3.32Å; L135-Y138 PolarHBondContact O-N 3.4Å; D136-Y138 VanDerWaalsContact C-N 3.31Å; D136-Y138 PolarHBondContact O-N 2.95Å; Y138-Y141 PolarHBondContact O-N 3.04Å; Y138-R142 WeakPolarHBondContact O-CB 3.27Å; Y138-R142 PolarHBondContact O-N 3.42Å |
| 139 | N | 78.5 | Confident | 76.1 | Confident | 16 Ų | 16 | 78.4 Ų | 78.4 | 9% | 0.086 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -66 | -46.1 | 178.4 | -71.3 | -23.4 | 0 | 0 | 0 | 112.3 | L135 D136 I137 Y141 R142 H143 F179 | L135-N139 WeakPolarHBondContact O-CB 3.43Å; L135-N139 PolarHBondContact O-N 2.95Å; L135-N139 PolarHBondContact O-ND2 2.97Å; D136-N139 PolarHBondContact O-N 3.3Å; I137-N139 VanDerWaalsContact C-N 3.31Å; I137-N139 PolarHBondContact O-N 2.89Å; N139-Y141 VanDerWaalsContact C-N 3.31Å; N139-Y141 PolarHBondContact O-N 3.41Å; N139-R142 PolarHBondContact O-N 3.07Å; N139-H143 WeakPolarHBondContact O-CB 3.4Å; N139-H143 PolarHBondContact O-N 3.43Å; N139-F179 VanDerWaalsContact ND2-CZ 3.33Å; N139-F179 WeakPolarHBondContact ND2-CZ 3.39Å |
| 140 | I | 82.5 | Confident | 74.2 | Confident | 48 Ų | 48 | 86.6 Ų | 86.6 | 25% | 0.246 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -64.9 | -37.6 | 176.1 | -169.6 | 170.3 | 0 | 0 | 0 | 111.4 | L94 D136 I137 H143 S144 | L94-I140 HydrophobicContact CD1-CD1 4.46Å; L94-I140 HydrophobicContact CD1-CG2 3.98Å; D136-I140 WeakPolarHBondContact O-CG2 3.3Å; D136-I140 PolarHBondContact O-N 3.15Å; I137-I140 WeakPolarHBondContact O-CG2 3.23Å; I140-H143 PolarHBondContact O-N 3.49Å; I140-S144 WeakPolarHBondContact O-CB 3.37Å; I140-S144 PolarHBondContact O-N 3.4Å |
| 141 | Y | 84.1 | Confident | 72.4 | Confident | 145 Ų | 145 | 91.5 Ų | 91.5 | 57% | 0.569 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -62.5 | -45.2 | 175.1 | 179.2 | -103.8 | 0 | 0 | 0 | 111.5 | I137 Y138 N139 H143 S144 N145 | I137-Y141 VanDerWaalsContact O-CB 3.26Å; I137-Y141 WeakPolarHBondContact O-CB 3.15Å; I137-Y141 PolarHBondContact O-N 3.13Å; Y138-Y141 PolarHBondContact O-N 3.04Å; N139-Y141 VanDerWaalsContact C-N 3.31Å; N139-Y141 PolarHBondContact O-N 3.41Å; Y141-H143 VanDerWaalsContact C-N 3.35Å; Y141-H143 PolarHBondContact O-N 2.95Å; Y141-S144 PolarHBondContact O-N 2.94Å; Y141-N145 WeakPolarHBondContact CE1-ND2 3.2Å; Y141-N145 WeakPolarHBondContact CE2-ND2 3.25Å; Y141-N145 VanDerWaalsContact O-CB 3.31Å; Y141-N145 WeakPolarHBondContact O-CB 3.43Å; Y141-N145 PolarHBondContact O-N 3.17Å; Y141-N145 PolarHBondContact OH-ND2 3.32Å; Y141-N145 VanDerWaalsContact OH-ND2 3.12Å |
| 142 | R | 78.6 | Confident | 70.2 | Confident | 105 Ų | 105 | 95.6 Ų | 95.6 | 40% | 0.396 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.8 | -40.7 | 175.4 | -174.7 | -176.5 | 179.1 | -166.2 | -0.2 | 111.9 | Y138 N139 N145 R146 | Y138-R142 WeakPolarHBondContact O-CB 3.27Å; Y138-R142 PolarHBondContact O-N 3.42Å; N139-R142 PolarHBondContact O-N 3.07Å; R142-N145 PolarHBondContact O-N 2.93Å; R142-R146 PolarHBondContact O-N 3.24Å |
| 143 | H | 71.6 | Confident | 68.5 | Low | 46 Ų | 46 | 98 Ų | 98 | 21% | 0.213 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -64.4 | -46.2 | 177.6 | -168.3 | 99 | 0 | 0 | 0 | 111.4 | E90 N139 I140 Y141 N145 R146 | E90-H143 IonicContact OE2-CG 2.8Å; N139-H143 WeakPolarHBondContact O-CB 3.4Å; N139-H143 PolarHBondContact O-N 3.43Å; I140-H143 PolarHBondContact O-N 3.49Å; Y141-H143 VanDerWaalsContact C-N 3.35Å; Y141-H143 PolarHBondContact O-N 2.95Å; H143-N145 VanDerWaalsContact C-N 3.26Å; H143-N145 PolarHBondContact O-N 3.34Å; H143-R146 PolarHBondContact O-N 2.88Å |
| 144 | S | 78.4 | Confident | 66.8 | Low | 94 Ų | 94 | 100.8 Ų | 100.8 | 66% | 0.657 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.5 | -31.6 | 176.9 | -173.9 | 0 | 0 | 0 | 0 | 112.9 | I140 Y141 | I140-S144 WeakPolarHBondContact O-CB 3.37Å; I140-S144 PolarHBondContact O-N 3.4Å; Y141-S144 PolarHBondContact O-N 2.94Å |
| 145 | N | 73.7 | Confident | 65 | Low | 81 Ų | 81 | 106.3 Ų | 106.3 | 43% | 0.433 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -0.3 | -177.6 | -78.7 | -1.9 | 0 | 0 | 0 | 114.5 | Y141 R142 H143 P147 | Y141-N145 WeakPolarHBondContact CE1-ND2 3.2Å; Y141-N145 WeakPolarHBondContact CE2-ND2 3.25Å; Y141-N145 VanDerWaalsContact O-CB 3.31Å; Y141-N145 WeakPolarHBondContact O-CB 3.43Å; Y141-N145 PolarHBondContact O-N 3.17Å; Y141-N145 PolarHBondContact OH-ND2 3.32Å; Y141-N145 VanDerWaalsContact OH-ND2 3.12Å; R142-N145 PolarHBondContact O-N 2.93Å; H143-N145 VanDerWaalsContact C-N 3.26Å; H143-N145 PolarHBondContact O-N 3.34Å; N145-P147 WeakPolarHBondContact O-CD 3.45Å |
| 146 | R | 60.7 | Low | 63.6 | Low | 131 Ų | 131 | 107.6 Ų | 107.6 | 49% | 0.494 | 54% | 0.542 | S | S | . | . | trans | -68.2 | 99.9 | 167.7 | -97.9 | -175.2 | 167.2 | 162.6 | -0.5 | 107.3 | R142 H143 S148 H164 | R142-R146 PolarHBondContact O-N 3.24Å; H143-R146 PolarHBondContact O-N 2.88Å; R146-S148 PolarHBondContact O-N 3.07Å; R146-H164 PolarHBondContact NH2-CE1 2.97Å; R146-H164 PolarHBondContact NH2-NE2 2.94Å | ||
| 147 | P | 46.5 | Very low | 62.2 | Low | 97 Ų | 97 | 112.9 Ų | 112.9 | 63% | 0.63 | 57% | 0.569 | S | S | * | * | trans | -73.1 | 139.1 | 177.1 | 1 | 20 | 0 | 0 | 0 | 106 | N145 R149 | N145-P147 WeakPolarHBondContact O-CD 3.45Å; P147-R149 HydrophobicContact CB-CG 4.43Å; P147-R149 PolarHBondContact O-N 2.75Å | ||
| 148 | S | 48.1 | Very low | 60.6 | Low | 124 Ų | 124 | 116.5 Ų | 116.5 | 87% | 0.867 | 59% | 0.585 | S | S | * | * | trans | -61.9 | 63.5 | 166.6 | -42.8 | 0 | 0 | 0 | 0 | 110.6 | R146 M150 | R146-S148 PolarHBondContact O-N 3.07Å; S148-M150 PolarHBondContact O-N 3.31Å | ||
| 149 | R | 38.5 | Very low | 59.4 | Low | 227 Ų | 227 | 116.5 Ų | 116.5 | 86% | 0.857 | 59% | 0.593 | S | S | * | * | trans | -78.9 | 55.3 | 167.5 | -81.4 | -177 | 71 | 149.7 | 0.1 | 108.8 | P147 M151 | P147-R149 HydrophobicContact CB-CG 4.43Å; P147-R149 PolarHBondContact O-N 2.75Å; R149-M151 VanDerWaalsContact C-N 3.26Å; R149-M151 PolarHBondContact O-N 3.07Å | ||
| 150 | M | 45 | Very low | 58.2 | Low | 177 Ų | 177 | 118.7 Ų | 118.7 | 87% | 0.872 | 61% | 0.609 | S | S | * | * | trans | -94.6 | 61.9 | 170.6 | -154.7 | 169.5 | 97.9 | 0 | 0 | 107.8 | S148 | S148-M150 PolarHBondContact O-N 3.31Š| ||
| 151 | M | 48 | Very low | 57.2 | Low | 165 Ų | 165 | 120.4 Ų | 120.4 | 81% | 0.813 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -171.9 | 108.8 | 163 | -105.4 | 171.7 | 179.2 | 0 | 0 | 107.1 | R149 | R149-M151 VanDerWaalsContact C-N 3.26Å; R149-M151 PolarHBondContact O-N 3.07Å |
| 152 | N | 42.4 | Very low | 55.7 | Low | 160 Ų | 160 | 121.3 Ų | 121.3 | 86% | 0.856 | 62% | 0.622 | S | S | * | * | S | Bend | trans | 127.4 | 102.4 | 162.2 | -59 | -11.3 | 0 | 0 | 0 | 112.4 | ||
| 153 | S | 47.2 | Very low | 54.8 | Low | 63 Ų | 63 | 121.4 Ų | 121.4 | 44% | 0.441 | 63% | 0.63 | S | S | . | * | trans | 108.5 | 84.3 | 160.7 | -160.3 | 0 | 0 | 0 | 0 | 116.3 | K155 V156 L157 | S153-K155 VanDerWaalsContact C-N 3.29Å; S153-K155 PolarHBondContact O-N 3.24Å; S153-V156 PolarHBondContact O-N 2.87Å; S153-V156 WeakPolarHBondContact OG-CB 3.48Å; S153-V156 WeakPolarHBondContact OG-CG2 3.44Å; S153-V156 PolarHBondContact OG-N 2.91Å; S153-L157 VanDerWaalsContact O-CB 3.28Å; S153-L157 WeakPolarHBondContact O-CB 3.36Å; S153-L157 PolarHBondContact O-N 2.89Å | ||
| 154 | S | 52 | Low | 54.2 | Low | 105 Ų | 105 | 123.2 Ų | 123.2 | 73% | 0.734 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -60.8 | -27.4 | 175.8 | -56.4 | 0 | 0 | 0 | 0 | 114.9 | E158 | S154-E158 PolarHBondContact O-N 3.38Å |
| 155 | K | 50.8 | Low | 53.5 | Low | 183 Ų | 183 | 123.4 Ų | 123.4 | 80% | 0.796 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -84.1 | -35.7 | 177.1 | -73.4 | -169.5 | 175.8 | 175.3 | 0 | 113 | S153 L157 E158 L159 | S153-K155 VanDerWaalsContact C-N 3.29Å; S153-K155 PolarHBondContact O-N 3.24Å; K155-L157 VanDerWaalsContact C-N 3.27Å; K155-E158 PolarHBondContact O-N 3.43Å; K155-L159 PolarHBondContact O-N 3.44Å |
| 156 | V | 54.2 | Low | 53.1 | Low | 83 Ų | 83 | 122 Ų | 122 | 50% | 0.503 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -68.4 | -35 | 169.1 | 175.7 | 0 | 0 | 0 | 0 | 109.1 | S153 E158 C160 | S153-V156 PolarHBondContact O-N 2.87Å; S153-V156 WeakPolarHBondContact OG-CB 3.48Å; S153-V156 WeakPolarHBondContact OG-CG2 3.44Å; S153-V156 PolarHBondContact OG-N 2.91Å; V156-E158 VanDerWaalsContact C-N 3.33Å; V156-E158 PolarHBondContact O-N 3.45Å; V156-C160 WeakPolarHBondContact O-CA 3.46Å; V156-C160 WeakPolarHBondContact O-CB 3.38Å; V156-C160 PolarHBondContact O-N 3.31Å; V156-C160 PolarHBondContact O-SG 3.06Å; V156-C160 VanDerWaalsContact O-SG 3.35Å |
| 157 | L | 54 | Low | 53 | Low | 117 Ų | 117 | 120.4 Ų | 120.4 | 61% | 0.613 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -62.1 | -35.7 | 175.5 | -171.5 | 67 | 0 | 0 | 0 | 112.3 | S153 K155 N161 | S153-L157 VanDerWaalsContact O-CB 3.28Å; S153-L157 WeakPolarHBondContact O-CB 3.36Å; S153-L157 PolarHBondContact O-N 2.89Å; K155-L157 VanDerWaalsContact C-N 3.27Å; L157-N161 VanDerWaalsContact O-CA 3.3Å; L157-N161 WeakPolarHBondContact O-CA 3.3Å; L157-N161 WeakPolarHBondContact O-CB 3.44Å; L157-N161 PolarHBondContact O-N 2.95Å |
| 158 | E | 53.6 | Low | 54 | Low | 148 Ų | 148 | 117.7 Ų | 117.7 | 69% | 0.692 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -75.5 | -45.7 | -179.4 | -164.3 | 174.6 | -171.8 | 0 | 0 | 112.5 | S154 K155 V156 N161 Y162 | S154-E158 PolarHBondContact O-N 3.38Å; K155-E158 PolarHBondContact O-N 3.43Å; V156-E158 VanDerWaalsContact C-N 3.33Å; V156-E158 PolarHBondContact O-N 3.45Å; E158-N161 PolarHBondContact O-N 3.34Å; E158-Y162 PolarHBondContact O-N 3.45Å |
| 159 | L | 59 | Low | 54.8 | Low | 132 Ų | 132 | 114.4 Ų | 114.4 | 69% | 0.691 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -68.8 | -38.9 | 174.9 | -169.2 | 68.2 | 0 | 0 | 0 | 111.4 | K155 L163 | K155-L159 PolarHBondContact O-N 3.44Å; L159-L163 WeakPolarHBondContact O-CB 3.47Å; L159-L163 PolarHBondContact O-N 3.43Å |
| 160 | C | 54.3 | Low | 56.5 | Low | 62 Ų | 62 | 108.4 Ų | 108.4 | 42% | 0.419 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66 | -39 | 169.3 | -77.5 | 0 | 0 | 0 | 0 | 110.9 | V156 Y162 L163 H164 | V156-C160 WeakPolarHBondContact O-CA 3.46Å; V156-C160 WeakPolarHBondContact O-CB 3.38Å; V156-C160 PolarHBondContact O-N 3.31Å; V156-C160 PolarHBondContact O-SG 3.06Å; V156-C160 VanDerWaalsContact O-SG 3.35Å; C160-Y162 VanDerWaalsContact C-N 3.34Å; C160-L163 PolarHBondContact O-N 3.02Å; C160-H164 VanDerWaalsContact O-CA 3.28Å; C160-H164 WeakPolarHBondContact O-CA 3.5Å; C160-H164 WeakPolarHBondContact O-CB 3.42Å; C160-H164 PolarHBondContact O-N 2.95Å |
| 161 | N | 59.9 | Low | 57.7 | Low | 83 Ų | 83 | 101.6 Ų | 101.6 | 44% | 0.444 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67.1 | -38.9 | 178.9 | -171 | 42 | 0 | 0 | 0 | 109.8 | L157 E158 H164 I165 | L157-N161 VanDerWaalsContact O-CA 3.3Å; L157-N161 WeakPolarHBondContact O-CA 3.3Å; L157-N161 WeakPolarHBondContact O-CB 3.44Å; L157-N161 PolarHBondContact O-N 2.95Å; E158-N161 PolarHBondContact O-N 3.34Å; N161-H164 PolarHBondContact O-N 3.42Å; N161-I165 VanDerWaalsContact O-CB 3.25Å; N161-I165 WeakPolarHBondContact O-CB 3.41Å; N161-I165 VanDerWaalsContact O-CD1 3.29Å; N161-I165 WeakPolarHBondContact O-CD1 3.48Å; N161-I165 WeakPolarHBondContact O-CG1 3.35Å; N161-I165 PolarHBondContact O-N 2.95Å |
| 162 | Y | 54.2 | Low | 58.8 | Low | 165 Ų | 165 | 94.5 Ų | 94.5 | 65% | 0.647 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.3 | -52.4 | 172.8 | -171.7 | -95.3 | 0 | 0 | 0 | 112 | E158 C160 H164 I165 T166 | E158-Y162 PolarHBondContact O-N 3.45Å; C160-Y162 VanDerWaalsContact C-N 3.34Å; Y162-H164 PolarHBondContact O-N 3.48Å; Y162-I165 PolarHBondContact O-N 3.27Å; Y162-T166 HydrophobicContact CD1-CG2 4.44Å; Y162-T166 HydrophobicContact CE1-CG2 4.1Å; Y162-T166 WeakPolarHBondContact O-CG2 3.38Å; Y162-T166 PolarHBondContact O-N 3.43Å; Y162-T166 PolarHBondContact O-OG1 2.85Å |
| 163 | L | 58.7 | Low | 60.4 | Low | 107 Ų | 107 | 89.4 Ų | 89.4 | 56% | 0.56 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.2 | -31.4 | 176.7 | -174.3 | 66.9 | 0 | 0 | 0 | 112.2 | L159 C160 T166 L167 | L159-L163 WeakPolarHBondContact O-CB 3.47Å; L159-L163 PolarHBondContact O-N 3.43Å; C160-L163 PolarHBondContact O-N 3.02Å; L163-T166 WeakPolarHBondContact CA-OG1 3.24Å; L163-T166 PolarHBondContact O-OG1 3.02Å; L163-L167 WeakPolarHBondContact O-CB 3.46Å; L163-L167 PolarHBondContact O-N 3.33Å |
| 164 | H | 58.9 | Low | 62 | Low | 84 Ų | 84 | 89.8 Ų | 89.8 | 39% | 0.389 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -79.4 | -36.3 | 177.8 | -177.8 | -88.6 | 0 | 0 | 0 | 110.6 | R146 C160 N161 Y162 Q168 | R146-H164 PolarHBondContact NH2-CE1 2.97Å; R146-H164 PolarHBondContact NH2-NE2 2.94Å; C160-H164 VanDerWaalsContact O-CA 3.28Å; C160-H164 WeakPolarHBondContact O-CA 3.5Å; C160-H164 WeakPolarHBondContact O-CB 3.42Å; C160-H164 PolarHBondContact O-N 2.95Å; N161-H164 PolarHBondContact O-N 3.42Å; Y162-H164 PolarHBondContact O-N 3.48Å; H164-Q168 PolarHBondContact CE1-OE1 3.49Å; H164-Q168 PolarHBondContact ND1-OE1 2.96Å; H164-Q168 VanDerWaalsContact O-CA 3.3Å; H164-Q168 WeakPolarHBondContact O-CA 3.45Å; H164-Q168 WeakPolarHBondContact O-CB 3.49Å; H164-Q168 PolarHBondContact O-N 3.45Å |
| 165 | I | 63.5 | Low | 63.2 | Low | 97 Ų | 97 | 87 Ų | 87 | 50% | 0.497 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.8 | -45.2 | 171.3 | -72.5 | 160.4 | 0 | 0 | 0 | 109 | N161 Y162 A169 | N161-I165 VanDerWaalsContact O-CB 3.25Å; N161-I165 WeakPolarHBondContact O-CB 3.41Å; N161-I165 VanDerWaalsContact O-CD1 3.29Å; N161-I165 WeakPolarHBondContact O-CD1 3.48Å; N161-I165 WeakPolarHBondContact O-CG1 3.35Å; N161-I165 PolarHBondContact O-N 2.95Å; Y162-I165 PolarHBondContact O-N 3.27Å; I165-A169 WeakPolarHBondContact O-CB 3.37Å; I165-A169 PolarHBondContact O-N 3.37Å |
| 166 | T | 66.4 | Low | 64.4 | Low | 51 Ų | 51 | 80.2 Ų | 80.2 | 31% | 0.313 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -68 | -50.3 | 178.3 | 57.4 | 0 | 0 | 0 | 0 | 111.9 | Y162 L163 Q168 A169 D170 | Y162-T166 HydrophobicContact CD1-CG2 4.44Å; Y162-T166 HydrophobicContact CE1-CG2 4.1Å; Y162-T166 WeakPolarHBondContact O-CG2 3.38Å; Y162-T166 PolarHBondContact O-N 3.43Å; Y162-T166 PolarHBondContact O-OG1 2.85Å; L163-T166 WeakPolarHBondContact CA-OG1 3.24Å; L163-T166 PolarHBondContact O-OG1 3.02Å; T166-Q168 PolarHBondContact O-N 3.04Å; T166-A169 PolarHBondContact O-N 3.12Å; T166-D170 VanDerWaalsContact O-CG 3.32Å; T166-D170 PolarHBondContact O-N 2.9Å |
| 167 | L | 59 | Low | 65.7 | Low | 99 Ų | 99 | 82.4 Ų | 82.4 | 52% | 0.518 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -67.6 | -35.6 | 179.2 | -173.9 | 66.7 | 0 | 0 | 0 | 112.5 | L163 T171 | L163-L167 WeakPolarHBondContact O-CB 3.46Å; L163-L167 PolarHBondContact O-N 3.33Å; L167-T171 HydrophobicContact CD1-CG2 4.44Å; L167-T171 WeakPolarHBondContact O-CB 3.26Å; L167-T171 VanDerWaalsContact O-CG2 3.29Å; L167-T171 WeakPolarHBondContact O-CG2 3.26Å; L167-T171 PolarHBondContact O-N 3.49Å; L167-T171 PolarHBondContact O-OG1 3.22Å |
| 168 | Q | 65.5 | Low | 67 | Low | 40 Ų | 40 | 80 Ų | 80 | 19% | 0.187 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -69.9 | -37.7 | 172.8 | -173.2 | 171.9 | -45.5 | 0 | 0 | 110.3 | H164 T166 T171 A172 | H164-Q168 PolarHBondContact CE1-OE1 3.49Å; H164-Q168 PolarHBondContact ND1-OE1 2.96Å; H164-Q168 VanDerWaalsContact O-CA 3.3Å; H164-Q168 WeakPolarHBondContact O-CA 3.45Å; H164-Q168 WeakPolarHBondContact O-CB 3.49Å; H164-Q168 PolarHBondContact O-N 3.45Å; T166-Q168 PolarHBondContact O-N 3.04Å; Q168-T171 WeakPolarHBondContact CA-OG1 3.47Å; Q168-T171 PolarHBondContact O-OG1 2.84Å; Q168-A172 WeakPolarHBondContact O-CA 3.45Å; Q168-A172 WeakPolarHBondContact O-CB 3.14Å; Q168-A172 PolarHBondContact O-N 3.42Å |
| 169 | A | 65.7 | Low | 68.1 | Low | 54 Ų | 54 | 74.2 Ų | 74.2 | 45% | 0.446 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64 | -43.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | I165 T166 S173 | I165-A169 WeakPolarHBondContact O-CB 3.37Å; I165-A169 PolarHBondContact O-N 3.37Å; T166-A169 PolarHBondContact O-N 3.12Å; A169-S173 VanDerWaalsContact O-CB 3.25Å; A169-S173 WeakPolarHBondContact O-CB 3.42Å; A169-S173 PolarHBondContact O-N 3.15Å; A169-S173 PolarHBondContact O-OG 3.27Å; A169-S173 VanDerWaalsContact O-OG 3.06Å |
| 170 | D | 73.4 | Confident | 69.1 | Low | 101 Ų | 101 | 69.3 Ų | 69.3 | 54% | 0.54 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -68 | -40 | 178.5 | -69.6 | -21.1 | 0 | 0 | 0 | 112.3 | T166 S173 T174 | T166-D170 VanDerWaalsContact O-CG 3.32Å; T166-D170 PolarHBondContact O-N 2.9Å; D170-S173 WeakPolarHBondContact CA-OG 2.85Å; D170-S173 PolarHBondContact O-OG 2.94Å; D170-T174 WeakPolarHBondContact O-CB 3.18Å; D170-T174 PolarHBondContact O-N 3.39Å; D170-T174 VanDerWaalsContact O-N 3.13Å; D170-T174 PolarHBondContact O-OG1 3.4Å |
| 171 | T | 70.4 | Confident | 70.5 | Confident | 34 Ų | 34 | 72.3 Ų | 72.3 | 21% | 0.209 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -73.6 | -42.3 | 175.7 | 54.5 | 0 | 0 | 0 | 0 | 111.2 | L167 Q168 S173 T174 F175 | L167-T171 HydrophobicContact CD1-CG2 4.44Å; L167-T171 WeakPolarHBondContact O-CB 3.26Å; L167-T171 VanDerWaalsContact O-CG2 3.29Å; L167-T171 WeakPolarHBondContact O-CG2 3.26Å; L167-T171 PolarHBondContact O-N 3.49Å; L167-T171 PolarHBondContact O-OG1 3.22Å; Q168-T171 WeakPolarHBondContact CA-OG1 3.47Å; Q168-T171 PolarHBondContact O-OG1 2.84Å; T171-S173 VanDerWaalsContact C-N 3.34Å; T171-S173 PolarHBondContact O-N 2.85Å; T171-T174 PolarHBondContact O-N 2.97Å; T171-F175 WeakPolarHBondContact O-CB 3.46Å; T171-F175 WeakPolarHBondContact O-CD2 3.2Å; T171-F175 WeakPolarHBondContact O-CG 3.42Å; T171-F175 PolarHBondContact O-N 3.45Å |
| 172 | A | 71.3 | Confident | 71.5 | Confident | 17 Ų | 17 | 69.9 Ų | 69.9 | 14% | 0.14 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.3 | -37.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q168 F175 A176 | Q168-A172 WeakPolarHBondContact O-CA 3.45Å; Q168-A172 WeakPolarHBondContact O-CB 3.14Å; Q168-A172 PolarHBondContact O-N 3.42Å; A172-F175 PolarHBondContact O-N 2.88Å; A172-A176 WeakPolarHBondContact O-CB 3.37Å; A172-A176 PolarHBondContact O-N 3.46Å |
| 173 | S | 76.4 | Confident | 72.6 | Confident | 52 Ų | 52 | 64 Ų | 64 | 36% | 0.364 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.2 | -49.1 | 173.2 | 63.4 | 0 | 0 | 0 | 0 | 110.7 | A169 D170 T171 F175 A176 E177 | A169-S173 VanDerWaalsContact O-CB 3.25Å; A169-S173 WeakPolarHBondContact O-CB 3.42Å; A169-S173 PolarHBondContact O-N 3.15Å; A169-S173 PolarHBondContact O-OG 3.27Å; A169-S173 VanDerWaalsContact O-OG 3.06Å; D170-S173 WeakPolarHBondContact CA-OG 2.85Å; D170-S173 PolarHBondContact O-OG 2.94Å; T171-S173 VanDerWaalsContact C-N 3.34Å; T171-S173 PolarHBondContact O-N 2.85Å; S173-F175 VanDerWaalsContact C-N 3.33Å; S173-F175 PolarHBondContact O-N 3.24Å; S173-A176 PolarHBondContact O-N 3.19Å; S173-E177 WeakPolarHBondContact O-CB 3.48Å; S173-E177 VanDerWaalsContact O-CG 3.32Å; S173-E177 WeakPolarHBondContact O-CG 3.34Å; S173-E177 PolarHBondContact O-N 3.32Å |
| 174 | T | 80 | Confident | 73.7 | Confident | 72 Ų | 72 | 63.3 Ų | 63.3 | 44% | 0.442 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -59.6 | -43.2 | 176.8 | -54.3 | 0 | 0 | 0 | 0 | 111.6 | D170 T171 E177 I178 | D170-T174 WeakPolarHBondContact O-CB 3.18Å; D170-T174 PolarHBondContact O-N 3.39Å; D170-T174 VanDerWaalsContact O-N 3.13Å; D170-T174 PolarHBondContact O-OG1 3.4Å; T171-T174 PolarHBondContact O-N 2.97Å; T174-E177 PolarHBondContact O-N 3.38Å; T174-I178 HydrophobicContact CG2-CD1 3.91Å; T174-I178 WeakPolarHBondContact O-CB 3.43Å; T174-I178 WeakPolarHBondContact O-CG1 3.44Å; T174-I178 PolarHBondContact O-N 2.89Å |
| 175 | F | 77.6 | Confident | 74.8 | Confident | 45 Ų | 45 | 61.8 Ų | 61.8 | 20% | 0.197 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.3 | -47.6 | 176.7 | -76.6 | -59.8 | 0 | 0 | 0 | 111 | T171 A172 S173 E177 I178 F179 | T171-F175 WeakPolarHBondContact O-CB 3.46Å; T171-F175 WeakPolarHBondContact O-CD2 3.2Å; T171-F175 WeakPolarHBondContact O-CG 3.42Å; T171-F175 PolarHBondContact O-N 3.45Å; A172-F175 PolarHBondContact O-N 2.88Å; S173-F175 VanDerWaalsContact C-N 3.33Å; S173-F175 PolarHBondContact O-N 3.24Å; F175-E177 VanDerWaalsContact C-N 3.27Å; F175-E177 PolarHBondContact O-N 2.84Å; F175-I178 PolarHBondContact O-N 3.47Å; F175-F179 HydrophobicContact CB-CD2 4.21Å; F175-F179 HydrophobicContact CB-CE2 4.29Å; F175-F179 HydrophobicContact CD1-CE2 4.43Å; F175-F179 WeakPolarHBondContact O-CB 3.15Å; F175-F179 WeakPolarHBondContact O-CD2 2.98Å; F175-F179 PolarHBondContact O-N 3.47Å |
| 176 | A | 77.4 | Confident | 75.6 | Confident | 42 Ų | 42 | 58.1 Ų | 58.1 | 35% | 0.347 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.6 | -38.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A172 S173 G180 | A172-A176 WeakPolarHBondContact O-CB 3.37Å; A172-A176 PolarHBondContact O-N 3.46Å; S173-A176 PolarHBondContact O-N 3.19Å; A176-G180 WeakPolarHBondContact O-CA 3.19Å; A176-G180 PolarHBondContact O-N 2.87Å |
| 177 | E | 79.7 | Confident | 76.2 | Confident | 129 Ų | 129 | 60 Ų | 60 | 60% | 0.603 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -64.4 | -48.5 | 173.4 | -75.4 | -178.6 | -172.3 | 0 | 0 | 111.7 | S173 T174 F175 F179 G180 L181 | S173-E177 WeakPolarHBondContact O-CB 3.48Å; S173-E177 VanDerWaalsContact O-CG 3.32Å; S173-E177 WeakPolarHBondContact O-CG 3.34Å; S173-E177 PolarHBondContact O-N 3.32Å; T174-E177 PolarHBondContact O-N 3.38Å; F175-E177 VanDerWaalsContact C-N 3.27Å; F175-E177 PolarHBondContact O-N 2.84Å; E177-F179 PolarHBondContact O-N 2.93Å; E177-G180 PolarHBondContact O-N 3.05Å; E177-L181 WeakPolarHBondContact O-CB 3.4Å; E177-L181 VanDerWaalsContact O-CG 3.29Å; E177-L181 WeakPolarHBondContact O-CG 3.34Å; E177-L181 PolarHBondContact O-N 2.95Å |
| 178 | I | 81.7 | Confident | 77.4 | Confident | 65 Ų | 65 | 61 Ų | 61 | 33% | 0.333 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.9 | -47.8 | 177.6 | -68.4 | 165.9 | 0 | 0 | 0 | 110.1 | L135 T174 F175 G180 L181 M182 | L135-I178 HydrophobicContact CD1-CG2 4.16Å; T174-I178 HydrophobicContact CG2-CD1 3.91Å; T174-I178 WeakPolarHBondContact O-CB 3.43Å; T174-I178 WeakPolarHBondContact O-CG1 3.44Å; T174-I178 PolarHBondContact O-N 2.89Å; F175-I178 PolarHBondContact O-N 3.47Å; I178-G180 PolarHBondContact O-N 3.33Å; I178-L181 PolarHBondContact O-N 2.93Å; I178-M182 HydrophobicContact CG2-CG 4.36Å; I178-M182 WeakPolarHBondContact O-CB 3.41Å; I178-M182 WeakPolarHBondContact O-CG 3.43Å; I178-M182 PolarHBondContact O-N 3.43Å |
| 179 | F | 77.7 | Confident | 78.1 | Confident | 27 Ų | 27 | 60.2 Ų | 60.2 | 12% | 0.118 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.7 | -40.6 | 177.1 | -80 | -66.2 | 0 | 0 | 0 | 112 | V60 D136 N139 F175 E177 M182 I183 | V60-F179 HydrophobicContact CG1-CB 4.16Å; V60-F179 HydrophobicContact CG1-CD1 4.02Å; V60-F179 HydrophobicContact CG1-CG 4.35Å; D136-F179 WeakPolarHBondContact OD1-CE1 3.45Å; D136-F179 WeakPolarHBondContact OD1-CZ 3.38Å; N139-F179 VanDerWaalsContact ND2-CZ 3.33Å; N139-F179 WeakPolarHBondContact ND2-CZ 3.39Å; F175-F179 HydrophobicContact CB-CD2 4.21Å; F175-F179 HydrophobicContact CB-CE2 4.29Å; F175-F179 HydrophobicContact CD1-CE2 4.43Å; F175-F179 WeakPolarHBondContact O-CB 3.15Å; F175-F179 WeakPolarHBondContact O-CD2 2.98Å; F175-F179 PolarHBondContact O-N 3.47Å; E177-F179 PolarHBondContact O-N 2.93Å; F179-M182 WeakPolarHBondContact O-CB 3.36Å; F179-M182 PolarHBondContact O-N 3.36Å; F179-I183 WeakPolarHBondContact O-CD1 3.46Å; F179-I183 VanDerWaalsContact O-CG1 3.29Å; F179-I183 WeakPolarHBondContact O-CG1 3.37Å; F179-I183 PolarHBondContact O-N 3.18Å |
| 180 | G | 80.2 | Confident | 78.6 | Confident | 30 Ų | 30 | 58.8 Ų | 58.8 | 31% | 0.309 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.4 | -51.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A176 E177 I178 M182 I183 V184 | A176-G180 WeakPolarHBondContact O-CA 3.19Å; A176-G180 PolarHBondContact O-N 2.87Å; E177-G180 PolarHBondContact O-N 3.05Å; I178-G180 PolarHBondContact O-N 3.33Å; G180-M182 PolarHBondContact O-N 2.85Å; G180-I183 PolarHBondContact O-N 2.91Å; G180-V184 WeakPolarHBondContact O-CG2 3.28Å; G180-V184 PolarHBondContact O-N 3.36Å |
| 181 | L | 83 | Confident | 78.9 | Confident | 124 Ų | 124 | 61.7 Ų | 61.7 | 65% | 0.649 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -60.5 | -37.4 | 175.9 | -71.7 | 174.2 | 0 | 0 | 0 | 111.5 | E177 I178 V184 Y185 | E177-L181 WeakPolarHBondContact O-CB 3.4Å; E177-L181 VanDerWaalsContact O-CG 3.29Å; E177-L181 WeakPolarHBondContact O-CG 3.34Å; E177-L181 PolarHBondContact O-N 2.95Å; I178-L181 PolarHBondContact O-N 2.93Å; L181-V184 PolarHBondContact O-N 3.33Å; L181-Y185 WeakPolarHBondContact O-CB 3.41Å; L181-Y185 PolarHBondContact O-N 3.09Å |
| 182 | M | 80.4 | Confident | 79.5 | Confident | 33 Ų | 33 | 64.4 Ų | 64.4 | 16% | 0.163 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.8 | -45.4 | 175.1 | -86.3 | -56.5 | -31.2 | 0 | 0 | 112.4 | I128 C132 I178 F179 G180 Y185 R186 | I128-M182 HydrophobicContact CG2-CE 3.38Å; I128-M182 HydrophobicContact CG2-SD 3.85Å; C132-M182 WeakPolarHBondContact SG-CE 3.5Å; C132-M182 PolarHBondContact SG-SD 3.44Å; I178-M182 HydrophobicContact CG2-CG 4.36Å; I178-M182 WeakPolarHBondContact O-CB 3.41Å; I178-M182 WeakPolarHBondContact O-CG 3.43Å; I178-M182 PolarHBondContact O-N 3.43Å; F179-M182 WeakPolarHBondContact O-CB 3.36Å; F179-M182 PolarHBondContact O-N 3.36Å; G180-M182 PolarHBondContact O-N 2.85Å; M182-Y185 PolarHBondContact O-N 3.49Å; M182-R186 HydrophobicContact CE-CG 4.27Å; M182-R186 WeakPolarHBondContact O-CG 3.46Å; M182-R186 PolarHBondContact O-N 3.02Å |
| 183 | I | 76.8 | Confident | 79.9 | Confident | 40 Ų | 40 | 65.3 Ų | 65.3 | 21% | 0.205 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63 | -47.5 | 175.8 | -66.8 | 156.1 | 0 | 0 | 0 | 110.5 | A57 V60 F179 G180 Y185 R186 L187 | A57-I183 HydrophobicContact CB-CG2 4.31Å; V60-I183 HydrophobicContact CB-CD1 4.1Å; V60-I183 HydrophobicContact CB-CG1 4.45Å; V60-I183 HydrophobicContact CG1-CD1 3.69Å; V60-I183 HydrophobicContact CG1-CG1 4.25Å; F179-I183 WeakPolarHBondContact O-CD1 3.46Å; F179-I183 VanDerWaalsContact O-CG1 3.29Å; F179-I183 WeakPolarHBondContact O-CG1 3.37Å; F179-I183 PolarHBondContact O-N 3.18Å; G180-I183 PolarHBondContact O-N 2.91Å; I183-Y185 VanDerWaalsContact C-N 3.29Å; I183-Y185 PolarHBondContact O-N 3.46Å; I183-R186 PolarHBondContact O-N 3.39Å; I183-L187 HydrophobicContact CG2-CD1 3.88Å; I183-L187 HydrophobicContact CG2-CG 4.28Å; I183-L187 WeakPolarHBondContact O-CG 3.45Å; I183-L187 PolarHBondContact O-N 3.4Å |
| 184 | V | 81.6 | Confident | 79.9 | Confident | 94 Ų | 94 | 66 Ų | 66 | 57% | 0.57 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -59.3 | -43.2 | 179.2 | 174.2 | 0 | 0 | 0 | 0 | 110.6 | G180 L181 L187 W188 | G180-V184 WeakPolarHBondContact O-CG2 3.28Å; G180-V184 PolarHBondContact O-N 3.36Å; L181-V184 PolarHBondContact O-N 3.33Å; V184-L187 PolarHBondContact O-N 3.46Å; V184-W188 VanDerWaalsContact O-CB 3.28Å; V184-W188 WeakPolarHBondContact O-CB 3.43Å; V184-W188 PolarHBondContact O-N 3.18Å |
| 185 | Y | 82.9 | Confident | 79.9 | Confident | 51 Ų | 51 | 68.7 Ų | 68.7 | 20% | 0.2 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61 | -47.6 | 176.1 | -178.6 | -87.8 | 0 | 0 | 0 | 111.7 | I124 I128 L181 M182 I183 W188 Y189 | I124-Y185 VanDerWaalsContact CG2-OH 3.26Å; I124-Y185 WeakPolarHBondContact CG2-OH 3.43Å; I128-Y185 HydrophobicContact CB-CE1 4.27Å; I128-Y185 HydrophobicContact CD1-CD1 3.75Å; I128-Y185 HydrophobicContact CD1-CD2 4.24Å; I128-Y185 HydrophobicContact CD1-CE1 3.12Å; I128-Y185 HydrophobicContact CD1-CE2 3.64Å; I128-Y185 HydrophobicContact CD1-CG 4.29Å; I128-Y185 VanDerWaalsContact CD1-OH 3.24Å; I128-Y185 WeakPolarHBondContact CD1-OH 3.43Å; I128-Y185 HydrophobicContact CG1-CE1 4.26Å; I128-Y185 HydrophobicContact CG2-CD1 3.87Å; I128-Y185 HydrophobicContact CG2-CE1 4Å; L181-Y185 WeakPolarHBondContact O-CB 3.41Å; L181-Y185 PolarHBondContact O-N 3.09Å; M182-Y185 PolarHBondContact O-N 3.49Å; I183-Y185 VanDerWaalsContact C-N 3.29Å; I183-Y185 PolarHBondContact O-N 3.46Å; Y185-W188 HydrophobicContact CD2-CE3 4.19Å; Y185-W188 HydrophobicContact CD2-CZ3 4.41Å; Y185-W188 AromaticContact CE2-CE3 3.96Å; Y185-W188 HydrophobicContact CE2-CE3 3.96Å; Y185-W188 AromaticContact CE2-CZ3 3.78Å; Y185-W188 HydrophobicContact CE2-CZ3 3.78Å; Y185-W188 PolarHBondContact O-N 3.39Å; Y185-Y189 WeakPolarHBondContact O-CB 3.41Å; Y185-Y189 PolarHBondContact O-N 3.35Å |
| 186 | R | 79.8 | Confident | 79.9 | Confident | 20 Ų | 20 | 71.1 Ų | 71.1 | 8% | 0.075 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.1 | -47.2 | 177.7 | -75 | -179.3 | -178 | -99.6 | -7.6 | 111.5 | T53 E56 C132 M182 I183 W188 Y189 I190 | T53-R186 HydrophobicContact CG2-CB 4.46Å; E56-R186 VanDerWaalsContact CD-NH1 3.3Å; E56-R186 WeakPolarHBondContact OE1-CD 3.39Å; E56-R186 IonicContact OE1-CZ 2.9Å; E56-R186 IonicContact OE1-NE 3.04Å; E56-R186 PolarHBondContact OE1-NE 3.42Å; E56-R186 IonicContact OE1-NH1 2.95Å; E56-R186 PolarHBondContact OE1-NH1 3.31Å; E56-R186 IonicContact OE1-NH2 3.53Å; E56-R186 IonicContact OE2-CZ 3.59Å; E56-R186 IonicContact OE2-NE 3.88Å; E56-R186 IonicContact OE2-NH1 2.84Å; E56-R186 PolarHBondContact OE2-NH1 3.49Å; C132-R186 PolarHBondContact SG-NH2 2.9Å; C132-R186 VanDerWaalsContact SG-NH2 3.45Å; M182-R186 HydrophobicContact CE-CG 4.27Å; M182-R186 WeakPolarHBondContact O-CG 3.46Å; M182-R186 PolarHBondContact O-N 3.02Å; I183-R186 PolarHBondContact O-N 3.39Å; R186-W188 PolarHBondContact O-N 3Å; R186-Y189 WeakPolarHBondContact O-CB 3.29Å; R186-Y189 PolarHBondContact O-N 2.88Å; R186-I190 WeakPolarHBondContact O-CD1 3.33Å; R186-I190 WeakPolarHBondContact O-CG1 3.43Å; R186-I190 PolarHBondContact O-N 2.84Å |
| 187 | L | 79.5 | Confident | 79.8 | Confident | 90 Ų | 90 | 70.2 Ų | 70.2 | 47% | 0.471 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.9 | -43.2 | 177.3 | -70.4 | 175.3 | 0 | 0 | 0 | 112.2 | I183 V184 Y189 I190 R191 | I183-L187 HydrophobicContact CG2-CD1 3.88Å; I183-L187 HydrophobicContact CG2-CG 4.28Å; I183-L187 WeakPolarHBondContact O-CG 3.45Å; I183-L187 PolarHBondContact O-N 3.4Å; V184-L187 PolarHBondContact O-N 3.46Å; L187-Y189 VanDerWaalsContact C-N 3.32Å; L187-Y189 PolarHBondContact O-N 3.29Å; L187-I190 HydrophobicContact CD2-CD1 4.38Å; L187-I190 PolarHBondContact O-N 3.05Å; L187-R191 WeakPolarHBondContact O-CB 3.08Å; L187-R191 PolarHBondContact O-N 3.18Å |
| 188 | W | 84 | Confident | 79.6 | Confident | 122 Ų | 122 | 68.3 Ų | 68.3 | 46% | 0.462 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.4 | -44.2 | 175.6 | 174.3 | 77.3 | 0 | 0 | 0 | 111.6 | V184 Y185 R186 R191 R192 | V184-W188 VanDerWaalsContact O-CB 3.28Å; V184-W188 WeakPolarHBondContact O-CB 3.43Å; V184-W188 PolarHBondContact O-N 3.18Å; Y185-W188 HydrophobicContact CD2-CE3 4.19Å; Y185-W188 HydrophobicContact CD2-CZ3 4.41Å; Y185-W188 AromaticContact CE2-CE3 3.96Å; Y185-W188 HydrophobicContact CE2-CE3 3.96Å; Y185-W188 AromaticContact CE2-CZ3 3.78Å; Y185-W188 HydrophobicContact CE2-CZ3 3.78Å; Y185-W188 PolarHBondContact O-N 3.39Å; R186-W188 PolarHBondContact O-N 3Å; W188-R191 PolarHBondContact O-N 2.98Å; W188-R192 WeakPolarHBondContact O-CB 3.17Å; W188-R192 PolarHBondContact O-N 3.36Å |
| 189 | Y | 79.5 | Confident | 79.4 | Confident | 23 Ų | 23 | 72 Ų | 72 | 9% | 0.09 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.5 | -49.8 | 176.2 | 168.3 | -102.9 | 0 | 0 | 0 | 111.7 | F122 D125 Y185 R186 L187 R191 R192 F193 | F122-Y189 WeakPolarHBondContact CD1-OH 3.37Å; D125-Y189 HydrophobicContact CB-CD2 4.23Å; D125-Y189 HydrophobicContact CB-CE1 4.25Å; D125-Y189 HydrophobicContact CB-CE2 3.74Å; D125-Y189 WeakPolarHBondContact OD1-CE1 3.4Å; D125-Y189 WeakPolarHBondContact OD2-CE1 3.18Å; D125-Y189 PolarHBondContact OD2-OH 2.8Å; Y185-Y189 WeakPolarHBondContact O-CB 3.41Å; Y185-Y189 PolarHBondContact O-N 3.35Å; R186-Y189 WeakPolarHBondContact O-CB 3.29Å; R186-Y189 PolarHBondContact O-N 2.88Å; L187-Y189 VanDerWaalsContact C-N 3.32Å; L187-Y189 PolarHBondContact O-N 3.29Å; Y189-R191 VanDerWaalsContact C-N 3.32Å; Y189-R191 PolarHBondContact O-N 3.35Å; Y189-R192 CarbonylContact O-C 3.54Å; Y189-R192 WeakPolarHBondContact O-CA 3.35Å; Y189-R192 WeakPolarHBondContact O-CB 3.39Å; Y189-R192 PolarHBondContact O-N 3.37Å; Y189-F193 WeakPolarHBondContact O-CB 3.22Å; Y189-F193 PolarHBondContact O-N 2.85Å |
| 190 | I | 77.1 | Confident | 79.4 | Confident | 23 Ų | 23 | 75.4 Ų | 75.4 | 12% | 0.118 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -57.2 | -47.2 | 177.7 | -62.7 | 157.2 | 0 | 0 | 0 | 110.2 | I50 T53 R186 L187 R192 F193 I194 | I50-I190 HydrophobicContact CG1-CG2 4.39Å; T53-I190 HydrophobicContact CG2-CD1 3.21Å; T53-I190 HydrophobicContact CG2-CG1 4.07Å; R186-I190 WeakPolarHBondContact O-CD1 3.33Å; R186-I190 WeakPolarHBondContact O-CG1 3.43Å; R186-I190 PolarHBondContact O-N 2.84Å; L187-I190 HydrophobicContact CD2-CD1 4.38Å; L187-I190 PolarHBondContact O-N 3.05Å; I190-R192 VanDerWaalsContact C-N 3.29Å; I190-R192 PolarHBondContact O-N 2.9Å; I190-F193 WeakPolarHBondContact O-CB 3.49Å; I190-F193 PolarHBondContact O-N 2.78Å; I190-F193 VanDerWaalsContact O-N 3.15Å; I190-I194 HydrophobicContact CG2-CD1 3.78Å; I190-I194 HydrophobicContact CG2-CG1 4.34Å; I190-I194 VanDerWaalsContact O-CG1 3.3Å; I190-I194 WeakPolarHBondContact O-CG1 3.31Å; I190-I194 PolarHBondContact O-N 3.5Å |
| 191 | R | 80.6 | Confident | 79.2 | Confident | 163 Ų | 163 | 78.3 Ų | 78.3 | 62% | 0.615 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -59.7 | -40.6 | 177.2 | -175.9 | -178.9 | 177.6 | 179 | 1.3 | 111.7 | L187 W188 Y189 R195 | L187-R191 WeakPolarHBondContact O-CB 3.08Å; L187-R191 PolarHBondContact O-N 3.18Å; W188-R191 PolarHBondContact O-N 2.98Å; Y189-R191 VanDerWaalsContact C-N 3.32Å; Y189-R191 PolarHBondContact O-N 3.35Å; R191-R195 WeakPolarHBondContact O-CG 3.38Å; R191-R195 PolarHBondContact O-N 3.45Å; R191-R195 VanDerWaalsContact O-N 3.13Å; R191-R195 PolarHBondContact O-NE 3.01Å |
| 192 | R | 82.8 | Confident | 79 | Confident | 91 Ų | 91 | 75.8 Ų | 75.8 | 34% | 0.343 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -67.2 | -41.6 | 176.1 | -175.5 | 173.6 | 178.7 | 83.6 | -2 | 111.1 | L121 W188 Y189 I190 R195 K196 | L121-R192 HydrophobicContact CD1-CG 4.32Å; W188-R192 WeakPolarHBondContact O-CB 3.17Å; W188-R192 PolarHBondContact O-N 3.36Å; Y189-R192 CarbonylContact O-C 3.54Å; Y189-R192 WeakPolarHBondContact O-CA 3.35Å; Y189-R192 WeakPolarHBondContact O-CB 3.39Å; Y189-R192 PolarHBondContact O-N 3.37Å; I190-R192 VanDerWaalsContact C-N 3.29Å; I190-R192 PolarHBondContact O-N 2.9Å; R192-R195 PolarHBondContact O-N 3.17Å; R192-K196 WeakPolarHBondContact O-CG 3.48Å; R192-K196 PolarHBondContact O-N 2.92Å |
| 193 | F | 79 | Confident | 78.8 | Confident | 35 Ų | 35 | 80.1 Ų | 80.1 | 15% | 0.154 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.8 | -44.6 | 178 | 178.7 | -95.1 | 0 | 0 | 0 | 111.9 | Y46 F122 Y189 I190 K196 T197 | Y46-F193 AromaticContact CD1-CE1 3.56Å; Y46-F193 HydrophobicContact CD1-CE1 3.56Å; Y46-F193 AromaticContact CD1-CZ 3.76Å; Y46-F193 HydrophobicContact CD1-CZ 3.76Å; Y46-F193 AromaticContact CE1-CE1 3.69Å; Y46-F193 HydrophobicContact CE1-CE1 3.69Å; Y46-F193 AromaticContact CE1-CZ 3.36Å; Y46-F193 HydrophobicContact CE1-CZ 3.36Å; F122-F193 HydrophobicContact CE1-CD2 4.09Å; F122-F193 AromaticContact CE1-CE2 3.96Å; F122-F193 HydrophobicContact CE1-CE2 3.96Å; F122-F193 HydrophobicContact CZ-CD2 4.12Å; F122-F193 AromaticContact CZ-CE2 3.76Å; F122-F193 HydrophobicContact CZ-CE2 3.76Å; Y189-F193 WeakPolarHBondContact O-CB 3.22Å; Y189-F193 PolarHBondContact O-N 2.85Å; I190-F193 WeakPolarHBondContact O-CB 3.49Å; I190-F193 PolarHBondContact O-N 2.78Å; I190-F193 VanDerWaalsContact O-N 3.15Å; F193-K196 PolarHBondContact O-N 2.83Å; F193-T197 WeakPolarHBondContact CE1-OG1 3.29Å; F193-T197 WeakPolarHBondContact CZ-OG1 3.37Å; F193-T197 WeakPolarHBondContact O-CB 3.42Å; F193-T197 PolarHBondContact O-N 3.43Å; F193-T197 PolarHBondContact O-OG1 3.46Å |
| 194 | I | 76.7 | Confident | 79.1 | Confident | 68 Ų | 68 | 83.5 Ų | 83.5 | 35% | 0.349 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.4 | -51.9 | 174.7 | -67.5 | 165.4 | 0 | 0 | 0 | 109.9 | I50 I190 K196 T197 V198 | I50-I194 HydrophobicContact CD1-CD1 4.35Å; I50-I194 HydrophobicContact CD1-CG1 4.32Å; I190-I194 HydrophobicContact CG2-CD1 3.78Å; I190-I194 HydrophobicContact CG2-CG1 4.34Å; I190-I194 VanDerWaalsContact O-CG1 3.3Å; I190-I194 WeakPolarHBondContact O-CG1 3.31Å; I190-I194 PolarHBondContact O-N 3.5Å; I194-K196 VanDerWaalsContact C-N 3.28Å; I194-K196 PolarHBondContact O-N 3.02Å; I194-T197 PolarHBondContact O-N 3.39Å; I194-T197 VanDerWaalsContact O-N 3.14Å; I194-V198 HydrophobicContact CG2-CG2 3.9Å; I194-V198 WeakPolarHBondContact O-CB 3.34Å; I194-V198 VanDerWaalsContact O-CG2 3.25Å; I194-V198 WeakPolarHBondContact O-CG2 3.45Å; I194-V198 PolarHBondContact O-N 3.06Å |
| 195 | R | 79.5 | Confident | 79.1 | Confident | 128 Ų | 128 | 81.8 Ų | 81.8 | 48% | 0.483 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -55.3 | -44 | 178.3 | -78.6 | -175.3 | -76.4 | -166 | -0.8 | 112 | R191 R192 F199 | R191-R195 WeakPolarHBondContact O-CG 3.38Å; R191-R195 PolarHBondContact O-N 3.45Å; R191-R195 VanDerWaalsContact O-N 3.13Å; R191-R195 PolarHBondContact O-NE 3.01Å; R192-R195 PolarHBondContact O-N 3.17Å; R195-F199 WeakPolarHBondContact O-CB 3.48Å; R195-F199 PolarHBondContact O-N 3.07Å |
| 196 | K | 77 | Confident | 79 | Confident | 95 Ų | 95 | 84 Ų | 84 | 41% | 0.413 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.4 | -45.5 | 176.9 | -74.1 | -176.9 | 174.1 | -142.9 | 0 | 112.4 | L121 R192 F193 I194 F199 I200 | L121-K196 HydrophobicContact CD1-CD 3.98Å; R192-K196 WeakPolarHBondContact O-CG 3.48Å; R192-K196 PolarHBondContact O-N 2.92Å; F193-K196 PolarHBondContact O-N 2.83Å; I194-K196 VanDerWaalsContact C-N 3.28Å; I194-K196 PolarHBondContact O-N 3.02Å; K196-F199 PolarHBondContact O-N 3.39Å; K196-I200 WeakPolarHBondContact O-CD1 3.3Å; K196-I200 WeakPolarHBondContact O-CG1 3.43Å; K196-I200 PolarHBondContact O-N 3.36Å |
| 197 | T | 75.8 | Confident | 79.3 | Confident | 24 Ų | 24 | 88.5 Ų | 88.5 | 15% | 0.147 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -68.3 | -43.3 | -178.7 | -58.6 | 0 | 0 | 0 | 0 | 111.7 | F193 I194 I200 K201 | F193-T197 WeakPolarHBondContact CE1-OG1 3.29Å; F193-T197 WeakPolarHBondContact CZ-OG1 3.37Å; F193-T197 WeakPolarHBondContact O-CB 3.42Å; F193-T197 PolarHBondContact O-N 3.43Å; F193-T197 PolarHBondContact O-OG1 3.46Å; I194-T197 PolarHBondContact O-N 3.39Å; I194-T197 VanDerWaalsContact O-N 3.14Å; T197-I200 PolarHBondContact O-N 2.84Å; T197-K201 HydrophobicContact CG2-CD 4.46Å; T197-K201 WeakPolarHBondContact O-CB 2.92Å; T197-K201 WeakPolarHBondContact O-CG 3.12Å; T197-K201 PolarHBondContact O-N 3.35Å |
| 198 | V | 76.9 | Confident | 79.7 | Confident | 88 Ų | 88 | 89.1 Ų | 89.1 | 53% | 0.533 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.3 | -45 | 174.4 | 172.8 | 0 | 0 | 0 | 0 | 110.1 | I194 I200 K201 S202 | I194-V198 HydrophobicContact CG2-CG2 3.9Å; I194-V198 WeakPolarHBondContact O-CB 3.34Å; I194-V198 VanDerWaalsContact O-CG2 3.25Å; I194-V198 WeakPolarHBondContact O-CG2 3.45Å; I194-V198 PolarHBondContact O-N 3.06Å; V198-I200 PolarHBondContact O-N 2.9Å; V198-K201 PolarHBondContact O-N 2.86Å; V198-S202 WeakPolarHBondContact O-CB 3.49Å; V198-S202 PolarHBondContact O-N 3.49Å |
| 199 | F | 76.7 | Confident | 79.8 | Confident | 142 Ų | 142 | 87.5 Ų | 87.5 | 62% | 0.623 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -60.8 | -42.9 | 176.6 | -178.6 | -100.5 | 0 | 0 | 0 | 112.4 | R195 K196 S202 K203 | R195-F199 WeakPolarHBondContact O-CB 3.48Å; R195-F199 PolarHBondContact O-N 3.07Å; K196-F199 PolarHBondContact O-N 3.39Å; F199-S202 PolarHBondContact O-N 3.31Å; F199-K203 WeakPolarHBondContact O-CB 3.42Å; F199-K203 PolarHBondContact O-N 3.23Å |
| 200 | I | 77.5 | Confident | 80.3 | Confident | 99 Ų | 99 | 91.3 Ų | 91.3 | 51% | 0.508 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64 | -46.3 | 176.9 | -69 | 162.9 | 0 | 0 | 0 | 110.8 | K196 T197 V198 K203 Q204 | K196-I200 WeakPolarHBondContact O-CD1 3.3Å; K196-I200 WeakPolarHBondContact O-CG1 3.43Å; K196-I200 PolarHBondContact O-N 3.36Å; T197-I200 PolarHBondContact O-N 2.84Å; V198-I200 PolarHBondContact O-N 2.9Å; I200-K203 PolarHBondContact O-N 3.39Å; I200-Q204 WeakPolarHBondContact O-CB 2.9Å; I200-Q204 PolarHBondContact O-N 3.26Å |
| 201 | K | 76.3 | Confident | 80.9 | Confident | 92 Ų | 92 | 96 Ų | 96 | 40% | 0.4 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65.6 | -40.2 | 177.9 | -74.8 | -175.8 | 177.9 | -178.9 | 0 | 112.1 | T197 V198 Q204 S205 | T197-K201 HydrophobicContact CG2-CD 4.46Å; T197-K201 WeakPolarHBondContact O-CB 2.92Å; T197-K201 WeakPolarHBondContact O-CG 3.12Å; T197-K201 PolarHBondContact O-N 3.35Å; V198-K201 PolarHBondContact O-N 2.86Å; K201-Q204 PolarHBondContact O-N 3.3Å; K201-S205 WeakPolarHBondContact O-CB 3.48Å; K201-S205 PolarHBondContact O-N 3.27Å |
| 202 | S | 78.4 | Confident | 81.2 | Confident | 71 Ų | 71 | 94 Ų | 94 | 50% | 0.497 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.6 | -46.6 | 174.9 | 175.2 | 0 | 0 | 0 | 0 | 110.9 | V198 F199 Q204 S205 M206 | V198-S202 WeakPolarHBondContact O-CB 3.49Å; V198-S202 PolarHBondContact O-N 3.49Å; F199-S202 PolarHBondContact O-N 3.31Å; S202-Q204 VanDerWaalsContact C-N 3.33Å; S202-Q204 PolarHBondContact O-N 3.35Å; S202-S205 PolarHBondContact O-N 3.47Å; S202-M206 VanDerWaalsContact O-CB 3.29Å; S202-M206 WeakPolarHBondContact O-CB 3.34Å; S202-M206 PolarHBondContact O-N 3.3Å |
| 203 | K | 77.2 | Confident | 81.6 | Confident | 123 Ų | 123 | 94.9 Ų | 94.9 | 54% | 0.535 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.3 | -39.5 | 176 | -171.3 | 173.3 | -176 | 173.6 | 0 | 112.3 | F199 I200 K207 | F199-K203 WeakPolarHBondContact O-CB 3.42Å; F199-K203 PolarHBondContact O-N 3.23Å; I200-K203 PolarHBondContact O-N 3.39Å; K203-K207 WeakPolarHBondContact O-CG 3.32Å; K203-K207 PolarHBondContact O-N 3Å; K203-K207 VanDerWaalsContact O-N 3.13Å |
| 204 | Q | 82.4 | Confident | 82.3 | Confident | 112 Ų | 112 | 99.6 Ų | 99.6 | 52% | 0.523 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.4 | -45.6 | 176.5 | -176.5 | 176.4 | -19 | 0 | 0 | 111.7 | I200 K201 S202 M206 K207 Q208 | I200-Q204 WeakPolarHBondContact O-CB 2.9Å; I200-Q204 PolarHBondContact O-N 3.26Å; K201-Q204 PolarHBondContact O-N 3.3Å; S202-Q204 VanDerWaalsContact C-N 3.33Å; S202-Q204 PolarHBondContact O-N 3.35Å; Q204-M206 VanDerWaalsContact C-N 3.29Å; Q204-M206 PolarHBondContact O-N 3.47Å; Q204-K207 PolarHBondContact O-N 2.99Å; Q204-Q208 WeakPolarHBondContact O-CG 3.43Å; Q204-Q208 PolarHBondContact O-N 3.29Å |
| 205 | S | 81 | Confident | 83.1 | Confident | 57 Ų | 57 | 100.4 Ų | 100.4 | 40% | 0.399 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61 | -40.9 | 176 | -169.4 | 0 | 0 | 0 | 0 | 111.2 | K201 S202 K207 Q208 I209 | K201-S205 WeakPolarHBondContact O-CB 3.48Å; K201-S205 PolarHBondContact O-N 3.27Å; S202-S205 PolarHBondContact O-N 3.47Å; S205-K207 VanDerWaalsContact C-N 3.34Å; S205-K207 PolarHBondContact O-N 2.79Å; S205-Q208 PolarHBondContact O-N 3.48Å; S205-I209 WeakPolarHBondContact O-CB 3.38Å; S205-I209 VanDerWaalsContact O-CG1 3.23Å; S205-I209 WeakPolarHBondContact O-CG1 3.44Å; S205-I209 PolarHBondContact O-N 2.78Å |
| 206 | M | 82 | Confident | 83.6 | Confident | 99 Ų | 99 | 97.8 Ų | 97.8 | 49% | 0.488 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.4 | -41.5 | 177.7 | -170.2 | 65.9 | -174.9 | 0 | 0 | 111.4 | S202 Q204 I209 Q210 | S202-M206 VanDerWaalsContact O-CB 3.29Å; S202-M206 WeakPolarHBondContact O-CB 3.34Å; S202-M206 PolarHBondContact O-N 3.3Å; Q204-M206 VanDerWaalsContact C-N 3.29Å; Q204-M206 PolarHBondContact O-N 3.47Å; M206-I209 PolarHBondContact O-N 3.48Å; M206-Q210 HydrophobicContact CE-CG 4.36Å; M206-Q210 WeakPolarHBondContact O-CB 3.35Å; M206-Q210 VanDerWaalsContact O-CG 3.26Å; M206-Q210 WeakPolarHBondContact O-CG 3.38Å; M206-Q210 PolarHBondContact O-N 3.29Å |
| 207 | K | 85 | Confident | 84.4 | Confident | 113 Ų | 113 | 97.2 Ų | 97.2 | 49% | 0.491 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 174.4 | -74.5 | -179.2 | 173.4 | -160.4 | 0 | 112.3 | K203 Q204 S205 I209 Q210 E211 | K203-K207 WeakPolarHBondContact O-CG 3.32Å; K203-K207 PolarHBondContact O-N 3Å; K203-K207 VanDerWaalsContact O-N 3.13Å; Q204-K207 PolarHBondContact O-N 2.99Å; S205-K207 VanDerWaalsContact C-N 3.34Å; S205-K207 PolarHBondContact O-N 2.79Å; K207-I209 VanDerWaalsContact C-N 3.31Å; K207-I209 PolarHBondContact O-N 3.37Å; K207-Q210 PolarHBondContact O-N 3.13Å; K207-E211 WeakPolarHBondContact O-CG 3.38Å; K207-E211 PolarHBondContact O-N 3.47Å |
| 208 | Q | 88 | Confident | 85.3 | Confident | 104 Ų | 104 | 99.9 Ų | 99.9 | 49% | 0.486 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.5 | -38.8 | 178 | -70.1 | -177.6 | -46.2 | 0 | 0 | 111.9 | Q204 S205 L212 | Q204-Q208 WeakPolarHBondContact O-CG 3.43Å; Q204-Q208 PolarHBondContact O-N 3.29Å; S205-Q208 PolarHBondContact O-N 3.48Å; Q208-L212 WeakPolarHBondContact O-CB 3.45Å; Q208-L212 WeakPolarHBondContact O-CG 2.93Å; Q208-L212 PolarHBondContact O-N 3.35Å |
| 209 | I | 87.2 | Confident | 86 | Confident | 87 Ų | 87 | 98.2 Ų | 98.2 | 45% | 0.446 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.7 | -42.2 | 174.2 | -68.4 | 164.9 | 0 | 0 | 0 | 110.5 | S205 M206 K207 L212 Q213 | S205-I209 WeakPolarHBondContact O-CB 3.38Å; S205-I209 VanDerWaalsContact O-CG1 3.23Å; S205-I209 WeakPolarHBondContact O-CG1 3.44Å; S205-I209 PolarHBondContact O-N 2.78Å; M206-I209 PolarHBondContact O-N 3.48Å; K207-I209 VanDerWaalsContact C-N 3.31Å; K207-I209 PolarHBondContact O-N 3.37Å; I209-L212 PolarHBondContact O-N 3.44Å; I209-Q213 VanDerWaalsContact O-CB 3.23Å; I209-Q213 WeakPolarHBondContact O-CB 3.39Å; I209-Q213 PolarHBondContact O-N 3.23Å |
| 210 | Q | 89.2 | Confident | 86.8 | Confident | 104 Ų | 104 | 95.6 Ų | 95.6 | 49% | 0.486 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.8 | -42.2 | 176.7 | -77 | 176.8 | -26.5 | 0 | 0 | 112.5 | M206 K207 Q213 Q214 | M206-Q210 HydrophobicContact CE-CG 4.36Å; M206-Q210 WeakPolarHBondContact O-CB 3.35Å; M206-Q210 VanDerWaalsContact O-CG 3.26Å; M206-Q210 WeakPolarHBondContact O-CG 3.38Å; M206-Q210 PolarHBondContact O-N 3.29Å; K207-Q210 PolarHBondContact O-N 3.13Å; Q210-Q213 PolarHBondContact O-N 2.78Å; Q210-Q214 WeakPolarHBondContact O-CB 2.83Å; Q210-Q214 PolarHBondContact O-N 2.76Å |
| 211 | E | 89.6 | Confident | 87.5 | Confident | 121 Ų | 121 | 97 Ų | 97 | 57% | 0.565 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.6 | -45.4 | 175.2 | -73.7 | 169.2 | -167.6 | 0 | 0 | 111.1 | K207 Q214 V215 | K207-E211 WeakPolarHBondContact O-CG 3.38Å; K207-E211 PolarHBondContact O-N 3.47Å; E211-Q214 PolarHBondContact O-N 3.4Å; E211-V215 WeakPolarHBondContact O-CG2 3.3Å; E211-V215 PolarHBondContact O-N 3.07Å; E211-V215 VanDerWaalsContact O-N 3.1Å |
| 212 | L | 88.1 | Confident | 88.4 | Confident | 120 Ų | 120 | 99.5 Ų | 99.5 | 63% | 0.628 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.2 | -42.3 | 175.7 | -76.4 | 166.2 | 0 | 0 | 0 | 112.2 | Q208 I209 Q214 V215 C216 | Q208-L212 WeakPolarHBondContact O-CB 3.45Å; Q208-L212 WeakPolarHBondContact O-CG 2.93Å; Q208-L212 PolarHBondContact O-N 3.35Å; I209-L212 PolarHBondContact O-N 3.44Å; L212-Q214 VanDerWaalsContact C-N 3.31Å; L212-Q214 PolarHBondContact O-N 2.82Å; L212-V215 PolarHBondContact O-N 3.03Å; L212-C216 PolarHBondContact O-N 3.23Å |
| 213 | Q | 91.2 | Very high | 89.1 | Confident | 111 Ų | 111 | 100.2 Ų | 100.2 | 52% | 0.519 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.7 | -37 | 177.6 | -173.5 | 176 | -18 | 0 | 0 | 111.5 | I209 Q210 C216 N217 | I209-Q213 VanDerWaalsContact O-CB 3.23Å; I209-Q213 WeakPolarHBondContact O-CB 3.39Å; I209-Q213 PolarHBondContact O-N 3.23Å; Q210-Q213 PolarHBondContact O-N 2.78Å; Q213-C216 PolarHBondContact O-N 3.47Å; Q213-N217 WeakPolarHBondContact O-CB 3.29Å; Q213-N217 PolarHBondContact O-N 2.94Å; Q213-N217 PolarHBondContact O-OD1 3.31Å |
| 214 | Q | 93.5 | Very high | 89.9 | Confident | 134 Ų | 134 | 98.7 Ų | 98.7 | 63% | 0.626 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.4 | -44.5 | 173.7 | -177.2 | 178.9 | -12.9 | 0 | 0 | 111.4 | Q210 E211 L212 N217 E218 | Q210-Q214 WeakPolarHBondContact O-CB 2.83Å; Q210-Q214 PolarHBondContact O-N 2.76Å; E211-Q214 PolarHBondContact O-N 3.4Å; L212-Q214 VanDerWaalsContact C-N 3.31Å; L212-Q214 PolarHBondContact O-N 2.82Å; Q214-N217 PolarHBondContact O-N 2.98Å; Q214-E218 WeakPolarHBondContact O-CB 3.01Å; Q214-E218 PolarHBondContact O-N 3.44Å |
| 215 | V | 92.1 | Very high | 90.5 | Very high | 85 Ų | 85 | 99.1 Ų | 99.1 | 52% | 0.515 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.5 | -37.4 | 177 | 173.9 | 0 | 0 | 0 | 0 | 111.9 | E211 L212 S219 | E211-V215 WeakPolarHBondContact O-CG2 3.3Å; E211-V215 PolarHBondContact O-N 3.07Å; E211-V215 VanDerWaalsContact O-N 3.1Å; L212-V215 PolarHBondContact O-N 3.03Å; V215-S219 WeakPolarHBondContact O-CB 3.33Å; V215-S219 PolarHBondContact O-N 3.46Å; V215-S219 PolarHBondContact O-OG 3.46Å |
| 216 | C | 91.3 | Very high | 91 | Very high | 72 Ų | 72 | 102 Ų | 102 | 49% | 0.486 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.1 | -49.5 | 172.5 | -77.2 | 0 | 0 | 0 | 0 | 111.6 | L212 Q213 E218 S219 D220 | L212-C216 PolarHBondContact O-N 3.23Å; Q213-C216 PolarHBondContact O-N 3.47Å; C216-E218 VanDerWaalsContact C-N 3.3Å; C216-E218 PolarHBondContact O-N 2.67Å; C216-S219 WeakPolarHBondContact O-CB 3.14Å; C216-S219 PolarHBondContact O-N 3.13Å; C216-D220 PolarHBondContact O-N 3.44Å |
| 217 | N | 93.8 | Very high | 91.5 | Very high | 83 Ų | 83 | 102.1 Ų | 102.1 | 44% | 0.444 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.1 | -39.6 | 178.9 | -69.6 | -8.7 | 0 | 0 | 0 | 112.3 | Q213 Q214 S219 D220 Q221 | Q213-N217 WeakPolarHBondContact O-CB 3.29Å; Q213-N217 PolarHBondContact O-N 2.94Å; Q213-N217 PolarHBondContact O-OD1 3.31Å; Q214-N217 PolarHBondContact O-N 2.98Å; N217-S219 VanDerWaalsContact C-N 3.32Å; N217-D220 PolarHBondContact O-N 3.4Å; N217-Q221 WeakPolarHBondContact O-CG 3.25Å; N217-Q221 PolarHBondContact O-N 3.47Å |
| 218 | E | 94.3 | Very high | 91.9 | Very high | 80 Ų | 80 | 101.2 Ų | 101.2 | 37% | 0.374 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.7 | -37.8 | 175.2 | -173.3 | -176.5 | 159.4 | 0 | 0 | 111.7 | Q214 C216 R222 | Q214-E218 WeakPolarHBondContact O-CB 3.01Å; Q214-E218 PolarHBondContact O-N 3.44Å; C216-E218 VanDerWaalsContact C-N 3.3Å; C216-E218 PolarHBondContact O-N 2.67Å; E218-R222 WeakPolarHBondContact O-CG 3.46Å; E218-R222 PolarHBondContact O-N 2.95Å; E218-R222 VanDerWaalsContact O-N 3.17Å; E218-R222 IonicContact OE1-CZ 3.32Å; E218-R222 VanDerWaalsContact OE1-CZ 3.32Å; E218-R222 IonicContact OE1-NE 3.83Å; E218-R222 IonicContact OE1-NH2 2.65Å; E218-R222 PolarHBondContact OE1-NH2 2.87Å |
| 219 | S | 91.2 | Very high | 92.2 | Very high | 54 Ų | 54 | 100.8 Ų | 100.8 | 38% | 0.378 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.1 | -42.7 | 177.3 | -57.8 | 0 | 0 | 0 | 0 | 111.8 | V215 C216 N217 Q221 R222 I223 | V215-S219 WeakPolarHBondContact O-CB 3.33Å; V215-S219 PolarHBondContact O-N 3.46Å; V215-S219 PolarHBondContact O-OG 3.46Å; C216-S219 WeakPolarHBondContact O-CB 3.14Å; C216-S219 PolarHBondContact O-N 3.13Å; N217-S219 VanDerWaalsContact C-N 3.32Å; S219-Q221 VanDerWaalsContact C-N 3.32Å; S219-Q221 PolarHBondContact O-N 2.98Å; S219-R222 PolarHBondContact O-N 2.97Å; S219-I223 WeakPolarHBondContact O-CG1 2.98Å; S219-I223 PolarHBondContact O-N 3.46Å |
| 220 | D | 93 | Very high | 92.5 | Very high | 86 Ų | 86 | 101.8 Ų | 101.8 | 46% | 0.46 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.9 | -38.8 | 176.1 | -71.3 | -21.4 | 0 | 0 | 0 | 111.4 | C216 N217 R222 I223 N224 | C216-D220 PolarHBondContact O-N 3.44Å; N217-D220 PolarHBondContact O-N 3.4Å; D220-R222 PolarHBondContact O-N 2.82Å; D220-I223 PolarHBondContact O-N 3.38Å; D220-N224 WeakPolarHBondContact O-CB 3.36Å; D220-N224 VanDerWaalsContact O-CG 3.23Å; D220-N224 PolarHBondContact O-N 2.88Å; D220-N224 PolarHBondContact O-ND2 3.37Å |
| 221 | Q | 93.7 | Very high | 92.6 | Very high | 129 Ų | 129 | 102.4 Ų | 102.4 | 60% | 0.603 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.4 | -43 | 173.7 | -77.3 | 179.6 | -9.8 | 0 | 0 | 112.4 | N217 S219 N224 Q225 | N217-Q221 WeakPolarHBondContact O-CG 3.25Å; N217-Q221 PolarHBondContact O-N 3.47Å; S219-Q221 VanDerWaalsContact C-N 3.32Å; S219-Q221 PolarHBondContact O-N 2.98Å; Q221-N224 PolarHBondContact O-N 2.8Å; Q221-Q225 VanDerWaalsContact O-CG 3.29Å; Q221-Q225 WeakPolarHBondContact O-CG 2.78Å; Q221-Q225 PolarHBondContact O-N 3.18Å |
| 222 | R | 94.1 | Very high | 92.7 | Very high | 144 Ų | 144 | 101 Ų | 101 | 54% | 0.543 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.8 | -41.2 | 177 | -71.4 | 176.9 | -178.9 | 177.2 | 4 | 111.6 | E218 S219 D220 Q225 L226 | E218-R222 WeakPolarHBondContact O-CG 3.46Å; E218-R222 PolarHBondContact O-N 2.95Å; E218-R222 VanDerWaalsContact O-N 3.17Å; E218-R222 IonicContact OE1-CZ 3.32Å; E218-R222 VanDerWaalsContact OE1-CZ 3.32Å; E218-R222 IonicContact OE1-NE 3.83Å; E218-R222 IonicContact OE1-NH2 2.65Å; E218-R222 PolarHBondContact OE1-NH2 2.87Å; S219-R222 PolarHBondContact O-N 2.97Å; D220-R222 PolarHBondContact O-N 2.82Å; R222-Q225 PolarHBondContact O-N 3.1Å; R222-L226 WeakPolarHBondContact O-CD1 3.28Å; R222-L226 PolarHBondContact O-N 2.72Å |
| 223 | I | 93.2 | Very high | 92.8 | Very high | 86 Ų | 86 | 99.9 Ų | 99.9 | 44% | 0.441 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.4 | -49.2 | 176.6 | -67.1 | 167 | 0 | 0 | 0 | 110.1 | S219 D220 Q225 L226 E227 | S219-I223 WeakPolarHBondContact O-CG1 2.98Å; S219-I223 PolarHBondContact O-N 3.46Å; D220-I223 PolarHBondContact O-N 3.38Å; I223-Q225 VanDerWaalsContact C-N 3.31Å; I223-Q225 PolarHBondContact O-N 2.75Å; I223-L226 CarbonylContact O-C 3.46Å; I223-L226 PolarHBondContact O-N 2.73Å; I223-L226 VanDerWaalsContact O-N 3.07Å; I223-E227 HydrophobicContact CG2-CG 4.26Å; I223-E227 WeakPolarHBondContact O-CG 3.36Å; I223-E227 PolarHBondContact O-N 3.46Å |
| 224 | N | 93.9 | Very high | 92.7 | Very high | 91 Ų | 91 | 98.3 Ų | 98.3 | 49% | 0.487 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.9 | -37.5 | 179 | -69.7 | -19.6 | 0 | 0 | 0 | 112.8 | D220 Q221 E227 T228 | D220-N224 WeakPolarHBondContact O-CB 3.36Å; D220-N224 VanDerWaalsContact O-CG 3.23Å; D220-N224 PolarHBondContact O-N 2.88Å; D220-N224 PolarHBondContact O-ND2 3.37Å; Q221-N224 PolarHBondContact O-N 2.8Å; N224-E227 PolarHBondContact O-N 2.89Å; N224-T228 WeakPolarHBondContact O-CB 3.36Å; N224-T228 PolarHBondContact O-N 2.86Å; N224-T228 PolarHBondContact O-OG1 2.82Å |
| 225 | Q | 94 | Very high | 92.5 | Very high | 121 Ų | 121 | 96.2 Ų | 96.2 | 57% | 0.565 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.1 | -45.5 | 173.2 | -76.4 | 176.7 | -21 | 0 | 0 | 111.6 | Q221 R222 I223 T228 I229 | Q221-Q225 VanDerWaalsContact O-CG 3.29Å; Q221-Q225 WeakPolarHBondContact O-CG 2.78Å; Q221-Q225 PolarHBondContact O-N 3.18Å; R222-Q225 PolarHBondContact O-N 3.1Å; I223-Q225 VanDerWaalsContact C-N 3.31Å; I223-Q225 PolarHBondContact O-N 2.75Å; Q225-T228 PolarHBondContact O-N 2.86Å; Q225-I229 VanDerWaalsContact O-CG1 3.31Å; Q225-I229 WeakPolarHBondContact O-CG1 3.04Å; Q225-I229 PolarHBondContact O-N 3.35Å |
| 226 | L | 93.2 | Very high | 92.1 | Very high | 118 Ų | 118 | 97.2 Ų | 97.2 | 62% | 0.618 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.3 | -40.8 | 176.9 | -92.8 | 76.8 | 0 | 0 | 0 | 111.7 | R222 I223 I229 L230 | R222-L226 WeakPolarHBondContact O-CD1 3.28Å; R222-L226 PolarHBondContact O-N 2.72Å; I223-L226 CarbonylContact O-C 3.46Å; I223-L226 PolarHBondContact O-N 2.73Å; I223-L226 VanDerWaalsContact O-N 3.07Å; L226-I229 PolarHBondContact O-N 3.07Å; L226-L230 WeakPolarHBondContact O-CB 3.25Å; L226-L230 PolarHBondContact O-N 2.86Å |
| 227 | E | 92.7 | Very high | 91.9 | Very high | 101 Ų | 101 | 100.5 Ų | 100.5 | 47% | 0.472 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.9 | -41.5 | 175.7 | -73.8 | -179.1 | 176.8 | 0 | 0 | 111.7 | I223 N224 L230 H231 | I223-E227 HydrophobicContact CG2-CG 4.26Å; I223-E227 WeakPolarHBondContact O-CG 3.36Å; I223-E227 PolarHBondContact O-N 3.46Å; N224-E227 PolarHBondContact O-N 2.89Å; E227-L230 PolarHBondContact O-N 3.36Å; E227-H231 PolarHBondContact O-CD2 3.06Å; E227-H231 VanDerWaalsContact O-CD2 3.29Å; E227-H231 PolarHBondContact O-N 2.81Å |
| 228 | T | 93 | Very high | 91.4 | Very high | 95 Ų | 95 | 100.6 Ų | 100.6 | 58% | 0.583 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64 | -45.5 | 176.8 | -54.2 | 0 | 0 | 0 | 0 | 111.4 | N224 Q225 L230 H231 E232 | N224-T228 WeakPolarHBondContact O-CB 3.36Å; N224-T228 PolarHBondContact O-N 2.86Å; N224-T228 PolarHBondContact O-OG1 2.82Å; Q225-T228 PolarHBondContact O-N 2.86Å; T228-L230 VanDerWaalsContact C-N 3.31Å; T228-L230 PolarHBondContact O-N 2.68Å; T228-H231 PolarHBondContact O-N 3.33Å; T228-E232 PolarHBondContact O-N 3.42Å |
| 229 | I | 94 | Very high | 90.7 | Very high | 94 Ų | 94 | 102.7 Ų | 102.7 | 48% | 0.482 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.7 | -40.9 | 176.5 | -66.6 | 165.6 | 0 | 0 | 0 | 110.2 | Q225 L226 E232 Q233 | Q225-I229 VanDerWaalsContact O-CG1 3.31Å; Q225-I229 WeakPolarHBondContact O-CG1 3.04Å; Q225-I229 PolarHBondContact O-N 3.35Å; L226-I229 PolarHBondContact O-N 3.07Å; I229-E232 PolarHBondContact O-N 3.45Å; I229-Q233 VanDerWaalsContact O-CG 3.25Å; I229-Q233 WeakPolarHBondContact O-CG 3.29Å; I229-Q233 PolarHBondContact O-N 3.33Å |
| 230 | L | 92.4 | Very high | 89.7 | Confident | 109 Ų | 109 | 106.1 Ų | 106.1 | 57% | 0.571 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64 | -45.1 | 178.4 | -169.6 | 74 | 0 | 0 | 0 | 111.5 | L226 E227 T228 E232 Q233 I234 | L226-L230 WeakPolarHBondContact O-CB 3.25Å; L226-L230 PolarHBondContact O-N 2.86Å; E227-L230 PolarHBondContact O-N 3.36Å; T228-L230 VanDerWaalsContact C-N 3.31Å; T228-L230 PolarHBondContact O-N 2.68Å; L230-E232 PolarHBondContact O-N 3.13Å; L230-Q233 PolarHBondContact O-N 3.35Å; L230-I234 HydrophobicContact CG-CD1 4.18Å; L230-I234 WeakPolarHBondContact O-CG1 3.48Å; L230-I234 PolarHBondContact O-N 2.9Å |
| 231 | H | 91.2 | Very high | 88.3 | Confident | 117 Ų | 117 | 110.3 Ų | 110.3 | 54% | 0.542 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.5 | -44.5 | 175 | -86.9 | -65.1 | 0 | 0 | 0 | 112 | E227 T228 Q233 I234 D235 | E227-H231 PolarHBondContact O-CD2 3.06Å; E227-H231 VanDerWaalsContact O-CD2 3.29Å; E227-H231 PolarHBondContact O-N 2.81Å; T228-H231 PolarHBondContact O-N 3.33Å; H231-Q233 VanDerWaalsContact C-N 3.29Å; H231-Q233 PolarHBondContact O-N 3.31Å; H231-I234 PolarHBondContact O-N 3.23Å; H231-I234 VanDerWaalsContact O-N 3.16Å; H231-D235 PolarHBondContact O-N 3.5Å |
| 232 | E | 91.7 | Very high | 86.5 | Confident | 90 Ų | 90 | 108.8 Ų | 108.8 | 42% | 0.421 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.6 | -36.4 | 177.1 | -165.8 | -165.5 | 170.6 | 0 | 0 | 112.4 | T228 I229 L230 R236 | T228-E232 PolarHBondContact O-N 3.42Å; I229-E232 PolarHBondContact O-N 3.45Å; L230-E232 PolarHBondContact O-N 3.13Å; E232-R236 WeakPolarHBondContact O-CB 3.09Å; E232-R236 WeakPolarHBondContact O-CG 3.21Å; E232-R236 PolarHBondContact O-N 3.39Å; E232-R236 IonicContact OE1-CZ 3.19Å; E232-R236 IonicContact OE1-NH1 2.68Å; E232-R236 PolarHBondContact OE1-NH1 2.72Å; E232-R236 IonicContact OE1-NH2 3.03Å; E232-R236 PolarHBondContact OE1-NH2 3.2Å; E232-R236 IonicContact OE2-NH2 3.32Å; E232-R236 PolarHBondContact OE2-NH2 3.48Å |
| 233 | Q | 90.6 | Very high | 84.6 | Confident | 98 Ų | 98 | 108.8 Ų | 108.8 | 46% | 0.458 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -70.7 | -37.5 | 176 | -66.7 | -65.2 | -29.5 | 0 | 0 | 112.3 | I229 L230 H231 K237 | I229-Q233 VanDerWaalsContact O-CG 3.25Å; I229-Q233 WeakPolarHBondContact O-CG 3.29Å; I229-Q233 PolarHBondContact O-N 3.33Å; L230-Q233 PolarHBondContact O-N 3.35Å; H231-Q233 VanDerWaalsContact C-N 3.29Å; H231-Q233 PolarHBondContact O-N 3.31Å; Q233-K237 WeakPolarHBondContact O-CB 3.41Å; Q233-K237 PolarHBondContact O-N 2.93Å |
| 234 | I | 90.4 | Very high | 82.8 | Confident | 77 Ų | 77 | 109.3 Ų | 109.3 | 40% | 0.395 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.6 | -48.9 | 174.5 | -67.7 | 166 | 0 | 0 | 0 | 109.6 | L230 H231 R236 K237 D238 | L230-I234 HydrophobicContact CG-CD1 4.18Å; L230-I234 WeakPolarHBondContact O-CG1 3.48Å; L230-I234 PolarHBondContact O-N 2.9Å; H231-I234 PolarHBondContact O-N 3.23Å; H231-I234 VanDerWaalsContact O-N 3.16Å; I234-R236 PolarHBondContact O-N 2.65Å; I234-K237 WeakPolarHBondContact O-CB 3.28Å; I234-K237 PolarHBondContact O-N 2.65Å; I234-K237 VanDerWaalsContact O-N 3.08Å; I234-D238 PolarHBondContact O-N 3.47Å |
| 235 | D | 87.6 | Confident | 80.8 | Confident | 90 Ų | 90 | 112.2 Ų | 112.2 | 48% | 0.481 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.3 | -40.9 | 178.2 | -71.7 | -16.2 | 0 | 0 | 0 | 112.2 | H231 K237 D238 N239 | H231-D235 PolarHBondContact O-N 3.5Å; D235-K237 VanDerWaalsContact C-N 3.34Å; D235-K237 PolarHBondContact O-N 3.3Å; D235-D238 PolarHBondContact O-N 2.87Å; D235-N239 WeakPolarHBondContact O-CB 3.1Å; D235-N239 PolarHBondContact O-N 3.03Å; D235-N239 PolarHBondContact O-ND2 3.35Å |
| 236 | R | 85.6 | Confident | 78.6 | Confident | 107 Ų | 107 | 111.7 Ų | 111.7 | 40% | 0.404 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -59.7 | -45.9 | 172.3 | -85.7 | -160.1 | -85 | -98.5 | -9.6 | 111.1 | E232 I234 D238 N239 L240 | E232-R236 WeakPolarHBondContact O-CB 3.09Å; E232-R236 WeakPolarHBondContact O-CG 3.21Å; E232-R236 PolarHBondContact O-N 3.39Å; E232-R236 IonicContact OE1-CZ 3.19Å; E232-R236 IonicContact OE1-NH1 2.68Å; E232-R236 PolarHBondContact OE1-NH1 2.72Å; E232-R236 IonicContact OE1-NH2 3.03Å; E232-R236 PolarHBondContact OE1-NH2 3.2Å; E232-R236 IonicContact OE2-NH2 3.32Å; E232-R236 PolarHBondContact OE2-NH2 3.48Å; I234-R236 PolarHBondContact O-N 2.65Å; R236-D238 VanDerWaalsContact C-N 3.33Å; R236-D238 PolarHBondContact O-N 2.85Å; R236-N239 PolarHBondContact O-N 3.4Å; R236-L240 WeakPolarHBondContact O-CD1 3.17Å; R236-L240 PolarHBondContact O-N 2.74Å |
| 237 | K | 85.6 | Confident | 76.2 | Confident | 140 Ų | 140 | 111.9 Ų | 111.9 | 61% | 0.609 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -63.3 | -39.2 | -179.6 | -175.3 | -179.8 | 177.7 | -178.4 | 0 | 112.3 | Q233 I234 D235 R241 | Q233-K237 WeakPolarHBondContact O-CB 3.41Å; Q233-K237 PolarHBondContact O-N 2.93Å; I234-K237 WeakPolarHBondContact O-CB 3.28Å; I234-K237 PolarHBondContact O-N 2.65Å; I234-K237 VanDerWaalsContact O-N 3.08Å; D235-K237 VanDerWaalsContact C-N 3.34Å; D235-K237 PolarHBondContact O-N 3.3Å; K237-R241 PolarHBondContact O-N 2.92Å |
| 238 | D | 84.4 | Confident | 73.8 | Confident | 86 Ų | 86 | 112.2 Ų | 112.2 | 46% | 0.46 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -73.3 | -37.1 | 178.6 | -71.4 | -21.9 | 0 | 0 | 0 | 111.9 | I234 D235 R236 L240 R241 | I234-D238 PolarHBondContact O-N 3.47Å; D235-D238 PolarHBondContact O-N 2.87Å; R236-D238 VanDerWaalsContact C-N 3.33Å; R236-D238 PolarHBondContact O-N 2.85Å; D238-L240 PolarHBondContact O-N 3.25Å; D238-R241 WeakPolarHBondContact O-CB 3.3Å; D238-R241 PolarHBondContact O-N 3.11Å |
| 239 | N | 78.2 | Confident | 71.2 | Confident | 123 Ų | 123 | 114.9 Ų | 114.9 | 66% | 0.658 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -69 | -27.6 | 173.5 | -76.9 | -52.6 | 0 | 0 | 0 | 114 | D235 R236 R241 P242 | D235-N239 WeakPolarHBondContact O-CB 3.1Å; D235-N239 PolarHBondContact O-N 3.03Å; D235-N239 PolarHBondContact O-ND2 3.35Å; R236-N239 PolarHBondContact O-N 3.4Å; N239-R241 VanDerWaalsContact C-N 3.31Å; N239-P242 WeakPolarHBondContact O-CD 2.88Å |
| 240 | L | 71.3 | Confident | 68.7 | Low | 126 Ų | 126 | 117.1 Ų | 117.1 | 66% | 0.66 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -12.9 | 174.8 | -91.8 | 83.8 | 0 | 0 | 0 | 113.2 | R236 D238 P242 | R236-L240 WeakPolarHBondContact O-CD1 3.17Å; R236-L240 PolarHBondContact O-N 2.74Å; D238-L240 PolarHBondContact O-N 3.25Å; L240-P242 VanDerWaalsContact C-CD 3.47Å |
| 241 | R | 62.9 | Low | 66.2 | Low | 174 Ų | 174 | 120.3 Ų | 120.3 | 66% | 0.657 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | -19.4 | -176.9 | -117.1 | 177.4 | -176.4 | -173.2 | -2.1 | 117 | K237 D238 N239 | K237-R241 PolarHBondContact O-N 2.92Å; D238-R241 WeakPolarHBondContact O-CB 3.3Å; D238-R241 PolarHBondContact O-N 3.11Å; N239-R241 VanDerWaalsContact C-N 3.31Å |
| 242 | P | 55.8 | Low | 63.4 | Low | 98 Ų | 98 | 124.1 Ų | 124.1 | 64% | 0.636 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -14.6 | 179.1 | -13.3 | 29.4 | 0 | 0 | 0 | 115.6 | N239 L240 | N239-P242 WeakPolarHBondContact O-CD 2.88Å; L240-P242 VanDerWaalsContact C-CD 3.47Å |
| 243 | I | 55.9 | Low | 60.8 | Low | 143 Ų | 143 | 123.3 Ų | 123.3 | 73% | 0.733 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -96.8 | -18.6 | -169 | -62.1 | 177.2 | 0 | 0 | 0 | 113.7 | ||
| 244 | S | 54.7 | Low | 58.2 | Low | 97 Ų | 97 | 127.2 Ų | 127.2 | 68% | 0.678 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | 10.8 | -175 | 53.1 | 0 | 0 | 0 | 0 | 115.9 | V246 | S244-V246 VanDerWaalsContact C-N 3.31Š|
| 245 | N | 51 | Low | 55.5 | Low | 153 Ų | 153 | 132.2 Ų | 132.2 | 82% | 0.818 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | 11.1 | 166.6 | -75.2 | 1.4 | 0 | 0 | 0 | 113.2 | ||
| 246 | V | 48.6 | Very low | 53.1 | Low | 109 Ų | 109 | 137.5 Ų | 137.5 | 66% | 0.661 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -125.5 | 122.8 | 175 | -177.3 | 0 | 0 | 0 | 0 | 108.8 | S244 | S244-V246 VanDerWaalsContact C-N 3.31Š|
| 247 | T | 42.8 | Very low | 50.6 | Low | 123 Ų | 123 | 139.1 Ų | 139.1 | 76% | 0.755 | 74% | 0.741 | S | S | * | * | trans | 80.9 | 88.8 | 172.8 | -39.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 248 | S | 42.6 | Very low | 48.2 | Very low | 108 Ų | 108 | 144.2 Ų | 144.2 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | 105 | 128 | 66.4 | -86.3 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 249 | D | 39.1 | Very low | 46.2 | Very low | 150 Ų | 150 | 145.7 Ų | 145.7 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | trans | 4 | 114.3 | 145.3 | -68.9 | -45.4 | 0 | 0 | 0 | 117.2 | ||||
| 250 | N | 39.8 | Very low | 44.1 | Very low | 141 Ų | 141 | 149 Ų | 149 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | 179.4 | 137.1 | 111.2 | -113.6 | -42.1 | 0 | 0 | 0 | 113.2 | |||||
| 251 | K | 39.6 | Very low | 42.7 | Very low | 176 Ų | 176 | 147.2 Ų | 147.2 | 77% | 0.765 | 78% | 0.783 | S | S | * | * | trans | 72.8 | 90.3 | 149.6 | -63.8 | -178.9 | -176.8 | -176.3 | 0 | 119 | ||||
| 252 | Q | 34.2 | Very low | 41.5 | Very low | 198 Ų | 198 | 148.9 Ų | 148.9 | 93% | 0.925 | 80% | 0.795 | S | S | * | * | 21 | 119.9 | 113.9 | -67.7 | 178.4 | -14 | 0 | 0 | 117.6 | |||||
| 253 | G | 35.6 | Very low | 40.8 | Very low | 73 Ų | 73 | 148.8 Ų | 148.8 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | trans | 166.1 | 91.1 | 160.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 254 | Q | 37.2 | Very low | 39.7 | Very low | 180 Ų | 180 | 148.9 Ų | 148.9 | 84% | 0.841 | 80% | 0.795 | S | S | * | * | trans | 49.2 | 105.5 | 153.4 | -73.9 | 174.1 | -35.9 | 0 | 0 | 119.5 | ||||
| 255 | Q | 33.9 | Very low | 39.1 | Very low | 181 Ų | 181 | 154.6 Ų | 154.6 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | 62.6 | 95.7 | 92.9 | -78 | -176.1 | -5.4 | 0 | 0 | 115.7 | |||||
| 256 | Q | 37.4 | Very low | 38.7 | Very low | 202 Ų | 202 | 151.1 Ų | 151.1 | 94% | 0.944 | 79% | 0.791 | S | S | * | * | -155.3 | 104.3 | 124.1 | -128.1 | 168.5 | 9.4 | 0 | 0 | 110.9 | |||||
| 257 | T | 32 | Very low | 38.3 | Very low | 140 Ų | 140 | 153.3 Ų | 153.3 | 86% | 0.859 | 80% | 0.799 | S | S | * | * | trans | -74.7 | 125.2 | 171.2 | 37.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 258 | R | 36 | Very low | 38.1 | Very low | 247 Ų | 247 | 158.9 Ų | 158.9 | 93% | 0.932 | 81% | 0.806 | S | S | * | * | trans | -136.9 | 118.8 | 151.6 | -133.5 | -177.7 | -170.6 | -177.3 | 3.5 | 109 | ||||
| 259 | P | 42 | Very low | 38.2 | Very low | 118 Ų | 118 | 159.2 Ų | 159.2 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | trans | -95.4 | 133.4 | -176.6 | 34.8 | -28.8 | 0 | 0 | 0 | 110.6 | ||||
| 260 | M | 34.1 | Very low | 38.4 | Very low | 191 Ų | 191 | 159.5 Ų | 159.5 | 94% | 0.941 | 81% | 0.805 | S | S | * | * | trans | -166.7 | 139.1 | 152.2 | -86.2 | -138.5 | 177.9 | 0 | 0 | 106.4 | ||||
| 261 | S | 41.5 | Very low | 38.5 | Very low | 90 Ų | 90 | 158.4 Ų | 158.4 | 63% | 0.629 | 81% | 0.806 | S | S | * | * | cis | -162.3 | 125.6 | -4.2 | 169.7 | 0 | 0 | 0 | 0 | 103.3 | V263 | S261-V263 PolarHBondContact O-N 3.24Š| ||
| 262 | K | 37.9 | Very low | 38.5 | Very low | 208 Ų | 208 | 161 Ų | 161 | 90% | 0.904 | 81% | 0.811 | S | S | * | * | trans | -65.2 | 101 | 168.3 | -96.2 | 179.5 | 174.9 | 176.7 | 0 | 106.8 | N264 | K262-N264 VanDerWaalsContact C-N 3.33Å; K262-N264 PolarHBondContact O-N 2.8Å | ||
| 263 | V | 41.5 | Very low | 38.6 | Very low | 97 Ų | 97 | 160.2 Ų | 160.2 | 59% | 0.588 | 81% | 0.807 | S | S | * | * | trans | -70.9 | 97.8 | 168 | -174.9 | 0 | 0 | 0 | 0 | 106.8 | S261 Y265 | S261-V263 PolarHBondContact O-N 3.24Å; V263-Y265 HydrophobicContact CB-CD2 4.38Å; V263-Y265 HydrophobicContact CB-CE2 4Å; V263-Y265 HydrophobicContact CG1-CD2 3.75Å; V263-Y265 HydrophobicContact CG1-CE1 4.27Å; V263-Y265 HydrophobicContact CG1-CE2 3.33Å; V263-Y265 HydrophobicContact CG1-CG 4.38Å; V263-Y265 PolarHBondContact O-N 3.48Å | ||
| 264 | N | 32.9 | Very low | 38.9 | Very low | 145 Ų | 145 | 166.6 Ų | 166.6 | 78% | 0.775 | 82% | 0.815 | S | S | * | * | trans | -77.6 | 96.1 | 175.5 | -150.6 | 14.2 | 0 | 0 | 0 | 107.5 | K262 S266 | K262-N264 VanDerWaalsContact C-N 3.33Å; K262-N264 PolarHBondContact O-N 2.8Å; N264-S266 PolarHBondContact O-N 3.36Å | ||
| 265 | Y | 41.5 | Very low | 39.1 | Very low | 216 Ų | 216 | 162.6 Ų | 162.6 | 85% | 0.847 | 81% | 0.806 | S | S | * | * | trans | -78 | 79.1 | 169.5 | -72.5 | -83.7 | 0 | 0 | 0 | 108.7 | V263 | V263-Y265 HydrophobicContact CB-CD2 4.38Å; V263-Y265 HydrophobicContact CB-CE2 4Å; V263-Y265 HydrophobicContact CG1-CD2 3.75Å; V263-Y265 HydrophobicContact CG1-CE1 4.27Å; V263-Y265 HydrophobicContact CG1-CE2 3.33Å; V263-Y265 HydrophobicContact CG1-CG 4.38Å; V263-Y265 PolarHBondContact O-N 3.48Å | ||
| 266 | S | 42.7 | Very low | 39.2 | Very low | 81 Ų | 81 | 158.9 Ų | 158.9 | 57% | 0.566 | 80% | 0.8 | S | S | * | * | trans | -133.1 | 124 | 163 | -170 | 0 | 0 | 0 | 0 | 107.6 | N264 | N264-S266 PolarHBondContact O-N 3.36Š| ||
| 267 | N | 40.8 | Very low | 39.2 | Very low | 154 Ų | 154 | 154.7 Ų | 154.7 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | trans | 84.5 | 82.3 | 175.5 | -53.5 | -28 | 0 | 0 | 0 | 116.9 | ||||
| 268 | R | 38.9 | Very low | 39.4 | Very low | 240 Ų | 240 | 156.2 Ų | 156.2 | 91% | 0.906 | 79% | 0.786 | S | S | * | * | trans | -128.2 | 148.2 | 134.7 | -94.5 | -162.5 | -170.7 | -165.1 | 3.8 | 111 | ||||
| 269 | P | 43 | Very low | 39.6 | Very low | 115 Ų | 115 | 159.9 Ų | 159.9 | 75% | 0.747 | 80% | 0.8 | S | S | * | * | trans | -84 | 144 | -149.2 | -1.7 | 19.9 | 0 | 0 | 0 | 111.5 | ||||
| 270 | I | 43.2 | Very low | 39.5 | Very low | 156 Ų | 156 | 162 Ų | 162 | 80% | 0.8 | 80% | 0.802 | S | S | * | * | trans | -45.6 | 124.3 | 164.9 | -61.6 | 163.5 | 0 | 0 | 0 | 108.5 | R272 | I270-R272 PolarHBondContact O-N 3.31Š| ||
| 271 | P | 43.2 | Very low | 39.8 | Very low | 118 Ų | 118 | 160.4 Ų | 160.4 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | trans | -59.1 | 112.7 | 173 | -18.3 | 30 | 0 | 0 | 0 | 108.1 | Q273 | P271-Q273 PolarHBondContact O-N 2.84Å; P271-Q273 VanDerWaalsContact O-N 3.09Å | ||
| 272 | R | 38.9 | Very low | 39.7 | Very low | 231 Ų | 231 | 164.3 Ų | 164.3 | 87% | 0.872 | 80% | 0.804 | S | S | * | * | trans | -53.3 | 119.2 | 170.8 | -80.4 | -179.2 | 179.2 | 160.3 | -0.4 | 107.8 | I270 F274 | I270-R272 PolarHBondContact O-N 3.31Å; R272-F274 PolarHBondContact O-N 3.31Å | ||
| 273 | Q | 37.7 | Very low | 39.8 | Very low | 181 Ų | 181 | 161.8 Ų | 161.8 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | trans | -47.6 | 114 | 159.6 | -70.3 | -176.2 | -22.9 | 0 | 0 | 107.7 | P271 S275 | P271-Q273 PolarHBondContact O-N 2.84Å; P271-Q273 VanDerWaalsContact O-N 3.09Å; Q273-S275 PolarHBondContact O-N 3.46Å | ||
| 274 | F | 41.6 | Very low | 39.7 | Very low | 208 Ų | 208 | 165.8 Ų | 165.8 | 91% | 0.912 | 81% | 0.811 | S | S | * | * | trans | -72.7 | 83.7 | 160.8 | -96.5 | -86.6 | 0 | 0 | 0 | 106.5 | R272 S276 | R272-F274 PolarHBondContact O-N 3.31Å; F274-S276 PolarHBondContact O-N 3.44Å | ||
| 275 | S | 41.4 | Very low | 40.1 | Very low | 95 Ų | 95 | 167.2 Ų | 167.2 | 66% | 0.664 | 81% | 0.813 | S | S | * | * | trans | -61.6 | 129.4 | 154.6 | 48.7 | 0 | 0 | 0 | 0 | 107.7 | Q273 | Q273-S275 PolarHBondContact O-N 3.46Š| ||
| 276 | S | 35 | Very low | 40 | Very low | 103 Ų | 103 | 163.7 Ų | 163.7 | 72% | 0.72 | 81% | 0.811 | S | S | * | * | trans | -36 | 142.2 | 153.1 | 46.1 | 0 | 0 | 0 | 0 | 111.6 | F274 | F274-S276 PolarHBondContact O-N 3.44Š| ||
| 277 | T | 37.7 | Very low | 39.8 | Very low | 115 Ų | 115 | 170.1 Ų | 170.1 | 71% | 0.706 | 83% | 0.83 | S | S | * | * | 166.7 | 135.2 | 126.7 | -64.1 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 278 | E | 35.8 | Very low | 39.7 | Very low | 172 Ų | 172 | 171.4 Ų | 171.4 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | trans | 72 | 95.2 | 155.6 | -80.2 | 170.8 | 147.3 | 0 | 0 | 122.4 | ||||
| 279 | R | 40.6 | Very low | 39.8 | Very low | 323 Ų | 323 | 165.2 Ų | 165.2 | 100% | 1.219 | 82% | 0.823 | S | S | * | * | 175.5 | 0 | 92.4 | -96.2 | -171.8 | -139 | 170.9 | 6.5 | 111.4 |
Retrieved 279 of 279 residues in 118.8 ms
(Link to these results)