| 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 | V | 40.8 | Very low | 43.5 | Very low | 190 Ų | 190 | 160.8 Ų | 160.8 | 100% | 1.152 | 83% | 0.834 | S | S | * | * | 0 | 98.7 | 0 | 58.3 | 0 | 0 | 0 | 0 | 106.7 | |||||
| 2 | S | 38.8 | Very low | 43.3 | Very low | 102 Ų | 102 | 156.3 Ų | 156.3 | 71% | 0.713 | 83% | 0.826 | S | S | * | * | 52 | 121.1 | 98.4 | -132 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 3 | T | 47.8 | Very low | 43.1 | Very low | 115 Ų | 115 | 152.6 Ų | 152.6 | 71% | 0.706 | 82% | 0.821 | S | S | * | * | -171.9 | 148.3 | 50.1 | 42.6 | 0 | 0 | 0 | 0 | 112 | |||||
| 4 | S | 45.4 | Very low | 43.3 | Very low | 96 Ų | 96 | 151.6 Ų | 151.6 | 67% | 0.671 | 83% | 0.829 | S | S | * | * | trans | 54.5 | 144 | 135.6 | -72.6 | 0 | 0 | 0 | 0 | 122 | ||||
| 5 | Q | 44.7 | Very low | 42.9 | Very low | 163 Ų | 163 | 146.5 Ų | 146.5 | 76% | 0.762 | 83% | 0.825 | S | S | * | * | cis | -170.1 | 141.8 | 2.7 | -111.1 | 169.5 | 21 | 0 | 0 | 109.1 | ||||
| 6 | R | 41.6 | Very low | 43.4 | Very low | 211 Ų | 211 | 148.3 Ų | 148.3 | 80% | 0.796 | 83% | 0.831 | S | S | * | * | trans | 52.9 | 136.9 | 138 | -55.8 | -77.5 | -159.9 | -169.8 | 4.6 | 118.9 | ||||
| 7 | H | 39 | Very low | 43.7 | Very low | 192 Ų | 192 | 146.3 Ų | 146.3 | 89% | 0.889 | 83% | 0.826 | S | S | * | * | -158.7 | 147.2 | 114.5 | -96.3 | 38 | 0 | 0 | 0 | 109.2 | |||||
| 8 | R | 51.9 | Low | 44 | Very low | 236 Ų | 236 | 145.1 Ų | 145.1 | 89% | 0.891 | 83% | 0.825 | S | S | * | * | trans | -84.4 | 144 | -160 | -60.7 | 174 | 166.2 | -152.9 | -3.9 | 112.9 | ||||
| 9 | P | 43.2 | Very low | 44 | Very low | 128 Ų | 128 | 143.8 Ų | 143.8 | 83% | 0.831 | 83% | 0.826 | S | S | * | * | trans | -89.1 | 130.3 | 159.9 | 9.3 | 7.8 | 0 | 0 | 0 | 112.3 | ||||
| 10 | L | 43.7 | Very low | 44.5 | Very low | 170 Ų | 170 | 143.2 Ų | 143.2 | 89% | 0.89 | 83% | 0.825 | S | S | * | * | trans | 4.4 | 126.4 | 158.1 | -53.1 | 175.2 | 0 | 0 | 0 | 119.9 | ||||
| 11 | L | 42.1 | Very low | 44.5 | Very low | 166 Ų | 166 | 141 Ų | 141 | 87% | 0.869 | 82% | 0.824 | S | S | * | * | trans | -54.5 | 135.3 | 165.3 | -82.3 | 90.1 | 0 | 0 | 0 | 111 | ||||
| 12 | S | 40.4 | Very low | 44.7 | Very low | 106 Ų | 106 | 137.6 Ų | 137.6 | 74% | 0.741 | 81% | 0.809 | S | S | * | * | 87 | 104.4 | 60.4 | -160.9 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 13 | S | 40.5 | Very low | 45.2 | Very low | 109 Ų | 109 | 136.6 Ų | 136.6 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | trans | -12.8 | 139.6 | 165 | -53.9 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 14 | C | 46.3 | Very low | 45.5 | Very low | 139 Ų | 139 | 138 Ų | 138 | 94% | 0.939 | 81% | 0.814 | S | S | * | * | trans | -11.3 | 122 | 149.1 | -46.4 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 15 | G | 37.9 | Very low | 46.1 | Very low | 74 Ų | 74 | 143.7 Ų | 143.7 | 76% | 0.763 | 82% | 0.821 | S | S | * | * | trans | -163.9 | 92.8 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 16 | L | 50.5 | Low | 46.8 | Very low | 175 Ų | 175 | 147.7 Ų | 147.7 | 92% | 0.916 | 83% | 0.829 | S | S | * | * | trans | -70.4 | 140.3 | 158.1 | -87.3 | 145.5 | 0 | 0 | 0 | 109.1 | ||||
| 17 | P | 47.8 | Very low | 47.5 | Very low | 115 Ų | 115 | 144 Ų | 144 | 75% | 0.747 | 82% | 0.824 | S | S | * | * | -141.3 | 175.5 | 118.2 | 37.7 | -22 | 0 | 0 | 0 | 112.8 | |||||
| 18 | P | 49.2 | Very low | 47.9 | Very low | 124 Ų | 124 | 141.1 Ų | 141.1 | 81% | 0.805 | 83% | 0.825 | S | S | * | * | trans | -91.9 | 148.4 | -145.9 | 36.7 | -34.2 | 0 | 0 | 0 | 112.6 | ||||
| 19 | S | 45.3 | Very low | 47.9 | Very low | 121 Ų | 121 | 134.4 Ų | 134.4 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | trans | -142.3 | 125.7 | 157 | -156.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 20 | T | 53.3 | Low | 48.6 | Very low | 131 Ų | 131 | 140.8 Ų | 140.8 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | -62.6 | 128.6 | -171.4 | 46.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 21 | A | 43.8 | Very low | 48.4 | Very low | 98 Ų | 98 | 135.5 Ų | 135.5 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | trans | 35 | 117.8 | 143.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 22 | S | 45.5 | Very low | 48.8 | Very low | 119 Ų | 119 | 134.4 Ų | 134.4 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | -164.4 | 118 | 98.7 | -157.7 | 0 | 0 | 0 | 0 | 110.9 | V24 | S22-V24 PolarHBondContact O-N 3.38Š| |||
| 23 | A | 49 | Very low | 48.9 | Very low | 81 Ų | 81 | 137.7 Ų | 137.7 | 67% | 0.669 | 82% | 0.817 | S | S | * | * | trans | -67.6 | 123.5 | 173 | 0 | 0 | 0 | 0 | 0 | 109.9 | R25 | A23-R25 VanDerWaalsContact C-N 3.29Å; A23-R25 PolarHBondContact O-N 2.7Å | ||
| 24 | V | 55.3 | Low | 48.8 | Very low | 143 Ų | 143 | 142.1 Ų | 142.1 | 87% | 0.867 | 82% | 0.822 | S | S | * | * | trans | -69.5 | 87.7 | 168.1 | -72.7 | 0 | 0 | 0 | 0 | 109.3 | S22 R26 | S22-V24 PolarHBondContact O-N 3.38Å; V24-R26 PolarHBondContact O-N 2.84Å; V24-R26 VanDerWaalsContact O-N 3.09Å | ||
| 25 | R | 57.5 | Low | 48.7 | Very low | 216 Ų | 216 | 138.5 Ų | 138.5 | 82% | 0.815 | 81% | 0.809 | S | S | * | * | trans | -72.5 | 100.9 | 169 | -76.1 | -167.4 | -91 | -137 | -1.2 | 108.7 | A23 L27 | A23-R25 VanDerWaalsContact C-N 3.29Å; A23-R25 PolarHBondContact O-N 2.7Å; R25-L27 HydrophobicContact CB-CD1 4.26Å; R25-L27 PolarHBondContact O-N 2.7Å | ||
| 26 | R | 58.7 | Low | 49.1 | Very low | 248 Ų | 248 | 140.9 Ų | 140.9 | 94% | 0.936 | 81% | 0.814 | S | S | * | * | trans | -67 | 107.1 | 153.7 | -77.9 | -175.4 | -174.4 | 164.2 | 2.1 | 107.5 | V24 | V24-R26 PolarHBondContact O-N 2.84Å; V24-R26 VanDerWaalsContact O-N 3.09Å | ||
| 27 | L | 57.2 | Low | 49.1 | Very low | 132 Ų | 132 | 135.3 Ų | 135.3 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | trans | -110.2 | 103 | 164.9 | -93.7 | 143.5 | 0 | 0 | 0 | 107.9 | R25 S29 | R25-L27 HydrophobicContact CB-CD1 4.26Å; R25-L27 PolarHBondContact O-N 2.7Å; L27-S29 PolarHBondContact O-N 2.59Å | ||
| 28 | C | 47.9 | Very low | 49.4 | Very low | 133 Ų | 133 | 138.4 Ų | 138.4 | 90% | 0.899 | 79% | 0.789 | S | S | * | * | trans | -67.7 | 110.5 | 151.4 | -71.6 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 29 | S | 50.5 | Low | 49.6 | Very low | 95 Ų | 95 | 142.6 Ų | 142.6 | 66% | 0.664 | 79% | 0.789 | S | S | * | * | trans | -117.1 | 101.8 | 170.2 | -67.9 | 0 | 0 | 0 | 0 | 109.2 | L27 G31 | L27-S29 PolarHBondContact O-N 2.59Å; S29-G31 PolarHBondContact O-N 2.72Å; S29-G31 VanDerWaalsContact O-N 3.15Å | ||
| 30 | R | 58 | Low | 50.2 | Low | 261 Ų | 261 | 144.3 Ų | 144.3 | 99% | 0.985 | 78% | 0.777 | S | S | * | * | trans | -56.3 | 106.9 | 152.1 | -92.8 | 168.4 | 134.4 | 169.4 | -6.3 | 107.3 | ||||
| 31 | G | 40.6 | Very low | 50.7 | Low | 60 Ų | 60 | 142.8 Ų | 142.8 | 62% | 0.619 | 76% | 0.764 | S | S | * | * | trans | -112.9 | 114.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | S29 L33 | S29-G31 PolarHBondContact O-N 2.72Å; S29-G31 VanDerWaalsContact O-N 3.15Å; G31-L33 PolarHBondContact O-N 3.21Å | ||
| 32 | V | 49.4 | Very low | 51.7 | Low | 143 Ų | 143 | 141.7 Ų | 141.7 | 87% | 0.867 | 74% | 0.743 | S | S | * | * | trans | -57.9 | 117.8 | 169.9 | 163.4 | 0 | 0 | 0 | 0 | 109.2 | K34 | V32-K34 PolarHBondContact O-N 2.87Š| ||
| 33 | L | 42.4 | Very low | 52.5 | Low | 175 Ų | 175 | 139.5 Ų | 139.5 | 92% | 0.916 | 72% | 0.719 | S | S | * | * | trans | -82.3 | 93.4 | 174.4 | -65.1 | 178.6 | 0 | 0 | 0 | 109.6 | G31 | G31-L33 PolarHBondContact O-N 3.21Š| ||
| 34 | K | 38.4 | Very low | 53.4 | Low | 201 Ų | 201 | 138.5 Ų | 138.5 | 87% | 0.874 | 71% | 0.707 | S | S | * | * | trans | -90 | 119.2 | 155.1 | -164.1 | 171.3 | -177.7 | 177.8 | 0 | 106.7 | V32 | V32-K34 PolarHBondContact O-N 2.87Š| ||
| 35 | G | 44.7 | Very low | 54 | Low | 64 Ų | 64 | 136.9 Ų | 136.9 | 66% | 0.66 | 69% | 0.689 | S | S | * | * | trans | -65.3 | 174.4 | -165.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 36 | S | 47.2 | Very low | 54.4 | Low | 124 Ų | 124 | 127.9 Ų | 127.9 | 87% | 0.867 | 66% | 0.655 | S | S | * | * | S | Bend | trans | 93.4 | 55.2 | 172 | 67.3 | 0 | 0 | 0 | 0 | 118.5 | ||
| 37 | N | 49.8 | Very low | 54.8 | Low | 58 Ų | 58 | 123.1 Ų | 123.1 | 31% | 0.31 | 64% | 0.641 | S | S | . | * | trans | -160.5 | 25.7 | 156.4 | -152.1 | 34.5 | 0 | 0 | 0 | 118.6 | R39 R40 D41 | N37-R39 PolarHBondContact O-N 3.14Å; N37-R40 VanDerWaalsContact CG-NE 3.25Å; N37-R40 WeakPolarHBondContact ND2-CB 3.42Å; N37-R40 VanDerWaalsContact ND2-CZ 3.26Å; N37-R40 PolarHBondContact ND2-NE 3.34Å; N37-R40 PolarHBondContact ND2-NH2 2.93Å; N37-R40 PolarHBondContact O-N 2.84Å; N37-R40 VanDerWaalsContact O-N 3.12Å; N37-R40 PolarHBondContact OD1-NE 2.89Å; N37-R40 PolarHBondContact OD1-NH2 3.34Å; N37-D41 PolarHBondContact O-N 3.14Å; N37-D41 VanDerWaalsContact O-OD2 3.06Å | ||
| 38 | E | 53.4 | Low | 55.2 | Low | 179 Ų | 179 | 123.8 Ų | 123.8 | 84% | 0.836 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -51.7 | -30.1 | -168.3 | -156 | 154.9 | 76.7 | 0 | 0 | 115.4 | M42 | E38-M42 PolarHBondContact O-N 3.06Å |
| 39 | R | 54.6 | Low | 55.7 | Low | 213 Ų | 213 | 121 Ų | 121 | 80% | 0.804 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -72.1 | -42.4 | -179.7 | -67.5 | -176.9 | -179.8 | 176.3 | 0 | 114.5 | N37 M42 E43 | N37-R39 PolarHBondContact O-N 3.14Å; R39-M42 PolarHBondContact O-N 2.76Å; R39-E43 PolarHBondContact O-N 3.22Å |
| 40 | R | 57.1 | Low | 56.1 | Low | 157 Ų | 157 | 124.3 Ų | 124.3 | 59% | 0.592 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -75.6 | -32.1 | -179.3 | -75.5 | -172.5 | -77.8 | 164.4 | -0.6 | 111.3 | N37 M42 E43 S44 | N37-R40 VanDerWaalsContact CG-NE 3.25Å; N37-R40 WeakPolarHBondContact ND2-CB 3.42Å; N37-R40 VanDerWaalsContact ND2-CZ 3.26Å; N37-R40 PolarHBondContact ND2-NE 3.34Å; N37-R40 PolarHBondContact ND2-NH2 2.93Å; N37-R40 PolarHBondContact O-N 2.84Å; N37-R40 VanDerWaalsContact O-N 3.12Å; N37-R40 PolarHBondContact OD1-NE 2.89Å; N37-R40 PolarHBondContact OD1-NH2 3.34Å; R40-M42 VanDerWaalsContact C-N 3.33Å; R40-E43 PolarHBondContact O-N 3.13Å; R40-S44 WeakPolarHBondContact O-CB 3.35Å; R40-S44 PolarHBondContact O-N 3.28Å; R40-S44 PolarHBondContact O-OG 3.32Å |
| 41 | D | 63.8 | Low | 55.7 | Low | 99 Ų | 99 | 117.1 Ų | 117.1 | 53% | 0.529 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -64.4 | -39.6 | 173.7 | -71 | -64.9 | 0 | 0 | 0 | 111.1 | N37 S44 F45 | N37-D41 PolarHBondContact O-N 3.14Å; N37-D41 VanDerWaalsContact O-OD2 3.06Å; D41-S44 PolarHBondContact O-N 3.34Å; D41-F45 WeakPolarHBondContact O-CB 3.2Å; D41-F45 PolarHBondContact O-N 3.35Å |
| 42 | M | 63.8 | Low | 55.9 | Low | 74 Ų | 74 | 120.9 Ų | 120.9 | 37% | 0.365 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -68.3 | -39.9 | 176.4 | -164.5 | 172.5 | -125 | 0 | 0 | 113.1 | E38 R39 R40 S44 F45 W46 L127 | E38-M42 PolarHBondContact O-N 3.06Å; R39-M42 PolarHBondContact O-N 2.76Å; R40-M42 VanDerWaalsContact C-N 3.33Å; M42-S44 VanDerWaalsContact C-N 3.3Å; M42-S44 PolarHBondContact O-N 3.04Å; M42-F45 PolarHBondContact O-N 3.35Å; M42-W46 PolarHBondContact O-N 3.03Å; M42-L127 HydrophobicContact CE-CD2 4.35Å |
| 43 | E | 62.7 | Low | 55.6 | Low | 73 Ų | 73 | 117.6 Ų | 117.6 | 34% | 0.341 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -60.5 | -40.3 | 171.2 | -77.6 | -172.6 | 162.2 | 0 | 0 | 111.9 | R39 R40 W46 K47 Y131 | R39-E43 PolarHBondContact O-N 3.22Å; R40-E43 PolarHBondContact O-N 3.13Å; E43-W46 PolarHBondContact O-N 3.17Å; E43-K47 WeakPolarHBondContact O-CB 3.45Å; E43-K47 VanDerWaalsContact O-CG 3.3Å; E43-K47 WeakPolarHBondContact O-CG 3.31Å; E43-K47 PolarHBondContact O-N 3.31Å; E43-Y131 HydrophobicContact CG-CE2 3.98Å |
| 44 | S | 68.4 | Low | 55.8 | Low | 60 Ų | 60 | 115 Ų | 115 | 42% | 0.42 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -68.5 | -43 | 178.6 | -56.4 | 0 | 0 | 0 | 0 | 111.5 | R40 D41 M42 W46 K47 L48 | R40-S44 WeakPolarHBondContact O-CB 3.35Å; R40-S44 PolarHBondContact O-N 3.28Å; R40-S44 PolarHBondContact O-OG 3.32Å; D41-S44 PolarHBondContact O-N 3.34Å; M42-S44 VanDerWaalsContact C-N 3.3Å; M42-S44 PolarHBondContact O-N 3.04Å; S44-W46 VanDerWaalsContact C-N 3.33Å; S44-W46 PolarHBondContact O-N 2.87Å; S44-K47 PolarHBondContact O-N 3.44Å; S44-L48 WeakPolarHBondContact O-CG 3.42Å; S44-L48 PolarHBondContact O-N 3.4Å |
| 45 | F | 67.6 | Low | 56 | Low | 109 Ų | 109 | 112.6 Ų | 112.6 | 48% | 0.478 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -59 | -42.4 | 173 | 178.8 | -100.8 | 0 | 0 | 0 | 111.8 | D41 M42 L48 N49 | D41-F45 WeakPolarHBondContact O-CB 3.2Å; D41-F45 PolarHBondContact O-N 3.35Å; M42-F45 PolarHBondContact O-N 3.35Å; F45-L48 PolarHBondContact O-N 3.21Å; F45-N49 WeakPolarHBondContact CE1-ND2 3.36Å; F45-N49 WeakPolarHBondContact CZ-ND2 3.48Å; F45-N49 PolarHBondContact O-N 2.88Å; F45-N49 VanDerWaalsContact O-N 3.09Å; F45-N49 PolarHBondContact O-ND2 3.32Å |
| 46 | W | 65.4 | Low | 56 | Low | 27 Ų | 27 | 120.7 Ų | 120.7 | 10% | 0.102 | 62% | 0.621 | C | S | . | * | H | α-helix | trans | -71.9 | -33.9 | 175.4 | -84.8 | 146.2 | 0 | 0 | 0 | 114.3 | M42 E43 S44 L48 N49 R50 L127 K128 Y131 | M42-W46 PolarHBondContact O-N 3.03Å; E43-W46 PolarHBondContact O-N 3.17Å; S44-W46 VanDerWaalsContact C-N 3.33Å; S44-W46 PolarHBondContact O-N 2.87Å; W46-L48 VanDerWaalsContact C-N 3.26Å; W46-L48 PolarHBondContact O-N 3Å; W46-N49 HydrophobicContact CE3-CB 3.61Å; W46-N49 HydrophobicContact CZ3-CB 3.73Å; W46-N49 VanDerWaalsContact CZ3-ND2 3.27Å; W46-N49 WeakPolarHBondContact CZ3-ND2 3.11Å; W46-N49 PolarHBondContact O-N 3.05Å; W46-R50 PolarHBondContact O-N 3.43Å; W46-L127 HydrophobicContact CZ2-CB 4.33Å; W46-K128 HydrophobicContact CD2-CG 4.46Å; W46-K128 HydrophobicContact CE3-CG 4.3Å; W46-K128 HydrophobicContact CH2-CB 4.36Å; W46-K128 HydrophobicContact CH2-CD 3.97Å; W46-K128 HydrophobicContact CH2-CG 3.13Å; W46-K128 HydrophobicContact CZ2-CB 3.97Å; W46-K128 HydrophobicContact CZ2-CD 4.41Å; W46-K128 HydrophobicContact CZ2-CG 3.16Å; W46-K128 HydrophobicContact CZ3-CD 4.22Å; W46-K128 VanDerWaalsContact CZ3-CE 3.45Å; W46-K128 HydrophobicContact CZ3-CG 3.71Å; W46-Y131 AromaticContact CD1-CD1 3.45Å; W46-Y131 VanDerWaalsContact CD1-CD1 3.45Å; W46-Y131 AromaticContact CD1-CD2 3.69Å; W46-Y131 AromaticContact CD1-CE1 3.91Å; W46-Y131 AromaticContact CD1-CG 3.31Å; W46-Y131 HydrophobicContact CG-CD1 4.35Å; W46-Y131 AromaticContact NE1-CD1 3.95Å; W46-Y131 AromaticContact NE1-CG 3.63Å |
| 47 | K | 66.9 | Low | 55.6 | Low | 148 Ų | 148 | 125.8 Ų | 125.8 | 64% | 0.643 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -61.9 | -35.7 | 171.6 | -78.3 | 172.1 | -179.1 | 176.3 | 0 | 112 | E43 S44 | E43-K47 WeakPolarHBondContact O-CB 3.45Å; E43-K47 VanDerWaalsContact O-CG 3.3Å; E43-K47 WeakPolarHBondContact O-CG 3.31Å; E43-K47 PolarHBondContact O-N 3.31Å; S44-K47 PolarHBondContact O-N 3.44Å |
| 48 | L | 66.1 | Low | 55.4 | Low | 146 Ų | 146 | 131 Ų | 131 | 76% | 0.764 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -74.4 | -32.5 | 177 | -71.1 | 167 | 0 | 0 | 0 | 113.1 | S44 F45 W46 | S44-L48 WeakPolarHBondContact O-CG 3.42Å; S44-L48 PolarHBondContact O-N 3.4Å; F45-L48 PolarHBondContact O-N 3.21Å; W46-L48 VanDerWaalsContact C-N 3.26Å; W46-L48 PolarHBondContact O-N 3Å |
| 49 | N | 59.1 | Low | 55.4 | Low | 74 Ų | 74 | 131 Ų | 131 | 40% | 0.396 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -85.7 | -14.5 | 178.9 | -77.5 | -22.6 | 0 | 0 | 0 | 114 | F45 W46 S51 | F45-N49 WeakPolarHBondContact CE1-ND2 3.36Å; F45-N49 WeakPolarHBondContact CZ-ND2 3.48Å; F45-N49 PolarHBondContact O-N 2.88Å; F45-N49 VanDerWaalsContact O-N 3.09Å; F45-N49 PolarHBondContact O-ND2 3.32Å; W46-N49 HydrophobicContact CE3-CB 3.61Å; W46-N49 HydrophobicContact CZ3-CB 3.73Å; W46-N49 VanDerWaalsContact CZ3-ND2 3.27Å; W46-N49 WeakPolarHBondContact CZ3-ND2 3.11Å; W46-N49 PolarHBondContact O-N 3.05Å; N49-S51 PolarHBondContact O-N 2.98Å |
| 50 | R | 58.8 | Low | 55.3 | Low | 165 Ų | 165 | 124.8 Ų | 124.8 | 62% | 0.623 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -70.8 | 104.9 | 165.9 | -89.4 | -177.2 | 164.4 | -163.1 | -8 | 108 | W46 P52 | W46-R50 PolarHBondContact O-N 3.43Å; R50-P52 WeakPolarHBondContact O-CD 3.48Å; R50-P52 VanDerWaalsContact O-N 3.16Å |
| 51 | S | 49 | Very low | 54.8 | Low | 111 Ų | 111 | 127.5 Ų | 127.5 | 78% | 0.776 | 65% | 0.649 | S | S | * | * | trans | -56.9 | 118 | 171.6 | -74 | 0 | 0 | 0 | 0 | 110.1 | N49 G53 | N49-S51 PolarHBondContact O-N 2.98Å; S51-G53 VanDerWaalsContact C-N 3.28Å; S51-G53 PolarHBondContact O-N 2.95Å | ||
| 52 | P | 45.9 | Very low | 54 | Low | 139 Ų | 139 | 126.4 Ų | 126.4 | 90% | 0.903 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | 86.3 | 171.1 | -2.8 | 20.8 | 0 | 0 | 0 | 107.3 | R50 | R50-P52 WeakPolarHBondContact O-CD 3.48Å; R50-P52 VanDerWaalsContact O-N 3.16Å |
| 53 | G | 43.7 | Very low | 53.3 | Low | 74 Ų | 74 | 125 Ų | 125 | 76% | 0.763 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -161.7 | -0.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | S51 | S51-G53 VanDerWaalsContact C-N 3.28Å; S51-G53 PolarHBondContact O-N 2.95Å |
| 54 | S | 45.5 | Very low | 52.8 | Low | 120 Ų | 120 | 125.1 Ų | 125.1 | 84% | 0.839 | 65% | 0.653 | S | S | * | * | trans | -142.1 | 56.1 | -178.3 | -156.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 55 | D | 42.2 | Very low | 52.3 | Low | 151 Ų | 151 | 130.1 Ų | 130.1 | 81% | 0.807 | 66% | 0.662 | S | S | * | * | trans | -106.4 | 22.3 | 177.7 | -164.4 | -106 | 0 | 0 | 0 | 112.3 | ||||
| 56 | R | 44.4 | Very low | 52.2 | Low | 234 Ų | 234 | 125.6 Ų | 125.6 | 88% | 0.883 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -131.6 | 115.6 | 172.7 | -67.9 | -164.5 | 178.8 | -173.9 | 2 | 110.8 | ||
| 57 | Y | 39.6 | Very low | 52.1 | Low | 231 Ų | 231 | 127.3 Ų | 127.3 | 91% | 0.906 | 66% | 0.659 | S | S | * | * | S | Bend | trans | 91.5 | 69.8 | 164.1 | -117.6 | -95.3 | 0 | 0 | 0 | 117.1 | ||
| 58 | L | 45.4 | Very low | 52.1 | Low | 166 Ų | 166 | 123.9 Ų | 123.9 | 87% | 0.869 | 67% | 0.666 | S | S | * | * | 169.3 | 69.8 | 121.7 | -159.2 | 97.8 | 0 | 0 | 0 | 109.7 | |||||
| 59 | E | 53.9 | Low | 52.8 | Low | 180 Ų | 180 | 124.3 Ų | 124.3 | 84% | 0.841 | 66% | 0.657 | S | S | * | * | trans | -76.3 | 152.3 | 158.7 | -154.8 | 170.8 | 105.6 | 0 | 0 | 108.1 | ||||
| 60 | S | 52.2 | Low | 54.2 | Low | 82 Ų | 82 | 126.4 Ų | 126.4 | 57% | 0.573 | 67% | 0.668 | S | S | * | * | S | Bend | trans | 115.4 | 18.8 | 131.6 | -149.1 | 0 | 0 | 0 | 0 | 121.2 | ||
| 61 | R | 47.4 | Very low | 55.7 | Low | 214 Ų | 214 | 119.9 Ų | 119.9 | 81% | 0.808 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -123.2 | -20.4 | 170 | -98.1 | 163.9 | 80.1 | 169.8 | 1.8 | 119.7 | ||
| 62 | D | 45.4 | Very low | 57.7 | Low | 76 Ų | 76 | 117.5 Ų | 117.5 | 41% | 0.406 | 63% | 0.631 | S | S | . | * | S | Bend | trans | -122.5 | -30.3 | -179.9 | -71.5 | -72.7 | 0 | 0 | 0 | 114.7 | S64 R65 | D62-S64 VanDerWaalsContact C-N 3.26Å; D62-S64 PolarHBondContact O-N 2.71Å; D62-R65 VanDerWaalsContact O-CB 3.31Å; D62-R65 WeakPolarHBondContact O-CB 3.27Å; D62-R65 PolarHBondContact O-N 3.42Å; D62-R65 WeakPolarHBondContact OD1-CD 3.25Å; D62-R65 IonicContact OD1-CZ 3.6Å; D62-R65 IonicContact OD1-NE 2.9Å; D62-R65 IonicContact OD1-NH1 2.72Å; D62-R65 PolarHBondContact OD1-NH1 3.26Å |
| 63 | A | 49.1 | Very low | 60 | Low | 44 Ų | 44 | 114.4 Ų | 114.4 | 36% | 0.364 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -57.2 | -39.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | R65 L66 S67 E85 | A63-R65 PolarHBondContact O-N 3.3Å; A63-L66 PolarHBondContact O-N 2.91Å; A63-S67 PolarHBondContact O-N 3.13Å; A63-S67 PolarHBondContact O-OG 2.9Å; A63-E85 VanDerWaalsContact CA-OE2 3.28Å; A63-E85 WeakPolarHBondContact CA-OE2 3.46Å; A63-E85 PolarHBondContact N-OE1 2.97Å |
| 64 | S | 53.1 | Low | 62.4 | Low | 77 Ų | 77 | 111.4 Ų | 111.4 | 54% | 0.538 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -67.3 | -17.7 | 175.4 | 41.7 | 0 | 0 | 0 | 0 | 114 | D62 | D62-S64 VanDerWaalsContact C-N 3.26Å; D62-S64 PolarHBondContact O-N 2.71Å |
| 65 | R | 57.7 | Low | 64.8 | Low | 164 Ų | 164 | 109.3 Ų | 109.3 | 62% | 0.619 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -77.9 | -28.8 | 176.9 | -66.5 | -179.3 | 162.1 | 164.3 | -9.8 | 112.6 | D62 A63 | D62-R65 VanDerWaalsContact O-CB 3.31Å; D62-R65 WeakPolarHBondContact O-CB 3.27Å; D62-R65 PolarHBondContact O-N 3.42Å; D62-R65 WeakPolarHBondContact OD1-CD 3.25Å; D62-R65 IonicContact OD1-CZ 3.6Å; D62-R65 IonicContact OD1-NE 2.9Å; D62-R65 IonicContact OD1-NH1 2.72Å; D62-R65 PolarHBondContact OD1-NH1 3.26Å; A63-R65 PolarHBondContact O-N 3.3Å |
| 66 | L | 66.1 | Low | 67.4 | Low | 15 Ų | 15 | 103.9 Ų | 103.9 | 8% | 0.079 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -94.1 | -31.2 | 177.5 | -63.1 | -179.2 | 0 | 0 | 0 | 112.3 | A63 G68 R69 W74 D78 Q81 | A63-L66 PolarHBondContact O-N 2.91Å; L66-G68 PolarHBondContact O-N 3.26Å; L66-R69 PolarHBondContact O-N 3.03Å; L66-W74 HydrophobicContact CB-CZ2 3.94Å; L66-D78 HydrophobicContact CD1-CB 4.32Å; L66-D78 HydrophobicContact CD2-CB 3.95Å; L66-Q81 HydrophobicContact CD1-CB 4.1Å; L66-Q81 HydrophobicContact CD1-CG 4.15Å |
| 67 | S | 63.3 | Low | 69.8 | Low | 63 Ų | 63 | 96.3 Ų | 96.3 | 44% | 0.441 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -11.3 | 179.8 | -68.4 | 0 | 0 | 0 | 0 | 115.7 | A63 | A63-S67 PolarHBondContact O-N 3.13Å; A63-S67 PolarHBondContact O-OG 2.9Å |
| 68 | G | 66.8 | Low | 72.5 | Confident | 76 Ų | 76 | 87.1 Ų | 87.1 | 78% | 0.784 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.6 | -0.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115 | L66 | L66-G68 PolarHBondContact O-N 3.26Š|
| 69 | R | 81 | Confident | 74.9 | Confident | 154 Ų | 154 | 79.2 Ų | 79.2 | 58% | 0.581 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -95.8 | 139.5 | -179.7 | -78.7 | -174.2 | -172.8 | -144.5 | -1.1 | 110.7 | L66 P71 W74 | L66-R69 PolarHBondContact O-N 3.03Å; R69-P71 VanDerWaalsContact O-CD 3.27Å; R69-P71 WeakPolarHBondContact O-CD 3.45Å; R69-P71 VanDerWaalsContact O-N 3.17Å; R69-W74 PolarHBondContact O-NE1 3.31Å |
| 70 | D | 88.2 | Confident | 76.8 | Confident | 118 Ų | 118 | 70.9 Ų | 70.9 | 63% | 0.631 | 39% | 0.393 | S | S | * | . | trans | -56.5 | 119.3 | 173 | -68.9 | -47.6 | 0 | 0 | 0 | 110.6 | S72 S73 | D70-S72 PolarHBondContact O-N 2.88Å; D70-S73 PolarHBondContact O-N 3Å; D70-S73 PolarHBondContact O-OG 3.3Å | ||
| 71 | P | 90.5 | Very high | 78.8 | Confident | 28 Ų | 28 | 69.4 Ų | 69.4 | 18% | 0.182 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -59.7 | -20.9 | -179 | -26.7 | 36.2 | 0 | 0 | 0 | 113.8 | R69 S73 W74 G104 L108 L136 | R69-P71 VanDerWaalsContact O-CD 3.27Å; R69-P71 WeakPolarHBondContact O-CD 3.45Å; R69-P71 VanDerWaalsContact O-N 3.17Å; P71-S73 PolarHBondContact O-N 3.36Å; P71-W74 HydrophobicContact CB-CD2 4.23Å; P71-W74 HydrophobicContact CB-CE3 4.45Å; P71-W74 HydrophobicContact CB-CZ2 4.42Å; P71-W74 HydrophobicContact CG-CZ2 4.25Å; P71-W74 WeakPolarHBondContact O-CB 3.34Å; P71-W74 PolarHBondContact O-N 3.36Å; P71-G104 CarbonylContact O-C 3.46Å; P71-G104 WeakPolarHBondContact O-CA 3.35Å; P71-L108 HydrophobicContact CB-CD1 4.34Å; P71-L108 HydrophobicContact CB-CD2 4.17Å; P71-L136 HydrophobicContact CB-CD1 4.34Å; P71-L136 HydrophobicContact CB-CD2 4.02Å; P71-L136 HydrophobicContact CB-CG 4.05Å; P71-L136 HydrophobicContact CG-CD1 3.66Å; P71-L136 HydrophobicContact CG-CD2 4.24Å; P71-L136 HydrophobicContact CG-CG 3.74Å |
| 72 | S | 91.3 | Very high | 81 | Confident | 62 Ų | 62 | 59.7 Ų | 59.7 | 43% | 0.434 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -68.2 | -17.6 | 174.9 | 60.4 | 0 | 0 | 0 | 0 | 113.9 | D70 K105 | D70-S72 PolarHBondContact O-N 2.88Å; S72-K105 WeakPolarHBondContact O-CG 3.42Å |
| 73 | S | 92.6 | Very high | 83.2 | Confident | 73 Ų | 73 | 56.1 Ų | 56.1 | 51% | 0.51 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -98.6 | -3.5 | 178.5 | 70.5 | 0 | 0 | 0 | 0 | 113.5 | D70 P71 | D70-S73 PolarHBondContact O-N 3Å; D70-S73 PolarHBondContact O-OG 3.3Å; P71-S73 PolarHBondContact O-N 3.36Å |
| 74 | W | 95.1 | Very high | 85.3 | Confident | 11 Ų | 11 | 58.4 Ų | 58.4 | 4% | 0.042 | 32% | 0.321 | C | S | . | . | trans | -68.3 | 135.2 | -176.5 | -71.1 | 6.5 | 0 | 0 | 0 | 111.7 | L66 R69 P71 D78 V79 F82 G104 L107 L136 | L66-W74 HydrophobicContact CB-CZ2 3.94Å; R69-W74 PolarHBondContact O-NE1 3.31Å; P71-W74 HydrophobicContact CB-CD2 4.23Å; P71-W74 HydrophobicContact CB-CE3 4.45Å; P71-W74 HydrophobicContact CB-CZ2 4.42Å; P71-W74 HydrophobicContact CG-CZ2 4.25Å; P71-W74 WeakPolarHBondContact O-CB 3.34Å; P71-W74 PolarHBondContact O-N 3.36Å; W74-D78 HydrophobicContact CB-CB 3.85Å; W74-D78 HydrophobicContact CD2-CB 4.43Å; W74-D78 HydrophobicContact CG-CB 4.02Å; W74-V79 HydrophobicContact CB-CG2 4.35Å; W74-V79 HydrophobicContact CE3-CG2 4.4Å; W74-F82 HydrophobicContact CE3-CB 4.41Å; W74-F82 HydrophobicContact CH2-CB 4.13Å; W74-F82 AromaticContact CH2-CD2 3.68Å; W74-F82 HydrophobicContact CH2-CD2 3.68Å; W74-F82 HydrophobicContact CH2-CE2 4.3Å; W74-F82 HydrophobicContact CH2-CG 4.04Å; W74-F82 HydrophobicContact CZ3-CB 3.61Å; W74-F82 HydrophobicContact CZ3-CD1 4.25Å; W74-F82 AromaticContact CZ3-CD2 3.72Å; W74-F82 HydrophobicContact CZ3-CD2 3.72Å; W74-F82 HydrophobicContact CZ3-CE2 4.41Å; W74-F82 AromaticContact CZ3-CG 3.6Å; W74-F82 HydrophobicContact CZ3-CG 3.6Å; W74-G104 PolarHBondContact O-N 2.86Å; W74-L107 HydrophobicContact CE3-CD2 4.31Å; W74-L107 HydrophobicContact CZ3-CD2 4.28Å; W74-L136 HydrophobicContact CE3-CD2 4.26Å; W74-L136 HydrophobicContact CH2-CD1 3.41Å; W74-L136 VanDerWaalsContact CH2-CD1 3.41Å; W74-L136 HydrophobicContact CH2-CD2 3.7Å; W74-L136 HydrophobicContact CH2-CG 4.18Å; W74-L136 HydrophobicContact CZ2-CD1 3.97Å; W74-L136 HydrophobicContact CZ3-CD1 4.1Å; W74-L136 HydrophobicContact CZ3-CD2 3.45Å; W74-L136 VanDerWaalsContact CZ3-CD2 3.45Å; W74-L136 HydrophobicContact CZ3-CG 4.4Å | ||
| 75 | T | 96.1 | Very high | 87 | Confident | 76 Ų | 76 | 58.1 Ų | 58.1 | 47% | 0.466 | 31% | 0.312 | S | S | . | . | trans | -79 | 169.9 | 169.7 | 67.6 | 0 | 0 | 0 | 0 | 110.6 | E77 D78 V79 | T75-E77 PolarHBondContact O-N 3.21Å; T75-D78 WeakPolarHBondContact CB-OD2 3.47Å; T75-D78 PolarHBondContact N-OD2 3.17Å; T75-D78 WeakPolarHBondContact O-CB 3.48Å; T75-D78 PolarHBondContact O-N 3.44Å; T75-D78 VanDerWaalsContact O-N 3.13Å; T75-D78 VanDerWaalsContact OG1-CG 3.28Å; T75-D78 PolarHBondContact OG1-N 2.92Å; T75-D78 PolarHBondContact OG1-OD2 2.98Å; T75-V79 WeakPolarHBondContact O-CG2 3.42Å; T75-V79 PolarHBondContact O-N 3.48Å | ||
| 76 | V | 96.3 | Very high | 88.5 | Confident | 37 Ų | 37 | 50.9 Ų | 50.9 | 22% | 0.224 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57 | -36.8 | 174.7 | -179.8 | 0 | 0 | 0 | 0 | 111.7 | V79 M80 R98 D103 | V76-V79 PolarHBondContact O-N 3.41Å; V76-M80 WeakPolarHBondContact O-CG 3.36Å; V76-M80 PolarHBondContact O-N 3.27Å; V76-R98 HydrophobicContact CG1-CB 4.07Å; V76-D103 HydrophobicContact CG2-CB 4.33Å |
| 77 | E | 95.8 | Very high | 89.5 | Confident | 75 Ų | 75 | 51.3 Ų | 51.3 | 35% | 0.35 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -68 | -39.9 | 177.4 | -172.5 | 64 | -137.5 | 0 | 0 | 111.6 | T75 V79 M80 Q81 R84 R98 | T75-E77 PolarHBondContact O-N 3.21Å; E77-V79 VanDerWaalsContact C-N 3.31Å; E77-V79 PolarHBondContact O-N 3.14Å; E77-M80 WeakPolarHBondContact O-CB 3.35Å; E77-M80 PolarHBondContact O-N 3.46Å; E77-Q81 WeakPolarHBondContact O-CB 3.45Å; E77-Q81 PolarHBondContact O-N 3.15Å; E77-R84 IonicContact OE1-NH2 3.9Å; E77-R84 PolarHBondContact OE1-NH2 3.29Å; E77-R98 IonicContact OE2-CZ 3.8Å; E77-R98 VanDerWaalsContact OE2-CZ 3.26Å; E77-R98 IonicContact OE2-NH1 3.26Å; E77-R98 PolarHBondContact OE2-NH1 3.01Å; E77-R98 IonicContact OE2-NH2 2.59Å; E77-R98 PolarHBondContact OE2-NH2 3.42Å |
| 78 | D | 94.8 | Very high | 90.7 | Very high | 39 Ų | 39 | 53.5 Ų | 53.5 | 21% | 0.209 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.9 | -39.9 | 176.3 | -58.9 | -50.5 | 0 | 0 | 0 | 110.9 | L66 W74 T75 Q81 F82 | L66-D78 HydrophobicContact CD1-CB 4.32Å; L66-D78 HydrophobicContact CD2-CB 3.95Å; W74-D78 HydrophobicContact CB-CB 3.85Å; W74-D78 HydrophobicContact CD2-CB 4.43Å; W74-D78 HydrophobicContact CG-CB 4.02Å; T75-D78 WeakPolarHBondContact CB-OD2 3.47Å; T75-D78 PolarHBondContact N-OD2 3.17Å; T75-D78 WeakPolarHBondContact O-CB 3.48Å; T75-D78 PolarHBondContact O-N 3.44Å; T75-D78 VanDerWaalsContact O-N 3.13Å; T75-D78 VanDerWaalsContact OG1-CG 3.28Å; T75-D78 PolarHBondContact OG1-N 2.92Å; T75-D78 PolarHBondContact OG1-OD2 2.98Å; D78-Q81 PolarHBondContact O-N 3.33Å; D78-F82 WeakPolarHBondContact O-CB 3.49Å; D78-F82 PolarHBondContact O-N 2.95Å |
| 79 | V | 95.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63 | -44.9 | 174.2 | 174.5 | 0 | 0 | 0 | 0 | 111 | W74 T75 V76 E77 Q81 F82 V83 F97 I102 L107 | W74-V79 HydrophobicContact CB-CG2 4.35Å; W74-V79 HydrophobicContact CE3-CG2 4.4Å; T75-V79 WeakPolarHBondContact O-CG2 3.42Å; T75-V79 PolarHBondContact O-N 3.48Å; V76-V79 PolarHBondContact O-N 3.41Å; E77-V79 VanDerWaalsContact C-N 3.31Å; E77-V79 PolarHBondContact O-N 3.14Å; V79-Q81 VanDerWaalsContact C-N 3.3Å; V79-Q81 PolarHBondContact O-N 3.48Å; V79-F82 WeakPolarHBondContact O-CB 3.28Å; V79-F82 PolarHBondContact O-N 3.44Å; V79-V83 VanDerWaalsContact O-CG2 3.29Å; V79-V83 WeakPolarHBondContact O-CG2 3.46Å; V79-V83 PolarHBondContact O-N 3.31Å; V79-F97 HydrophobicContact CG1-CB 4.3Å; V79-F97 HydrophobicContact CG1-CD1 3.46Å; V79-F97 VanDerWaalsContact CG1-CD1 3.46Å; V79-F97 HydrophobicContact CG1-CE1 4Å; V79-F97 HydrophobicContact CG1-CG 4.1Å; V79-I102 HydrophobicContact CG1-CG2 4.45Å; V79-L107 HydrophobicContact CG1-CD1 3.93Å; V79-L107 HydrophobicContact CG1-CD2 4.01Å; V79-L107 HydrophobicContact CG1-CG 4.37Å; V79-L107 HydrophobicContact CG2-CB 4.33Å; V79-L107 HydrophobicContact CG2-CD2 4.1Å |
| 80 | M | 94.9 | Very high | 92.2 | Very high | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.02 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.1 | -38.9 | 176.1 | -72.5 | -179.1 | 62.8 | 0 | 0 | 112.5 | V76 E77 V83 R84 A94 D95 F97 R98 | V76-M80 WeakPolarHBondContact O-CG 3.36Å; V76-M80 PolarHBondContact O-N 3.27Å; E77-M80 WeakPolarHBondContact O-CB 3.35Å; E77-M80 PolarHBondContact O-N 3.46Å; M80-V83 PolarHBondContact O-N 2.8Å; M80-R84 WeakPolarHBondContact O-CG 3.29Å; M80-R84 PolarHBondContact O-N 3.31Å; M80-R84 VanDerWaalsContact O-N 3.15Å; M80-R84 PolarHBondContact O-NE 3.11Å; M80-R84 VanDerWaalsContact O-NE 3.14Å; M80-A94 HydrophobicContact CB-CB 4.36Å; M80-A94 HydrophobicContact CE-CB 4.29Å; M80-A94 WeakPolarHBondContact CG-O 3.32Å; M80-D95 VanDerWaalsContact CE-OD1 3.25Å; M80-D95 WeakPolarHBondContact CE-OD1 3.5Å; M80-F97 HydrophobicContact CG-CB 4.18Å; M80-R98 HydrophobicContact CE-CB 4.46Å; M80-R98 HydrophobicContact SD-CB 3.45Å; M80-R98 WeakPolarHBondContact SD-CB 3.28Å; M80-R98 HydrophobicContact SD-CG 4.47Å; M80-R98 PolarHBondContact SD-NH1 3.34Å |
| 81 | Q | 93.5 | Very high | 92.3 | Very high | 52 Ų | 52 | 44.3 Ų | 44.3 | 24% | 0.243 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.5 | -49.3 | 175.3 | -171.9 | 64.8 | 17.4 | 0 | 0 | 110.3 | L66 E77 D78 V79 V83 R84 E85 | L66-Q81 HydrophobicContact CD1-CB 4.1Å; L66-Q81 HydrophobicContact CD1-CG 4.15Å; E77-Q81 WeakPolarHBondContact O-CB 3.45Å; E77-Q81 PolarHBondContact O-N 3.15Å; D78-Q81 PolarHBondContact O-N 3.33Å; V79-Q81 VanDerWaalsContact C-N 3.3Å; V79-Q81 PolarHBondContact O-N 3.48Å; Q81-V83 VanDerWaalsContact C-N 3.3Å; Q81-V83 PolarHBondContact O-N 3.36Å; Q81-R84 PolarHBondContact O-N 3.17Å; Q81-R84 VanDerWaalsContact O-N 3.17Å; Q81-R84 VanDerWaalsContact OE1-CZ 3.23Å; Q81-R84 VanDerWaalsContact OE1-NH2 3.1Å; Q81-E85 HydrophobicContact CG-CG 4.43Å; Q81-E85 WeakPolarHBondContact CG-OE1 3.08Å; Q81-E85 PolarHBondContact NE2-OE1 3.29Å; Q81-E85 WeakPolarHBondContact O-CB 3.28Å; Q81-E85 WeakPolarHBondContact O-CG 3.29Å; Q81-E85 PolarHBondContact O-N 2.96Å |
| 82 | F | 93.2 | Very high | 92.4 | Very high | 10 Ų | 10 | 47.9 Ų | 47.9 | 4% | 0.044 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -53.4 | -45.2 | 174.7 | 166 | -98 | 0 | 0 | 0 | 112.4 | W74 D78 V79 E85 A86 L107 H132 L136 F141 | W74-F82 HydrophobicContact CE3-CB 4.41Å; W74-F82 HydrophobicContact CH2-CB 4.13Å; W74-F82 AromaticContact CH2-CD2 3.68Å; W74-F82 HydrophobicContact CH2-CD2 3.68Å; W74-F82 HydrophobicContact CH2-CE2 4.3Å; W74-F82 HydrophobicContact CH2-CG 4.04Å; W74-F82 HydrophobicContact CZ3-CB 3.61Å; W74-F82 HydrophobicContact CZ3-CD1 4.25Å; W74-F82 AromaticContact CZ3-CD2 3.72Å; W74-F82 HydrophobicContact CZ3-CD2 3.72Å; W74-F82 HydrophobicContact CZ3-CE2 4.41Å; W74-F82 AromaticContact CZ3-CG 3.6Å; W74-F82 HydrophobicContact CZ3-CG 3.6Å; D78-F82 WeakPolarHBondContact O-CB 3.49Å; D78-F82 PolarHBondContact O-N 2.95Å; V79-F82 WeakPolarHBondContact O-CB 3.28Å; V79-F82 PolarHBondContact O-N 3.44Å; F82-E85 PolarHBondContact O-N 3.14Å; F82-A86 WeakPolarHBondContact O-CB 3.4Å; F82-A86 PolarHBondContact O-N 3.15Å; F82-L107 HydrophobicContact CD1-CD2 4.2Å; F82-L107 HydrophobicContact CE1-CD2 4.32Å; F82-H132 HydrophobicContact CE1-CB 4.32Å; F82-H132 HydrophobicContact CZ-CB 3.87Å; F82-L136 HydrophobicContact CE1-CD2 4.34Å; F82-L136 HydrophobicContact CE2-CB 4.41Å; F82-L136 HydrophobicContact CE2-CD1 4.15Å; F82-L136 HydrophobicContact CE2-CD2 4.05Å; F82-L136 HydrophobicContact CE2-CG 4.44Å; F82-L136 HydrophobicContact CZ-CB 4.26Å; F82-L136 HydrophobicContact CZ-CD2 3.97Å; F82-F141 HydrophobicContact CD2-CE1 4.33Å; F82-F141 HydrophobicContact CE2-CD1 4.03Å; F82-F141 AromaticContact CE2-CE1 3.41Å; F82-F141 HydrophobicContact CE2-CE1 3.41Å; F82-F141 VanDerWaalsContact CE2-CE1 3.41Å; F82-F141 HydrophobicContact CE2-CE2 4.12Å; F82-F141 AromaticContact CE2-CZ 3.44Å; F82-F141 HydrophobicContact CE2-CZ 3.44Å; F82-F141 VanDerWaalsContact CE2-CZ 3.44Å; F82-F141 HydrophobicContact CZ-CE1 4.13Å; F82-F141 HydrophobicContact CZ-CE2 4.36Å; F82-F141 AromaticContact CZ-CZ 3.72Å; F82-F141 HydrophobicContact CZ-CZ 3.72Å |
| 83 | V | 93.2 | Very high | 92.5 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.006 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.8 | -41.9 | -179.6 | 173.4 | 0 | 0 | 0 | 0 | 111.8 | V79 M80 Q81 E85 L90 A94 F97 L129 | V79-V83 VanDerWaalsContact O-CG2 3.29Å; V79-V83 WeakPolarHBondContact O-CG2 3.46Å; V79-V83 PolarHBondContact O-N 3.31Å; M80-V83 PolarHBondContact O-N 2.8Å; Q81-V83 VanDerWaalsContact C-N 3.3Å; Q81-V83 PolarHBondContact O-N 3.36Å; V83-E85 VanDerWaalsContact C-N 3.34Å; V83-L90 HydrophobicContact CG1-CB 3.82Å; V83-A94 HydrophobicContact CG1-CB 4.41Å; V83-F97 HydrophobicContact CB-CE2 4.42Å; V83-F97 HydrophobicContact CG1-CE2 4.06Å; V83-F97 HydrophobicContact CG2-CD1 4.5Å; V83-F97 HydrophobicContact CG2-CD2 4.11Å; V83-F97 HydrophobicContact CG2-CE1 4.09Å; V83-F97 HydrophobicContact CG2-CE2 3.65Å; V83-F97 HydrophobicContact CG2-CG 4.49Å; V83-F97 HydrophobicContact CG2-CZ 3.59Å; V83-L129 HydrophobicContact CG2-CD1 3.97Å |
| 84 | R | 92 | Very high | 92.6 | Very high | 92 Ų | 92 | 44.4 Ų | 44.4 | 35% | 0.347 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.5 | -39.1 | 177.1 | -75.7 | 177.9 | -76.9 | 176.4 | -8.7 | 112.1 | E77 M80 Q81 A94 | E77-R84 IonicContact OE1-NH2 3.9Å; E77-R84 PolarHBondContact OE1-NH2 3.29Å; M80-R84 WeakPolarHBondContact O-CG 3.29Å; M80-R84 PolarHBondContact O-N 3.31Å; M80-R84 VanDerWaalsContact O-N 3.15Å; M80-R84 PolarHBondContact O-NE 3.11Å; M80-R84 VanDerWaalsContact O-NE 3.14Å; Q81-R84 PolarHBondContact O-N 3.17Å; Q81-R84 VanDerWaalsContact O-N 3.17Å; Q81-R84 VanDerWaalsContact OE1-CZ 3.23Å; Q81-R84 VanDerWaalsContact OE1-NH2 3.1Å; R84-A94 HydrophobicContact CG-CB 3.84Å |
| 85 | E | 88.4 | Confident | 92.5 | Very high | 71 Ų | 71 | 48.9 Ų | 48.9 | 33% | 0.332 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -80.7 | -34.5 | -177.9 | -69.4 | 178.1 | 169.7 | 0 | 0 | 113 | A63 Q81 F82 V83 D87 | A63-E85 VanDerWaalsContact CA-OE2 3.28Å; A63-E85 WeakPolarHBondContact CA-OE2 3.46Å; A63-E85 PolarHBondContact N-OE1 2.97Å; Q81-E85 HydrophobicContact CG-CG 4.43Å; Q81-E85 WeakPolarHBondContact CG-OE1 3.08Å; Q81-E85 PolarHBondContact NE2-OE1 3.29Å; Q81-E85 WeakPolarHBondContact O-CB 3.28Å; Q81-E85 WeakPolarHBondContact O-CG 3.29Å; Q81-E85 PolarHBondContact O-N 2.96Å; F82-E85 PolarHBondContact O-N 3.14Å; V83-E85 VanDerWaalsContact C-N 3.34Å; E85-D87 PolarHBondContact O-N 3.32Å |
| 86 | A | 89.4 | Confident | 92.5 | Very high | 11 Ų | 11 | 47.2 Ų | 47.2 | 9% | 0.091 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.6 | -45.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112 | F82 H132 | F82-A86 WeakPolarHBondContact O-CB 3.4Å; F82-A86 PolarHBondContact O-N 3.15Å; A86-H132 HydrophobicContact CB-CB 4.07Å; A86-H132 PolarHBondContact O-CE1 3.43Å; A86-H132 PolarHBondContact O-NE2 3.38Å |
| 87 | D | 87.5 | Confident | 92.5 | Very high | 24 Ų | 24 | 45.5 Ų | 45.5 | 13% | 0.128 | 24% | 0.241 | C | C | . | . | trans | -152.6 | 120.9 | 175 | -175.6 | -22.2 | 0 | 0 | 0 | 109.5 | E85 Q89 L90 K128 | E85-D87 PolarHBondContact O-N 3.32Å; D87-Q89 PolarHBondContact O-N 3.35Å; D87-Q89 VanDerWaalsContact O-N 3.07Å; D87-Q89 VanDerWaalsContact OD1-CB 3.29Å; D87-Q89 WeakPolarHBondContact OD1-CB 3.34Å; D87-Q89 PolarHBondContact OD1-N 3.44Å; D87-L90 HydrophobicContact CB-CB 4.37Å; D87-L90 HydrophobicContact CB-CD1 3.98Å; D87-L90 HydrophobicContact CB-CG 3.92Å; D87-L90 WeakPolarHBondContact O-CA 3.48Å; D87-L90 WeakPolarHBondContact O-CB 3.48Å; D87-L90 PolarHBondContact O-N 3.44Å; D87-K128 WeakPolarHBondContact OD2-CD 3.24Å; D87-K128 IonicContact OD2-NZ 3.17Å; D87-K128 PolarHBondContact OD2-NZ 2.9Å | ||
| 88 | P | 88.6 | Confident | 92.5 | Very high | 109 Ų | 109 | 47.9 Ų | 47.9 | 71% | 0.708 | 25% | 0.247 | S | C | * | . | G | 310 helix | trans | -54.4 | -29.2 | 176.5 | -26.5 | 34.2 | 0 | 0 | 0 | 114 | L90 G91 | P88-L90 VanDerWaalsContact C-N 3.25Å; P88-L90 PolarHBondContact O-N 3.22Å; P88-G91 PolarHBondContact O-N 2.81Å |
| 89 | Q | 88.9 | Confident | 92.6 | Very high | 132 Ų | 132 | 53.8 Ų | 53.8 | 62% | 0.617 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -72.1 | -18.2 | 176.9 | -57.9 | -169 | -81.9 | 0 | 0 | 113.1 | D87 | D87-Q89 PolarHBondContact O-N 3.35Å; D87-Q89 VanDerWaalsContact O-N 3.07Å; D87-Q89 VanDerWaalsContact OD1-CB 3.29Å; D87-Q89 WeakPolarHBondContact OD1-CB 3.34Å; D87-Q89 PolarHBondContact OD1-N 3.44Å |
| 90 | L | 90.1 | Very high | 92.6 | Very high | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -87.1 | -13 | 172.6 | -63.4 | 179.6 | 0 | 0 | 0 | 112.5 | V83 D87 P88 H93 A94 P125 K128 L129 | V83-L90 HydrophobicContact CG1-CB 3.82Å; D87-L90 HydrophobicContact CB-CB 4.37Å; D87-L90 HydrophobicContact CB-CD1 3.98Å; D87-L90 HydrophobicContact CB-CG 3.92Å; D87-L90 WeakPolarHBondContact O-CA 3.48Å; D87-L90 WeakPolarHBondContact O-CB 3.48Å; D87-L90 PolarHBondContact O-N 3.44Å; P88-L90 VanDerWaalsContact C-N 3.25Å; P88-L90 PolarHBondContact O-N 3.22Å; L90-H93 WeakPolarHBondContact O-CA 2.83Å; L90-H93 WeakPolarHBondContact O-CB 3.41Å; L90-H93 PolarHBondContact O-N 3.42Å; L90-A94 PolarHBondContact O-N 3.29Å; L90-P125 HydrophobicContact CD2-CB 3.82Å; L90-K128 HydrophobicContact CD1-CB 4.15Å; L90-K128 HydrophobicContact CD2-CB 4.29Å; L90-L129 HydrophobicContact CD1-CB 4.07Å; L90-L129 HydrophobicContact CD1-CD1 4.23Å |
| 91 | G | 90.5 | Very high | 92.7 | Very high | 21 Ų | 21 | 64.6 Ų | 64.6 | 22% | 0.216 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -49.9 | -46.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | P88 H93 A94 | P88-G91 PolarHBondContact O-N 2.81Å; G91-H93 PolarHBondContact O-N 2.89Å; G91-H93 VanDerWaalsContact O-N 3.08Å; G91-A94 VanDerWaalsContact O-CB 3.28Å; G91-A94 WeakPolarHBondContact O-CB 3.29Å; G91-A94 PolarHBondContact O-N 3.36Å |
| 92 | P | 93.2 | Very high | 92.9 | Very high | 103 Ų | 103 | 63.1 Ų | 63.1 | 67% | 0.669 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -62.5 | -15.8 | 176.4 | -23.9 | 34.7 | 0 | 0 | 0 | 114.7 | ||
| 93 | H | 93.1 | Very high | 93 | Very high | 61 Ų | 61 | 65.5 Ų | 65.5 | 28% | 0.282 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -97 | -4.7 | 178.8 | -60.9 | -56.2 | 0 | 0 | 0 | 112.9 | L90 G91 D95 L96 L121 | L90-H93 WeakPolarHBondContact O-CA 2.83Å; L90-H93 WeakPolarHBondContact O-CB 3.41Å; L90-H93 PolarHBondContact O-N 3.42Å; G91-H93 PolarHBondContact O-N 2.89Å; G91-H93 VanDerWaalsContact O-N 3.08Å; H93-D95 VanDerWaalsContact C-N 3.3Å; H93-D95 PolarHBondContact O-N 3.2Å; H93-L96 HydrophobicContact CB-CD1 4.14Å; H93-L96 VanDerWaalsContact O-CB 3.29Å; H93-L96 WeakPolarHBondContact O-CB 3.21Å; H93-L96 PolarHBondContact O-N 3.06Å; H93-L96 VanDerWaalsContact O-N 3.15Å; H93-L121 HydrophobicContact CB-CD2 3.95Å |
| 94 | A | 93.7 | Very high | 93.1 | Very high | 2 Ų | 2 | 65.4 Ų | 65.4 | 2% | 0.017 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.7 | -37.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | M80 V83 R84 L90 G91 L96 F97 | M80-A94 HydrophobicContact CB-CB 4.36Å; M80-A94 HydrophobicContact CE-CB 4.29Å; M80-A94 WeakPolarHBondContact CG-O 3.32Å; V83-A94 HydrophobicContact CG1-CB 4.41Å; R84-A94 HydrophobicContact CG-CB 3.84Å; L90-A94 PolarHBondContact O-N 3.29Å; G91-A94 VanDerWaalsContact O-CB 3.28Å; G91-A94 WeakPolarHBondContact O-CB 3.29Å; G91-A94 PolarHBondContact O-N 3.36Å; A94-L96 PolarHBondContact O-N 3.47Å; A94-L96 VanDerWaalsContact O-N 3.11Å; A94-F97 WeakPolarHBondContact O-CB 3.29Å; A94-F97 PolarHBondContact O-N 3.07Å |
| 95 | D | 95 | Very high | 93.3 | Very high | 105 Ų | 105 | 67.5 Ų | 67.5 | 56% | 0.561 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -63 | -21.3 | 179.9 | -64.2 | -40.3 | 0 | 0 | 0 | 113.5 | M80 H93 F97 R98 K99 | M80-D95 VanDerWaalsContact CE-OD1 3.25Å; M80-D95 WeakPolarHBondContact CE-OD1 3.5Å; H93-D95 VanDerWaalsContact C-N 3.3Å; H93-D95 PolarHBondContact O-N 3.2Å; D95-F97 VanDerWaalsContact C-N 3.25Å; D95-F97 PolarHBondContact O-N 3.14Å; D95-R98 PolarHBondContact O-N 3.49Å; D95-K99 PolarHBondContact O-N 3.39Å |
| 96 | L | 95.5 | Very high | 93.6 | Very high | 40 Ų | 40 | 65.7 Ų | 65.7 | 21% | 0.209 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.7 | -35.7 | 172.9 | -63.2 | 171 | 0 | 0 | 0 | 111.1 | H93 A94 R98 K99 H100 M119 L121 | H93-L96 HydrophobicContact CB-CD1 4.14Å; H93-L96 VanDerWaalsContact O-CB 3.29Å; H93-L96 WeakPolarHBondContact O-CB 3.21Å; H93-L96 PolarHBondContact O-N 3.06Å; H93-L96 VanDerWaalsContact O-N 3.15Å; A94-L96 PolarHBondContact O-N 3.47Å; A94-L96 VanDerWaalsContact O-N 3.11Å; L96-R98 VanDerWaalsContact C-N 3.32Å; L96-R98 PolarHBondContact O-N 3.38Å; L96-K99 PolarHBondContact O-N 2.86Å; L96-H100 WeakPolarHBondContact O-CB 3.2Å; L96-H100 PolarHBondContact O-CD2 3.1Å; L96-H100 PolarHBondContact O-N 3.29Å; L96-M119 HydrophobicContact CB-CE 3.84Å; L96-L121 HydrophobicContact CD1-CD2 3.76Å; L96-L121 HydrophobicContact CD1-CG 4.3Å |
| 97 | F | 96.1 | Very high | 94 | Very high | 1 Ų | 1 | 65.1 Ų | 65.1 | 0% | 0.004 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.8 | -36.4 | 178.8 | -70.9 | -101.2 | 0 | 0 | 0 | 111.8 | V79 M80 V83 A94 D95 E101 I102 L107 L110 M119 L129 | V79-F97 HydrophobicContact CG1-CB 4.3Å; V79-F97 HydrophobicContact CG1-CD1 3.46Å; V79-F97 VanDerWaalsContact CG1-CD1 3.46Å; V79-F97 HydrophobicContact CG1-CE1 4Å; V79-F97 HydrophobicContact CG1-CG 4.1Å; M80-F97 HydrophobicContact CG-CB 4.18Å; V83-F97 HydrophobicContact CB-CE2 4.42Å; V83-F97 HydrophobicContact CG1-CE2 4.06Å; V83-F97 HydrophobicContact CG2-CD1 4.5Å; V83-F97 HydrophobicContact CG2-CD2 4.11Å; V83-F97 HydrophobicContact CG2-CE1 4.09Å; V83-F97 HydrophobicContact CG2-CE2 3.65Å; V83-F97 HydrophobicContact CG2-CG 4.49Å; V83-F97 HydrophobicContact CG2-CZ 3.59Å; A94-F97 WeakPolarHBondContact O-CB 3.29Å; A94-F97 PolarHBondContact O-N 3.07Å; D95-F97 VanDerWaalsContact C-N 3.25Å; D95-F97 PolarHBondContact O-N 3.14Å; F97-E101 PolarHBondContact O-N 3.39Å; F97-I102 HydrophobicContact CB-CB 4.21Å; F97-I102 HydrophobicContact CD1-CB 3.71Å; F97-I102 HydrophobicContact CD1-CG1 4.03Å; F97-I102 HydrophobicContact CD1-CG2 3.69Å; F97-I102 HydrophobicContact CE1-CG2 4.21Å; F97-I102 HydrophobicContact CG-CB 4.41Å; F97-I102 PolarHBondContact O-N 2.88Å; F97-L107 HydrophobicContact CD1-CD1 4.38Å; F97-L107 HydrophobicContact CE1-CD1 3.7Å; F97-L110 HydrophobicContact CE1-CD2 3.87Å; F97-L110 HydrophobicContact CZ-CD2 4.45Å; F97-M119 HydrophobicContact CD1-CE 4.35Å; F97-M119 HydrophobicContact CD2-CE 4.04Å; F97-M119 HydrophobicContact CE1-CE 4.37Å; F97-M119 HydrophobicContact CE2-CE 4.07Å; F97-M119 HydrophobicContact CG-CE 4.21Å; F97-M119 HydrophobicContact CZ-CE 4.27Å; F97-L129 HydrophobicContact CE1-CD2 4.44Å; F97-L129 HydrophobicContact CE2-CD2 3.95Å; F97-L129 HydrophobicContact CZ-CD1 3.87Å; F97-L129 HydrophobicContact CZ-CD2 3.38Å; F97-L129 HydrophobicContact CZ-CG 4.13Å |
| 98 | R | 96 | Very high | 94.3 | Very high | 125 Ų | 125 | 66.1 Ų | 66.1 | 47% | 0.472 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -67.1 | -44.8 | 171 | 165.4 | 173.6 | -85.8 | 134.8 | -4.7 | 112.4 | V76 E77 M80 D95 L96 H100 E101 | V76-R98 HydrophobicContact CG1-CB 4.07Å; E77-R98 IonicContact OE2-CZ 3.8Å; E77-R98 VanDerWaalsContact OE2-CZ 3.26Å; E77-R98 IonicContact OE2-NH1 3.26Å; E77-R98 PolarHBondContact OE2-NH1 3.01Å; E77-R98 IonicContact OE2-NH2 2.59Å; E77-R98 PolarHBondContact OE2-NH2 3.42Å; M80-R98 HydrophobicContact CE-CB 4.46Å; M80-R98 HydrophobicContact SD-CB 3.45Å; M80-R98 WeakPolarHBondContact SD-CB 3.28Å; M80-R98 HydrophobicContact SD-CG 4.47Å; M80-R98 PolarHBondContact SD-NH1 3.34Å; D95-R98 PolarHBondContact O-N 3.49Å; L96-R98 VanDerWaalsContact C-N 3.32Å; L96-R98 PolarHBondContact O-N 3.38Å; R98-H100 VanDerWaalsContact C-N 3.26Å; R98-H100 PolarHBondContact O-N 3.08Å; R98-E101 PolarHBondContact O-N 3.44Å; R98-E101 VanDerWaalsContact O-N 3.14Å |
| 99 | K | 96.1 | Very high | 94.6 | Very high | 163 Ų | 163 | 67.7 Ų | 67.7 | 71% | 0.709 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -60.5 | -36.8 | 178 | -176.3 | 178.8 | 179.1 | -179.2 | 0 | 112.8 | D95 L96 | D95-K99 PolarHBondContact O-N 3.39Å; L96-K99 PolarHBondContact O-N 2.86Å |
| 100 | H | 96.9 | Very high | 94.9 | Very high | 72 Ų | 72 | 62.4 Ų | 62.4 | 33% | 0.333 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 7.1 | 179.8 | -70.4 | -74.8 | 0 | 0 | 0 | 113.3 | L96 R98 I102 Y118 | L96-H100 WeakPolarHBondContact O-CB 3.2Å; L96-H100 PolarHBondContact O-CD2 3.1Å; L96-H100 PolarHBondContact O-N 3.29Å; R98-H100 VanDerWaalsContact C-N 3.26Å; R98-H100 PolarHBondContact O-N 3.08Å; H100-I102 HydrophobicContact CB-CD1 3.89Å; H100-I102 HydrophobicContact CB-CG1 3.8Å; H100-I102 PolarHBondContact O-N 3.08Å; H100-Y118 PolarHBondContact CE1-O 3.46Å; H100-Y118 PolarHBondContact NE2-O 3.45Å |
| 101 | E | 96.3 | Very high | 95.1 | Very high | 160 Ų | 160 | 68.8 Ų | 68.8 | 75% | 0.748 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 41.6 | 179.4 | -56.8 | -174.3 | 114.5 | 0 | 0 | 113 | F97 R98 D103 | F97-E101 PolarHBondContact O-N 3.39Å; R98-E101 PolarHBondContact O-N 3.44Å; R98-E101 VanDerWaalsContact O-N 3.14Å; E101-D103 PolarHBondContact O-N 3.06Å; E101-D103 VanDerWaalsContact O-N 3.14Å |
| 102 | I | 97.3 | Very high | 95.3 | Very high | 20 Ų | 20 | 69.7 Ų | 69.7 | 10% | 0.103 | 34% | 0.342 | C | S | . | . | trans | -78.4 | 101.6 | -179.3 | -52.3 | -60.8 | 0 | 0 | 0 | 108.9 | V79 F97 H100 A106 L107 | V79-I102 HydrophobicContact CG1-CG2 4.45Å; F97-I102 HydrophobicContact CB-CB 4.21Å; F97-I102 HydrophobicContact CD1-CB 3.71Å; F97-I102 HydrophobicContact CD1-CG1 4.03Å; F97-I102 HydrophobicContact CD1-CG2 3.69Å; F97-I102 HydrophobicContact CE1-CG2 4.21Å; F97-I102 HydrophobicContact CG-CB 4.41Å; F97-I102 PolarHBondContact O-N 2.88Å; H100-I102 HydrophobicContact CB-CD1 3.89Å; H100-I102 HydrophobicContact CB-CG1 3.8Å; H100-I102 PolarHBondContact O-N 3.08Å; I102-A106 HydrophobicContact CG2-CB 4.07Å; I102-L107 HydrophobicContact CG2-CB 4.16Å; I102-L107 HydrophobicContact CG2-CD1 4.43Å | ||
| 103 | D | 95.9 | Very high | 95.4 | Very high | 60 Ų | 60 | 69.3 Ų | 69.3 | 32% | 0.321 | 33% | 0.334 | S | S | . | . | trans | -84.2 | 179.4 | 169.8 | 74.1 | -3.7 | 0 | 0 | 0 | 111.8 | V76 E101 K105 A106 L107 | V76-D103 HydrophobicContact CG2-CB 4.33Å; E101-D103 PolarHBondContact O-N 3.06Å; E101-D103 VanDerWaalsContact O-N 3.14Å; D103-K105 VanDerWaalsContact C-N 3.29Å; D103-K105 PolarHBondContact O-N 3.04Å; D103-K105 PolarHBondContact OD1-N 3.21Å; D103-A106 PolarHBondContact O-N 2.76Å; D103-A106 WeakPolarHBondContact OD1-CB 3.49Å; D103-A106 PolarHBondContact OD1-N 3.41Å; D103-L107 WeakPolarHBondContact O-CB 3.05Å; D103-L107 PolarHBondContact O-N 3.39Å | ||
| 104 | G | 95.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58.2 | -38.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | P71 W74 L107 L108 | P71-G104 CarbonylContact O-C 3.46Å; P71-G104 WeakPolarHBondContact O-CA 3.35Å; W74-G104 PolarHBondContact O-N 2.86Å; G104-L107 PolarHBondContact O-N 2.9Å; G104-L108 VanDerWaalsContact O-CG 3.29Å; G104-L108 WeakPolarHBondContact O-CG 3.43Å; G104-L108 PolarHBondContact O-N 3.43Å; G104-L108 VanDerWaalsContact O-N 3.17Å |
| 105 | K | 94.9 | Very high | 95.7 | Very high | 135 Ų | 135 | 69.8 Ų | 69.8 | 59% | 0.587 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -68.6 | -45.2 | 179 | -65 | 176.6 | -176 | 169.8 | 0 | 111.1 | S72 D103 L107 L108 L109 | S72-K105 WeakPolarHBondContact O-CG 3.42Å; D103-K105 VanDerWaalsContact C-N 3.29Å; D103-K105 PolarHBondContact O-N 3.04Å; D103-K105 PolarHBondContact OD1-N 3.21Å; K105-L107 VanDerWaalsContact C-N 3.33Å; K105-L108 PolarHBondContact O-N 3.5Å; K105-L109 PolarHBondContact O-N 3.08Å |
| 106 | A | 96.4 | Very high | 95.8 | Very high | 33 Ų | 33 | 68.3 Ų | 68.3 | 27% | 0.273 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.2 | -40.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | I102 D103 L108 L109 L110 | I102-A106 HydrophobicContact CG2-CB 4.07Å; D103-A106 PolarHBondContact O-N 2.76Å; D103-A106 WeakPolarHBondContact OD1-CB 3.49Å; D103-A106 PolarHBondContact OD1-N 3.41Å; A106-L108 VanDerWaalsContact C-N 3.29Å; A106-L108 PolarHBondContact O-N 3.07Å; A106-L109 CarbonylContact O-C 3.57Å; A106-L109 PolarHBondContact O-N 3.45Å; A106-L110 PolarHBondContact O-N 2.75Å |
| 107 | L | 96.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -57.8 | -42.4 | 176.3 | -174.9 | 70.2 | 0 | 0 | 0 | 111.6 | W74 V79 F82 F97 I102 D103 G104 K105 L109 L110 I133 L136 | W74-L107 HydrophobicContact CE3-CD2 4.31Å; W74-L107 HydrophobicContact CZ3-CD2 4.28Å; V79-L107 HydrophobicContact CG1-CD1 3.93Å; V79-L107 HydrophobicContact CG1-CD2 4.01Å; V79-L107 HydrophobicContact CG1-CG 4.37Å; V79-L107 HydrophobicContact CG2-CB 4.33Å; V79-L107 HydrophobicContact CG2-CD2 4.1Å; F82-L107 HydrophobicContact CD1-CD2 4.2Å; F82-L107 HydrophobicContact CE1-CD2 4.32Å; F97-L107 HydrophobicContact CD1-CD1 4.38Å; F97-L107 HydrophobicContact CE1-CD1 3.7Å; I102-L107 HydrophobicContact CG2-CB 4.16Å; I102-L107 HydrophobicContact CG2-CD1 4.43Å; D103-L107 WeakPolarHBondContact O-CB 3.05Å; D103-L107 PolarHBondContact O-N 3.39Å; G104-L107 PolarHBondContact O-N 2.9Å; K105-L107 VanDerWaalsContact C-N 3.33Å; L107-L109 PolarHBondContact O-N 3.33Å; L107-L110 HydrophobicContact CD1-CD2 4.24Å; L107-L110 WeakPolarHBondContact O-CB 3.5Å; L107-L110 PolarHBondContact O-N 2.91Å; L107-I133 HydrophobicContact CD1-CD1 3.7Å; L107-I133 HydrophobicContact CD1-CG1 3.85Å; L107-I133 HydrophobicContact CG-CD1 4.42Å; L107-I133 HydrophobicContact CG-CG1 4.2Å; L107-L136 HydrophobicContact CD2-CD2 3.82Å |
| 108 | L | 93.7 | Very high | 95.7 | Very high | 45 Ų | 45 | 80 Ų | 80 | 24% | 0.236 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -67.4 | -20.9 | 177.5 | -64.7 | 171.6 | 0 | 0 | 0 | 112.8 | P71 G104 K105 A106 K137 | P71-L108 HydrophobicContact CB-CD1 4.34Å; P71-L108 HydrophobicContact CB-CD2 4.17Å; G104-L108 VanDerWaalsContact O-CG 3.29Å; G104-L108 WeakPolarHBondContact O-CG 3.43Å; G104-L108 PolarHBondContact O-N 3.43Å; G104-L108 VanDerWaalsContact O-N 3.17Å; K105-L108 PolarHBondContact O-N 3.5Å; A106-L108 VanDerWaalsContact C-N 3.29Å; A106-L108 PolarHBondContact O-N 3.07Å; L108-K137 HydrophobicContact CD2-CG 3.65Å; L108-K137 WeakPolarHBondContact O-CE 3.19Å; L108-K137 PolarHBondContact O-NZ 3.09Å |
| 109 | L | 94.8 | Very high | 95.7 | Very high | 141 Ų | 141 | 74.7 Ų | 74.7 | 74% | 0.738 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -100.1 | -7.2 | 176.1 | -61.8 | 176.1 | 0 | 0 | 0 | 113.1 | K105 A106 L107 R111 | K105-L109 PolarHBondContact O-N 3.08Å; A106-L109 CarbonylContact O-C 3.57Å; A106-L109 PolarHBondContact O-N 3.45Å; L107-L109 PolarHBondContact O-N 3.33Å; L109-R111 PolarHBondContact O-N 3.33Å |
| 110 | L | 95.5 | Very high | 95.6 | Very high | 22 Ų | 22 | 70 Ų | 70 | 12% | 0.115 | 35% | 0.353 | C | S | . | . | trans | -65.7 | 124.8 | -174.4 | -169.1 | 62.9 | 0 | 0 | 0 | 110.5 | F97 A106 L107 M114 M115 M119 I133 | F97-L110 HydrophobicContact CE1-CD2 3.87Å; F97-L110 HydrophobicContact CZ-CD2 4.45Å; A106-L110 PolarHBondContact O-N 2.75Å; L107-L110 HydrophobicContact CD1-CD2 4.24Å; L107-L110 WeakPolarHBondContact O-CB 3.5Å; L107-L110 PolarHBondContact O-N 2.91Å; L110-M114 HydrophobicContact CD1-CB 4.39Å; L110-M115 HydrophobicContact CD1-CG 4.05Å; L110-M115 HydrophobicContact CD2-CG 3.74Å; L110-M115 HydrophobicContact CD2-SD 3.73Å; L110-M115 HydrophobicContact CG-CG 3.73Å; L110-M115 HydrophobicContact CG-SD 4.05Å; L110-M119 HydrophobicContact CD1-SD 4.29Å; L110-M119 HydrophobicContact CD2-SD 4.35Å; L110-I133 HydrophobicContact CD2-CD1 4.17Å | ||
| 111 | R | 95.1 | Very high | 95.4 | Very high | 135 Ų | 135 | 66.9 Ų | 66.9 | 51% | 0.509 | 34% | 0.338 | S | S | . | . | trans | -104.7 | 151.9 | 179.3 | -55.9 | -170.4 | -63.7 | 105.6 | 0.5 | 111.1 | L109 D113 M114 M115 | L109-R111 PolarHBondContact O-N 3.33Å; R111-D113 VanDerWaalsContact C-N 3.28Å; R111-D113 IonicContact CZ-OD2 2.75Å; R111-D113 IonicContact NH1-OD2 2.75Å; R111-D113 PolarHBondContact NH1-OD2 3.29Å; R111-D113 PolarHBondContact O-N 3.21Å; R111-M114 HydrophobicContact CB-CG 4.32Å; R111-M114 PolarHBondContact O-N 3.02Å; R111-M115 PolarHBondContact O-N 2.93Å | ||
| 112 | S | 95 | Very high | 95.4 | Very high | 41 Ų | 41 | 67.3 Ų | 67.3 | 29% | 0.287 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -51.7 | -44.2 | 175.9 | 50.4 | 0 | 0 | 0 | 0 | 113 | M114 M115 M116 | S112-M114 VanDerWaalsContact C-N 3.26Å; S112-M114 PolarHBondContact O-N 3.28Å; S112-M115 WeakPolarHBondContact O-CB 3.44Å; S112-M115 PolarHBondContact O-N 3.25Å; S112-M116 WeakPolarHBondContact O-CG 3.32Å; S112-M116 PolarHBondContact O-N 3.38Å; S112-M116 VanDerWaalsContact O-N 3.09Å |
| 113 | D | 95.4 | Very high | 95.3 | Very high | 94 Ų | 94 | 71.2 Ų | 71.2 | 50% | 0.503 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.3 | -36.6 | 179 | -52.8 | -34.7 | 0 | 0 | 0 | 112.4 | R111 M116 K117 | R111-D113 VanDerWaalsContact C-N 3.28Å; R111-D113 IonicContact CZ-OD2 2.75Å; R111-D113 IonicContact NH1-OD2 2.75Å; R111-D113 PolarHBondContact NH1-OD2 3.29Å; R111-D113 PolarHBondContact O-N 3.21Å; D113-M116 PolarHBondContact O-N 3.37Å; D113-K117 WeakPolarHBondContact O-CB 3.42Å; D113-K117 PolarHBondContact O-N 3.09Å |
| 114 | M | 96.1 | Very high | 95.1 | Very high | 73 Ų | 73 | 70.1 Ų | 70.1 | 36% | 0.36 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -74.2 | -40 | -176.8 | -56.7 | -135.7 | 80 | 0 | 0 | 111.2 | L110 R111 S112 M116 Y118 M119 | L110-M114 HydrophobicContact CD1-CB 4.39Å; R111-M114 HydrophobicContact CB-CG 4.32Å; R111-M114 PolarHBondContact O-N 3.02Å; S112-M114 VanDerWaalsContact C-N 3.26Å; S112-M114 PolarHBondContact O-N 3.28Å; M114-M116 VanDerWaalsContact C-N 3.3Å; M114-M116 PolarHBondContact O-N 3.01Å; M114-Y118 HydrophobicContact CB-CD2 4.28Å; M114-Y118 HydrophobicContact CE-CD2 3.43Å; M114-Y118 VanDerWaalsContact CE-CD2 3.43Å; M114-Y118 HydrophobicContact CE-CE2 3.22Å; M114-Y118 HydrophobicContact CE-CG 4.45Å; M114-Y118 WeakPolarHBondContact O-CB 3.38Å; M114-Y118 PolarHBondContact O-N 3.22Å; M114-M119 PolarHBondContact O-N 3.49Å |
| 115 | M | 96.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -57.3 | -44.6 | 173.1 | -70.4 | -169.8 | -68.7 | 0 | 0 | 111.6 | L110 R111 S112 M119 G120 L121 A126 L129 I133 | L110-M115 HydrophobicContact CD1-CG 4.05Å; L110-M115 HydrophobicContact CD2-CG 3.74Å; L110-M115 HydrophobicContact CD2-SD 3.73Å; L110-M115 HydrophobicContact CG-CG 3.73Å; L110-M115 HydrophobicContact CG-SD 4.05Å; R111-M115 PolarHBondContact O-N 2.93Å; S112-M115 WeakPolarHBondContact O-CB 3.44Å; S112-M115 PolarHBondContact O-N 3.25Å; M115-M119 HydrophobicContact CB-SD 4.48Å; M115-M119 HydrophobicContact CG-SD 4.02Å; M115-M119 CarbonylContact O-C 3.45Å; M115-M119 WeakPolarHBondContact O-CB 3.34Å; M115-M119 PolarHBondContact O-N 2.95Å; M115-G120 PolarHBondContact O-N 3.46Å; M115-L121 HydrophobicContact CB-CB 4.47Å; M115-L121 HydrophobicContact CB-CD1 3.87Å; M115-L121 HydrophobicContact CG-CD1 4.27Å; M115-L121 WeakPolarHBondContact O-CB 3.48Å; M115-L121 PolarHBondContact O-N 2.92Å; M115-L121 VanDerWaalsContact O-N 3.08Å; M115-L121 HydrophobicContact SD-CD1 4.37Å; M115-A126 HydrophobicContact CB-CB 4.32Å; M115-A126 HydrophobicContact CE-CB 4.49Å; M115-A126 WeakPolarHBondContact CE-O 3.4Å; M115-L129 HydrophobicContact CE-CD2 4.5Å; M115-L129 HydrophobicContact CE-CG 4.49Å; M115-L129 HydrophobicContact SD-CB 4.18Å; M115-L129 HydrophobicContact SD-CD2 3.21Å; M115-L129 WeakPolarHBondContact SD-CD2 3.27Å; M115-L129 HydrophobicContact SD-CG 3.67Å; M115-I133 HydrophobicContact SD-CD1 4.45Å |
| 116 | M | 96.3 | Very high | 95.1 | Very high | 75 Ų | 75 | 65.3 Ų | 65.3 | 37% | 0.369 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -74.3 | -45.4 | -179.6 | -65.5 | 175.8 | 60.9 | 0 | 0 | 112.7 | S112 D113 M114 L121 L123 A126 | S112-M116 WeakPolarHBondContact O-CG 3.32Å; S112-M116 PolarHBondContact O-N 3.38Å; S112-M116 VanDerWaalsContact O-N 3.09Å; D113-M116 PolarHBondContact O-N 3.37Å; M114-M116 VanDerWaalsContact C-N 3.3Å; M114-M116 PolarHBondContact O-N 3.01Å; M116-L121 VanDerWaalsContact CA-O 3.32Å; M116-L121 WeakPolarHBondContact CA-O 3.47Å; M116-L121 WeakPolarHBondContact CG-O 3.27Å; M116-L123 HydrophobicContact CE-CB 3.98Å; M116-L123 HydrophobicContact CE-CD1 4.03Å; M116-L123 HydrophobicContact SD-CB 4.47Å; M116-L123 HydrophobicContact SD-CD1 3.82Å; M116-A126 HydrophobicContact CG-CB 3.62Å; M116-A126 HydrophobicContact SD-CB 4.19Å |
| 117 | K | 95.9 | Very high | 95.1 | Very high | 155 Ų | 155 | 66.6 Ų | 66.6 | 67% | 0.674 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -78.6 | -37.4 | -173 | -174.5 | 172.9 | 177.8 | -174.6 | 0 | 113.8 | D113 | D113-K117 WeakPolarHBondContact O-CB 3.42Å; D113-K117 PolarHBondContact O-N 3.09Å |
| 118 | Y | 95 | Very high | 94.9 | Very high | 130 Ų | 130 | 67.8 Ų | 67.8 | 51% | 0.51 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -113.4 | -26.9 | -169.9 | -57.8 | -79.3 | 0 | 0 | 0 | 113.8 | H100 M114 | H100-Y118 PolarHBondContact CE1-O 3.46Å; H100-Y118 PolarHBondContact NE2-O 3.45Å; M114-Y118 HydrophobicContact CB-CD2 4.28Å; M114-Y118 HydrophobicContact CE-CD2 3.43Å; M114-Y118 VanDerWaalsContact CE-CD2 3.43Å; M114-Y118 HydrophobicContact CE-CE2 3.22Å; M114-Y118 HydrophobicContact CE-CG 4.45Å; M114-Y118 WeakPolarHBondContact O-CB 3.38Å; M114-Y118 PolarHBondContact O-N 3.22Å |
| 119 | M | 95 | Very high | 94.9 | Very high | 14 Ų | 14 | 65.7 Ų | 65.7 | 7% | 0.069 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -96.3 | -6 | 175.2 | -50.8 | 175.2 | 66 | 0 | 0 | 113 | L96 F97 L110 M114 M115 L121 | L96-M119 HydrophobicContact CB-CE 3.84Å; F97-M119 HydrophobicContact CD1-CE 4.35Å; F97-M119 HydrophobicContact CD2-CE 4.04Å; F97-M119 HydrophobicContact CE1-CE 4.37Å; F97-M119 HydrophobicContact CE2-CE 4.07Å; F97-M119 HydrophobicContact CG-CE 4.21Å; F97-M119 HydrophobicContact CZ-CE 4.27Å; L110-M119 HydrophobicContact CD1-SD 4.29Å; L110-M119 HydrophobicContact CD2-SD 4.35Å; M114-M119 PolarHBondContact O-N 3.49Å; M115-M119 HydrophobicContact CB-SD 4.48Å; M115-M119 HydrophobicContact CG-SD 4.02Å; M115-M119 CarbonylContact O-C 3.45Å; M115-M119 WeakPolarHBondContact O-CB 3.34Å; M115-M119 PolarHBondContact O-N 2.95Å; M119-L121 VanDerWaalsContact C-N 3.29Å; M119-L121 HydrophobicContact CB-CG 4.34Å; M119-L121 PolarHBondContact O-N 3.32Å |
| 120 | G | 93.4 | Very high | 94.9 | Very high | 65 Ų | 65 | 60.4 Ų | 60.4 | 67% | 0.67 | 31% | 0.314 | S | S | * | . | trans | 71.2 | 21.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | M115 | M115-G120 PolarHBondContact O-N 3.46Š| ||
| 121 | L | 94.6 | Very high | 94.8 | Very high | 7 Ų | 7 | 61.1 Ų | 61.1 | 4% | 0.037 | 32% | 0.316 | C | S | . | . | trans | -74.2 | 139 | 176.9 | -67.6 | 176.8 | 0 | 0 | 0 | 111.1 | H93 L96 M115 M116 M119 P125 A126 L129 | H93-L121 HydrophobicContact CB-CD2 3.95Å; L96-L121 HydrophobicContact CD1-CD2 3.76Å; L96-L121 HydrophobicContact CD1-CG 4.3Å; M115-L121 HydrophobicContact CB-CB 4.47Å; M115-L121 HydrophobicContact CB-CD1 3.87Å; M115-L121 HydrophobicContact CG-CD1 4.27Å; M115-L121 WeakPolarHBondContact O-CB 3.48Å; M115-L121 PolarHBondContact O-N 2.92Å; M115-L121 VanDerWaalsContact O-N 3.08Å; M115-L121 HydrophobicContact SD-CD1 4.37Å; M116-L121 VanDerWaalsContact CA-O 3.32Å; M116-L121 WeakPolarHBondContact CA-O 3.47Å; M116-L121 WeakPolarHBondContact CG-O 3.27Å; M119-L121 VanDerWaalsContact C-N 3.29Å; M119-L121 HydrophobicContact CB-CG 4.34Å; M119-L121 PolarHBondContact O-N 3.32Å; L121-P125 HydrophobicContact CD2-CB 4.41Å; L121-A126 HydrophobicContact CB-CB 4.31Å; L121-L129 HydrophobicContact CD1-CD2 3.83Å | ||
| 122 | K | 95.4 | Very high | 94.7 | Very high | 169 Ų | 169 | 55.2 Ų | 55.2 | 74% | 0.735 | 29% | 0.294 | S | S | * | . | trans | -73.4 | 160.8 | 170.6 | -69.2 | 177.6 | 179.8 | 163.7 | 0 | 110 | G124 P125 A126 | K122-G124 VanDerWaalsContact C-N 3.27Å; K122-G124 PolarHBondContact O-N 3.34Å; K122-P125 WeakPolarHBondContact O-CD 3.36Å; K122-A126 WeakPolarHBondContact O-CB 3.4Å; K122-A126 PolarHBondContact O-N 3.09Å | ||
| 123 | L | 94.3 | Very high | 94.6 | Very high | 102 Ų | 102 | 53.3 Ų | 53.3 | 53% | 0.534 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -51.9 | -45.1 | 180 | -179.2 | 63.2 | 0 | 0 | 0 | 112.4 | M116 A126 L127 | M116-L123 HydrophobicContact CE-CB 3.98Å; M116-L123 HydrophobicContact CE-CD1 4.03Å; M116-L123 HydrophobicContact SD-CB 4.47Å; M116-L123 HydrophobicContact SD-CD1 3.82Å; L123-A126 PolarHBondContact O-N 2.75Å; L123-L127 HydrophobicContact CD1-CD1 3.86Å; L123-L127 HydrophobicContact CD1-CD2 4.29Å; L123-L127 HydrophobicContact CD1-CG 3.88Å; L123-L127 HydrophobicContact CG-CD1 3.86Å; L123-L127 HydrophobicContact CG-CG 4.26Å; L123-L127 WeakPolarHBondContact O-CB 3.41Å; L123-L127 VanDerWaalsContact O-CG 3.24Å; L123-L127 WeakPolarHBondContact O-CG 3.48Å; L123-L127 PolarHBondContact O-N 3.22Å |
| 124 | G | 93.6 | Very high | 94.4 | Very high | 37 Ų | 37 | 52 Ų | 52 | 38% | 0.381 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -56.2 | -63.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | K122 A126 L127 K128 | K122-G124 VanDerWaalsContact C-N 3.27Å; K122-G124 PolarHBondContact O-N 3.34Å; G124-A126 VanDerWaalsContact C-N 3.31Å; G124-A126 PolarHBondContact O-N 2.82Å; G124-L127 PolarHBondContact O-N 3.12Å; G124-K128 PolarHBondContact O-N 3.21Å; G124-K128 VanDerWaalsContact O-N 3.09Å |
| 125 | P | 94.3 | Very high | 94 | Very high | 33 Ų | 33 | 51.6 Ų | 51.6 | 21% | 0.214 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -55.7 | -40.2 | 175.3 | -28.8 | 35.8 | 0 | 0 | 0 | 114.1 | L90 L121 K122 L127 K128 L129 | L90-P125 HydrophobicContact CD2-CB 3.82Å; L121-P125 HydrophobicContact CD2-CB 4.41Å; K122-P125 WeakPolarHBondContact O-CD 3.36Å; P125-L127 PolarHBondContact O-N 3.49Å; P125-K128 PolarHBondContact O-N 3.13Å; P125-L129 VanDerWaalsContact O-CB 3.27Å; P125-L129 WeakPolarHBondContact O-CB 3.45Å; P125-L129 PolarHBondContact O-N 3.16Å |
| 126 | A | 95.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.9 | -40.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | M115 M116 L121 K122 L123 G124 S130 | M115-A126 HydrophobicContact CB-CB 4.32Å; M115-A126 HydrophobicContact CE-CB 4.49Å; M115-A126 WeakPolarHBondContact CE-O 3.4Å; M116-A126 HydrophobicContact CG-CB 3.62Å; M116-A126 HydrophobicContact SD-CB 4.19Å; L121-A126 HydrophobicContact CB-CB 4.31Å; K122-A126 WeakPolarHBondContact O-CB 3.4Å; K122-A126 PolarHBondContact O-N 3.09Å; L123-A126 PolarHBondContact O-N 2.75Å; G124-A126 VanDerWaalsContact C-N 3.31Å; G124-A126 PolarHBondContact O-N 2.82Å; A126-S130 WeakPolarHBondContact O-CB 3.29Å; A126-S130 PolarHBondContact O-N 2.94Å |
| 127 | L | 94.9 | Very high | 93.3 | Very high | 60 Ų | 60 | 53.2 Ų | 53.2 | 31% | 0.314 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -68.2 | -40.3 | 176.2 | -70.4 | 176.8 | 0 | 0 | 0 | 112.3 | M42 W46 L123 G124 P125 L129 S130 Y131 | M42-L127 HydrophobicContact CE-CD2 4.35Å; W46-L127 HydrophobicContact CZ2-CB 4.33Å; L123-L127 HydrophobicContact CD1-CD1 3.86Å; L123-L127 HydrophobicContact CD1-CD2 4.29Å; L123-L127 HydrophobicContact CD1-CG 3.88Å; L123-L127 HydrophobicContact CG-CD1 3.86Å; L123-L127 HydrophobicContact CG-CG 4.26Å; L123-L127 WeakPolarHBondContact O-CB 3.41Å; L123-L127 VanDerWaalsContact O-CG 3.24Å; L123-L127 WeakPolarHBondContact O-CG 3.48Å; L123-L127 PolarHBondContact O-N 3.22Å; G124-L127 PolarHBondContact O-N 3.12Å; P125-L127 PolarHBondContact O-N 3.49Å; L127-L129 VanDerWaalsContact C-N 3.35Å; L127-S130 PolarHBondContact O-N 2.93Å; L127-Y131 PolarHBondContact O-N 3.28Å; L127-Y131 VanDerWaalsContact O-N 3.09Å |
| 128 | K | 92.9 | Very high | 92.6 | Very high | 25 Ų | 25 | 50.5 Ų | 50.5 | 11% | 0.109 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.3 | -50.6 | 174.4 | -74 | 178.6 | 159.2 | -144.2 | 0 | 110.8 | W46 D87 L90 G124 P125 S130 Y131 H132 | W46-K128 HydrophobicContact CD2-CG 4.46Å; W46-K128 HydrophobicContact CE3-CG 4.3Å; W46-K128 HydrophobicContact CH2-CB 4.36Å; W46-K128 HydrophobicContact CH2-CD 3.97Å; W46-K128 HydrophobicContact CH2-CG 3.13Å; W46-K128 HydrophobicContact CZ2-CB 3.97Å; W46-K128 HydrophobicContact CZ2-CD 4.41Å; W46-K128 HydrophobicContact CZ2-CG 3.16Å; W46-K128 HydrophobicContact CZ3-CD 4.22Å; W46-K128 VanDerWaalsContact CZ3-CE 3.45Å; W46-K128 HydrophobicContact CZ3-CG 3.71Å; D87-K128 WeakPolarHBondContact OD2-CD 3.24Å; D87-K128 IonicContact OD2-NZ 3.17Å; D87-K128 PolarHBondContact OD2-NZ 2.9Å; L90-K128 HydrophobicContact CD1-CB 4.15Å; L90-K128 HydrophobicContact CD2-CB 4.29Å; G124-K128 PolarHBondContact O-N 3.21Å; G124-K128 VanDerWaalsContact O-N 3.09Å; P125-K128 PolarHBondContact O-N 3.13Å; K128-S130 PolarHBondContact O-N 3.46Å; K128-Y131 WeakPolarHBondContact O-CB 3.34Å; K128-Y131 PolarHBondContact O-N 2.81Å; K128-H132 PolarHBondContact O-CD2 3.09Å; K128-H132 PolarHBondContact O-N 3.33Å; K128-H132 VanDerWaalsContact O-N 3.16Å |
| 129 | L | 94.4 | Very high | 91.3 | Very high | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.5 | -41.8 | -178.4 | -177 | 56.6 | 0 | 0 | 0 | 111.8 | V83 L90 F97 M115 L121 P125 L127 Y131 H132 I133 | V83-L129 HydrophobicContact CG2-CD1 3.97Å; L90-L129 HydrophobicContact CD1-CB 4.07Å; L90-L129 HydrophobicContact CD1-CD1 4.23Å; F97-L129 HydrophobicContact CE1-CD2 4.44Å; F97-L129 HydrophobicContact CE2-CD2 3.95Å; F97-L129 HydrophobicContact CZ-CD1 3.87Å; F97-L129 HydrophobicContact CZ-CD2 3.38Å; F97-L129 HydrophobicContact CZ-CG 4.13Å; M115-L129 HydrophobicContact CE-CD2 4.5Å; M115-L129 HydrophobicContact CE-CG 4.49Å; M115-L129 HydrophobicContact SD-CB 4.18Å; M115-L129 HydrophobicContact SD-CD2 3.21Å; M115-L129 WeakPolarHBondContact SD-CD2 3.27Å; M115-L129 HydrophobicContact SD-CG 3.67Å; L121-L129 HydrophobicContact CD1-CD2 3.83Å; P125-L129 VanDerWaalsContact O-CB 3.27Å; P125-L129 WeakPolarHBondContact O-CB 3.45Å; P125-L129 PolarHBondContact O-N 3.16Å; L127-L129 VanDerWaalsContact C-N 3.35Å; L129-Y131 VanDerWaalsContact C-N 3.29Å; L129-Y131 PolarHBondContact O-N 3.48Å; L129-H132 PolarHBondContact O-N 3.41Å; L129-I133 HydrophobicContact CD1-CD1 4.14Å; L129-I133 HydrophobicContact CD1-CG1 4.39Å; L129-I133 HydrophobicContact CG-CD1 3.9Å; L129-I133 VanDerWaalsContact O-CG1 3.29Å; L129-I133 WeakPolarHBondContact O-CG1 3.19Å; L129-I133 PolarHBondContact O-N 3.01Å |
| 130 | S | 94.4 | Very high | 89.7 | Confident | 29 Ų | 29 | 52.4 Ų | 52.4 | 20% | 0.203 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -56.5 | -44 | 173.7 | -166.4 | 0 | 0 | 0 | 0 | 111.8 | A126 L127 K128 H132 I133 D134 | A126-S130 WeakPolarHBondContact O-CB 3.29Å; A126-S130 PolarHBondContact O-N 2.94Å; L127-S130 PolarHBondContact O-N 2.93Å; K128-S130 PolarHBondContact O-N 3.46Å; S130-H132 PolarHBondContact O-N 3.03Å; S130-I133 PolarHBondContact O-N 2.9Å; S130-D134 WeakPolarHBondContact O-CB 3.47Å; S130-D134 VanDerWaalsContact O-CG 3.22Å; S130-D134 PolarHBondContact O-N 3.27Å |
| 131 | Y | 93 | Very high | 87.8 | Confident | 38 Ų | 38 | 53.8 Ų | 53.8 | 15% | 0.149 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.8 | -44.4 | 177.6 | 169.1 | -100.2 | 0 | 0 | 0 | 112.5 | E43 W46 L127 K128 L129 D134 R135 | E43-Y131 HydrophobicContact CG-CE2 3.98Å; W46-Y131 AromaticContact CD1-CD1 3.45Å; W46-Y131 VanDerWaalsContact CD1-CD1 3.45Å; W46-Y131 AromaticContact CD1-CD2 3.69Å; W46-Y131 AromaticContact CD1-CE1 3.91Å; W46-Y131 AromaticContact CD1-CG 3.31Å; W46-Y131 HydrophobicContact CG-CD1 4.35Å; W46-Y131 AromaticContact NE1-CD1 3.95Å; W46-Y131 AromaticContact NE1-CG 3.63Å; L127-Y131 PolarHBondContact O-N 3.28Å; L127-Y131 VanDerWaalsContact O-N 3.09Å; K128-Y131 WeakPolarHBondContact O-CB 3.34Å; K128-Y131 PolarHBondContact O-N 2.81Å; L129-Y131 VanDerWaalsContact C-N 3.29Å; L129-Y131 PolarHBondContact O-N 3.48Å; Y131-D134 PolarHBondContact O-N 2.97Å; Y131-R135 HydrophobicContact CE2-CG 4.37Å; Y131-R135 PolarHBondContact O-N 3.19Å; Y131-R135 VanDerWaalsContact O-N 3.08Å |
| 132 | H | 92.4 | Very high | 87.5 | Confident | 10 Ų | 10 | 56.1 Ų | 56.1 | 5% | 0.046 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66 | -41.5 | 176.3 | -72.2 | -74.6 | 0 | 0 | 0 | 111.6 | F82 A86 K128 L129 S130 D134 R135 L136 F141 | F82-H132 HydrophobicContact CE1-CB 4.32Å; F82-H132 HydrophobicContact CZ-CB 3.87Å; A86-H132 HydrophobicContact CB-CB 4.07Å; A86-H132 PolarHBondContact O-CE1 3.43Å; A86-H132 PolarHBondContact O-NE2 3.38Å; K128-H132 PolarHBondContact O-CD2 3.09Å; K128-H132 PolarHBondContact O-N 3.33Å; K128-H132 VanDerWaalsContact O-N 3.16Å; L129-H132 PolarHBondContact O-N 3.41Å; S130-H132 PolarHBondContact O-N 3.03Å; H132-D134 VanDerWaalsContact C-N 3.33Å; H132-D134 PolarHBondContact O-N 3.42Å; H132-R135 PolarHBondContact O-N 3.24Å; H132-L136 WeakPolarHBondContact O-CB 3.13Å; H132-L136 PolarHBondContact O-N 3.29Å; H132-L136 VanDerWaalsContact O-N 3.14Å; H132-F141 HydrophobicContact CB-CZ 4.19Å; H132-F141 WeakPolarHBondContact O-CE2 3.46Å; H132-F141 WeakPolarHBondContact O-CZ 3.3Å |
| 133 | I | 92.9 | Very high | 87 | Confident | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.8 | -39.9 | 175.6 | -66.7 | 165.7 | 0 | 0 | 0 | 111.3 | L107 L110 M115 L129 S130 R135 L136 K137 | L107-I133 HydrophobicContact CD1-CD1 3.7Å; L107-I133 HydrophobicContact CD1-CG1 3.85Å; L107-I133 HydrophobicContact CG-CD1 4.42Å; L107-I133 HydrophobicContact CG-CG1 4.2Å; L110-I133 HydrophobicContact CD2-CD1 4.17Å; M115-I133 HydrophobicContact SD-CD1 4.45Å; L129-I133 HydrophobicContact CD1-CD1 4.14Å; L129-I133 HydrophobicContact CD1-CG1 4.39Å; L129-I133 HydrophobicContact CG-CD1 3.9Å; L129-I133 VanDerWaalsContact O-CG1 3.29Å; L129-I133 WeakPolarHBondContact O-CG1 3.19Å; L129-I133 PolarHBondContact O-N 3.01Å; S130-I133 PolarHBondContact O-N 2.9Å; I133-R135 PolarHBondContact O-N 3.44Å; I133-L136 WeakPolarHBondContact O-CB 3.35Å; I133-L136 PolarHBondContact O-N 2.7Å; I133-K137 HydrophobicContact CG2-CD 4.26Å; I133-K137 WeakPolarHBondContact O-CG 3.35Å; I133-K137 PolarHBondContact O-N 3.17Å |
| 134 | D | 91.7 | Very high | 86.6 | Confident | 65 Ų | 65 | 47.3 Ų | 47.3 | 35% | 0.348 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -68.5 | -35.1 | -179.6 | -73.5 | -22.9 | 0 | 0 | 0 | 112.7 | S130 Y131 H132 L136 Q138 | S130-D134 WeakPolarHBondContact O-CB 3.47Å; S130-D134 VanDerWaalsContact O-CG 3.22Å; S130-D134 PolarHBondContact O-N 3.27Å; Y131-D134 PolarHBondContact O-N 2.97Å; H132-D134 VanDerWaalsContact C-N 3.33Å; H132-D134 PolarHBondContact O-N 3.42Å; D134-L136 PolarHBondContact O-N 3.04Å; D134-Q138 VanDerWaalsContact O-CG 3.28Å; D134-Q138 WeakPolarHBondContact O-CG 3.37Å; D134-Q138 PolarHBondContact O-N 3.46Å; D134-Q138 PolarHBondContact O-NE2 3.49Å |
| 135 | R | 88.8 | Confident | 86.2 | Confident | 65 Ų | 65 | 47.9 Ų | 47.9 | 25% | 0.245 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.3 | -30 | 170.8 | -78.6 | -173.2 | 61.5 | -159.1 | -1 | 111.9 | Y131 H132 I133 Q138 G139 K140 F141 | Y131-R135 HydrophobicContact CE2-CG 4.37Å; Y131-R135 PolarHBondContact O-N 3.19Å; Y131-R135 VanDerWaalsContact O-N 3.08Å; H132-R135 PolarHBondContact O-N 3.24Å; I133-R135 PolarHBondContact O-N 3.44Å; R135-Q138 PolarHBondContact O-N 3.15Å; R135-G139 PolarHBondContact O-N 3.09Å; R135-K140 PolarHBondContact NE-O 3.45Å; R135-K140 PolarHBondContact NH2-O 3.34Å; R135-K140 PolarHBondContact O-N 2.85Å; R135-K140 VanDerWaalsContact O-N 3.1Å; R135-F141 VanDerWaalsContact C-CD2 3.43Å; R135-F141 HydrophobicContact CB-CD2 3.87Å; R135-F141 HydrophobicContact CB-CE2 3.22Å; R135-F141 HydrophobicContact CB-CZ 3.98Å; R135-F141 WeakPolarHBondContact O-CD2 3.14Å |
| 136 | L | 89.2 | Confident | 85.7 | Confident | 13 Ų | 13 | 48.8 Ų | 48.8 | 7% | 0.068 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -74.2 | -43.8 | -173.7 | -178 | 65.2 | 0 | 0 | 0 | 108.8 | P71 W74 F82 L107 H132 I133 D134 Q138 G139 F141 | P71-L136 HydrophobicContact CB-CD1 4.34Å; P71-L136 HydrophobicContact CB-CD2 4.02Å; P71-L136 HydrophobicContact CB-CG 4.05Å; P71-L136 HydrophobicContact CG-CD1 3.66Å; P71-L136 HydrophobicContact CG-CD2 4.24Å; P71-L136 HydrophobicContact CG-CG 3.74Å; W74-L136 HydrophobicContact CE3-CD2 4.26Å; W74-L136 HydrophobicContact CH2-CD1 3.41Å; W74-L136 VanDerWaalsContact CH2-CD1 3.41Å; W74-L136 HydrophobicContact CH2-CD2 3.7Å; W74-L136 HydrophobicContact CH2-CG 4.18Å; W74-L136 HydrophobicContact CZ2-CD1 3.97Å; W74-L136 HydrophobicContact CZ3-CD1 4.1Å; W74-L136 HydrophobicContact CZ3-CD2 3.45Å; W74-L136 VanDerWaalsContact CZ3-CD2 3.45Å; W74-L136 HydrophobicContact CZ3-CG 4.4Å; F82-L136 HydrophobicContact CE1-CD2 4.34Å; F82-L136 HydrophobicContact CE2-CB 4.41Å; F82-L136 HydrophobicContact CE2-CD1 4.15Å; F82-L136 HydrophobicContact CE2-CD2 4.05Å; F82-L136 HydrophobicContact CE2-CG 4.44Å; F82-L136 HydrophobicContact CZ-CB 4.26Å; F82-L136 HydrophobicContact CZ-CD2 3.97Å; L107-L136 HydrophobicContact CD2-CD2 3.82Å; H132-L136 WeakPolarHBondContact O-CB 3.13Å; H132-L136 PolarHBondContact O-N 3.29Å; H132-L136 VanDerWaalsContact O-N 3.14Å; I133-L136 WeakPolarHBondContact O-CB 3.35Å; I133-L136 PolarHBondContact O-N 2.7Å; D134-L136 PolarHBondContact O-N 3.04Å; L136-Q138 PolarHBondContact O-N 2.84Å; L136-G139 PolarHBondContact O-N 2.89Å; L136-G139 VanDerWaalsContact O-N 3.14Å; L136-F141 VanDerWaalsContact CA-CE2 3.41Å; L136-F141 HydrophobicContact CB-CD2 3.86Å; L136-F141 HydrophobicContact CB-CE2 3.62Å; L136-F141 HydrophobicContact CB-CZ 4.45Å; L136-F141 HydrophobicContact CD1-CD2 3.95Å; L136-F141 HydrophobicContact CD1-CE2 4.36Å; L136-F141 HydrophobicContact CD1-CG 4.18Å |
| 137 | K | 87 | Confident | 85.1 | Confident | 97 Ų | 97 | 52.1 Ų | 52.1 | 42% | 0.422 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -58.8 | -32.8 | 171.3 | -69.5 | 168.1 | 178.8 | 179.1 | 0 | 113.6 | L108 I133 G139 | L108-K137 HydrophobicContact CD2-CG 3.65Å; L108-K137 WeakPolarHBondContact O-CE 3.19Å; L108-K137 PolarHBondContact O-NZ 3.09Å; I133-K137 HydrophobicContact CG2-CD 4.26Å; I133-K137 WeakPolarHBondContact O-CG 3.35Å; I133-K137 PolarHBondContact O-N 3.17Å; K137-G139 VanDerWaalsContact C-N 3.27Å; K137-G139 PolarHBondContact O-N 3.34Å |
| 138 | Q | 81.9 | Confident | 84.4 | Confident | 97 Ų | 97 | 51.5 Ų | 51.5 | 45% | 0.453 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -3.2 | -179.4 | -72 | 171.2 | 55.9 | 0 | 0 | 113.3 | D134 R135 L136 K140 | D134-Q138 VanDerWaalsContact O-CG 3.28Å; D134-Q138 WeakPolarHBondContact O-CG 3.37Å; D134-Q138 PolarHBondContact O-N 3.46Å; D134-Q138 PolarHBondContact O-NE2 3.49Å; R135-Q138 PolarHBondContact O-N 3.15Å; L136-Q138 PolarHBondContact O-N 2.84Å; Q138-K140 HydrophobicContact CB-CB 4.47Å; Q138-K140 HydrophobicContact CB-CD 4.04Å; Q138-K140 HydrophobicContact CB-CG 4Å; Q138-K140 PolarHBondContact O-N 3.24Å |
| 139 | G | 68.8 | Low | 83.7 | Confident | 69 Ų | 69 | 53.5 Ų | 53.5 | 71% | 0.711 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.3 | 26.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | R135 L136 K137 | R135-G139 PolarHBondContact O-N 3.09Å; L136-G139 PolarHBondContact O-N 2.89Å; L136-G139 VanDerWaalsContact O-N 3.14Å; K137-G139 VanDerWaalsContact C-N 3.27Å; K137-G139 PolarHBondContact O-N 3.34Å |
| 140 | K | 60.8 | Low | 82.8 | Confident | 116 Ų | 116 | 57.8 Ų | 57.8 | 50% | 0.504 | 30% | 0.297 | S | S | . | . | trans | -103.2 | 43.2 | -177.8 | -67.2 | 178.1 | 179 | 167.9 | 0 | 112.2 | R135 Q138 | R135-K140 PolarHBondContact NE-O 3.45Å; R135-K140 PolarHBondContact NH2-O 3.34Å; R135-K140 PolarHBondContact O-N 2.85Å; R135-K140 VanDerWaalsContact O-N 3.1Å; Q138-K140 HydrophobicContact CB-CB 4.47Å; Q138-K140 HydrophobicContact CB-CD 4.04Å; Q138-K140 HydrophobicContact CB-CG 4Å; Q138-K140 PolarHBondContact O-N 3.24Å | ||
| 141 | F | 52.9 | Low | 81.8 | Confident | 93 Ų | 93 | 60.5 Ų | 60.5 | 41% | 0.408 | 31% | 0.306 | S | S | . | . | trans | -115.5 | 0 | 179.9 | -94.9 | -90.6 | 0 | 0 | 0 | 112.9 | F82 H132 R135 L136 | F82-F141 HydrophobicContact CD2-CE1 4.33Å; F82-F141 HydrophobicContact CE2-CD1 4.03Å; F82-F141 AromaticContact CE2-CE1 3.41Å; F82-F141 HydrophobicContact CE2-CE1 3.41Å; F82-F141 VanDerWaalsContact CE2-CE1 3.41Å; F82-F141 HydrophobicContact CE2-CE2 4.12Å; F82-F141 AromaticContact CE2-CZ 3.44Å; F82-F141 HydrophobicContact CE2-CZ 3.44Å; F82-F141 VanDerWaalsContact CE2-CZ 3.44Å; F82-F141 HydrophobicContact CZ-CE1 4.13Å; F82-F141 HydrophobicContact CZ-CE2 4.36Å; F82-F141 AromaticContact CZ-CZ 3.72Å; F82-F141 HydrophobicContact CZ-CZ 3.72Å; H132-F141 HydrophobicContact CB-CZ 4.19Å; H132-F141 WeakPolarHBondContact O-CE2 3.46Å; H132-F141 WeakPolarHBondContact O-CZ 3.3Å; R135-F141 VanDerWaalsContact C-CD2 3.43Å; R135-F141 HydrophobicContact CB-CD2 3.87Å; R135-F141 HydrophobicContact CB-CE2 3.22Å; R135-F141 HydrophobicContact CB-CZ 3.98Å; R135-F141 WeakPolarHBondContact O-CD2 3.14Å; L136-F141 VanDerWaalsContact CA-CE2 3.41Å; L136-F141 HydrophobicContact CB-CD2 3.86Å; L136-F141 HydrophobicContact CB-CE2 3.62Å; L136-F141 HydrophobicContact CB-CZ 4.45Å; L136-F141 HydrophobicContact CD1-CD2 3.95Å; L136-F141 HydrophobicContact CD1-CE2 4.36Å; L136-F141 HydrophobicContact CD1-CG 4.18Å |
Retrieved 141 of 141 residues in 63.6 ms
(Link to these results)