| 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 | 54.2 | Low | 87.7 | Confident | 235 Ų | 235 | 112.7 Ų | 112.7 | 100% | 1.158 | 64% | 0.638 | S | S | * | * | 0 | 128.6 | 0 | -79 | 180 | -172.9 | 0 | 0 | 108.9 | |||||
| 2 | G | 74.1 | Confident | 88 | Confident | 59 Ų | 59 | 112.6 Ų | 112.6 | 61% | 0.608 | 65% | 0.65 | S | S | * | * | trans | -83.8 | 172.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 3 | R | 88.4 | Confident | 88.5 | Confident | 150 Ų | 150 | 116.2 Ų | 116.2 | 57% | 0.566 | 66% | 0.657 | S | S | * | * | B | Isolated β-bridge | trans | -74.4 | 146 | 169.7 | -61.4 | -68.1 | -178.9 | 168.5 | -0.9 | 109.9 | H5 A6 G8 | R3-H5 PolarHBondContact O-N 3.16Å; R3-A6 HydrophobicContact CB-CB 3.87Å; R3-A6 WeakPolarHBondContact CB-O 3.38Å; R3-G8 WeakPolarHBondContact CG-O 3.19Å; R3-G8 PolarHBondContact N-O 3.26Å; R3-G8 VanDerWaalsContact N-O 3.08Å |
| 4 | M | 92.3 | Very high | 88.9 | Confident | 117 Ų | 117 | 115.6 Ų | 115.6 | 58% | 0.576 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | -45.8 | -173.1 | -178.4 | -177.7 | -75.2 | 0 | 0 | 113.9 | R121 R124 | M4-R121 HydrophobicContact SD-CG 4.27Å; M4-R124 VanDerWaalsContact CG-NH1 3.27Å; M4-R124 PolarHBondContact SD-NH1 3.21Å |
| 5 | H | 94.2 | Very high | 89.4 | Confident | 65 Ų | 65 | 114.4 Ų | 114.4 | 30% | 0.301 | 67% | 0.674 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -124 | 30.7 | -179.4 | -62.8 | 166.8 | 0 | 0 | 0 | 111.3 | R3 L117 | R3-H5 PolarHBondContact O-N 3.16Å; H5-L117 HydrophobicContact CB-CB 4.44Å; H5-L117 HydrophobicContact CB-CD1 4.17Å; H5-L117 HydrophobicContact CB-CD2 4.1Å; H5-L117 HydrophobicContact CB-CG 4.47Å; H5-L117 PolarHBondContact CE1-O 3.4Å; H5-L117 PolarHBondContact ND1-O 3.48Å; H5-L117 VanDerWaalsContact ND1-O 3.08Å |
| 6 | A | 92.8 | Very high | 89.7 | Confident | 53 Ų | 53 | 113.6 Ų | 113.6 | 44% | 0.438 | 67% | 0.665 | S | S | . | * | B | Isolated β-bridge | trans | -149.2 | 148.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | R3 G8 | R3-A6 HydrophobicContact CB-CB 3.87Å; R3-A6 WeakPolarHBondContact CB-O 3.38Å; A6-G8 PolarHBondContact O-N 3.04Å |
| 7 | P | 93.7 | Very high | 90.1 | Very high | 132 Ų | 132 | 112.2 Ų | 112.2 | 86% | 0.857 | 66% | 0.66 | S | S | * | * | trans | -74.5 | -6.5 | -177.9 | 30.5 | -36 | 0 | 0 | 0 | 113.8 | ||||
| 8 | G | 93.7 | Very high | 90.4 | Very high | 34 Ų | 34 | 118.2 Ų | 118.2 | 35% | 0.351 | 67% | 0.671 | S | S | . | * | trans | -63.3 | 144.4 | -177 | 0 | 0 | 0 | 0 | 0 | 113.7 | R3 A6 | R3-G8 WeakPolarHBondContact CG-O 3.19Å; R3-G8 PolarHBondContact N-O 3.26Å; R3-G8 VanDerWaalsContact N-O 3.08Å; A6-G8 PolarHBondContact O-N 3.04Å | ||
| 9 | K | 94.6 | Very high | 90.6 | Very high | 185 Ų | 185 | 122.7 Ų | 122.7 | 80% | 0.804 | 68% | 0.676 | S | S | * | * | trans | -116.8 | 18.8 | -179.7 | -59.4 | -177.7 | -178.2 | 176.7 | 0 | 113.6 | L11 | K9-L11 PolarHBondContact O-N 3.16Š| ||
| 10 | G | 93.4 | Very high | 90.8 | Very high | 52 Ų | 52 | 125.6 Ų | 125.6 | 54% | 0.536 | 68% | 0.677 | S | S | . | * | trans | -61.4 | 134.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 11 | L | 93.1 | Very high | 90.9 | Very high | 158 Ų | 158 | 124 Ų | 124 | 83% | 0.827 | 68% | 0.675 | S | S | * | * | trans | -111.4 | 88.2 | -180 | -174.1 | 69.6 | 0 | 0 | 0 | 110 | K9 | K9-L11 PolarHBondContact O-N 3.16Š| ||
| 12 | S | 92.1 | Very high | 92.8 | Very high | 111 Ų | 111 | 115.5 Ų | 115.5 | 78% | 0.776 | 64% | 0.636 | S | S | * | * | trans | -138.6 | 118.2 | 175.2 | 179.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 13 | Q | 94 | Very high | 93.7 | Very high | 159 Ų | 159 | 115.3 Ų | 115.3 | 74% | 0.743 | 62% | 0.624 | S | S | * | * | trans | -158.7 | 158.8 | -179.5 | 60.8 | -174.2 | -22.6 | 0 | 0 | 109.7 | A15 | Q13-A15 PolarHBondContact O-N 2.76Š| ||
| 14 | S | 94 | Very high | 94 | Very high | 108 Ų | 108 | 114.1 Ų | 114.1 | 76% | 0.755 | 63% | 0.634 | S | S | * | * | trans | -66.8 | 132.9 | 174.6 | -54.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 15 | A | 96.1 | Very high | 94.1 | Very high | 98 Ų | 98 | 116.2 Ų | 116.2 | 81% | 0.81 | 64% | 0.635 | S | S | * | * | trans | -98 | 106.8 | 170 | 0 | 0 | 0 | 0 | 0 | 109 | Q13 | Q13-A15 PolarHBondContact O-N 2.76Š| ||
| 16 | L | 95 | Very high | 94.1 | Very high | 102 Ų | 102 | 114.1 Ų | 114.1 | 53% | 0.534 | 63% | 0.626 | S | S | . | * | trans | -67.3 | 139.6 | 177 | -79.5 | 146.7 | 0 | 0 | 0 | 110.1 | Q62 | L16-Q62 VanDerWaalsContact CD2-CD 3.49Å; L16-Q62 HydrophobicContact CD2-CG 3.74Å | ||
| 17 | P | 95.4 | Very high | 94 | Very high | 89 Ų | 89 | 119.8 Ų | 119.8 | 58% | 0.578 | 64% | 0.641 | S | S | * | * | trans | -64.1 | 152 | 174.1 | 28.1 | -34.4 | 0 | 0 | 0 | 110.7 | ||||
| 18 | Y | 96.3 | Very high | 94 | Very high | 220 Ų | 220 | 116.3 Ų | 116.3 | 86% | 0.863 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -62.9 | -44.5 | 177.8 | 179 | -100.5 | 0 | 0 | 0 | 112 | R20 | Y18-R20 PolarHBondContact O-N 3.26Š|
| 19 | R | 95 | Very high | 94.1 | Very high | 204 Ų | 204 | 118.2 Ų | 118.2 | 77% | 0.77 | 62% | 0.62 | S | S | * | * | trans | -68.5 | 129.3 | 179.7 | -66.6 | -175.4 | 180 | -177 | 0.1 | 110.4 | ||||
| 20 | R | 94.1 | Very high | 94.1 | Very high | 180 Ų | 180 | 111.3 Ų | 111.3 | 68% | 0.679 | 60% | 0.595 | S | S | * | * | trans | -108.3 | -2.2 | -179.5 | -56.7 | -179.2 | -176.3 | 152.5 | 2.2 | 113.4 | Y18 F65 | Y18-R20 PolarHBondContact O-N 3.26Å; R20-F65 HydrophobicContact CB-CD1 4.04Å; R20-F65 HydrophobicContact CB-CD2 4.49Å; R20-F65 HydrophobicContact CB-CE1 3.78Å; R20-F65 HydrophobicContact CB-CE2 4.26Å; R20-F65 HydrophobicContact CB-CG 4.41Å; R20-F65 HydrophobicContact CB-CZ 3.91Å; R20-F65 HydrophobicContact CG-CE1 3.82Å; R20-F65 HydrophobicContact CG-CE2 4.34Å; R20-F65 HydrophobicContact CG-CZ 3.7Å; R20-F65 WeakPolarHBondContact O-CB 3.43Å; R20-F65 VanDerWaalsContact O-CG 3.32Å; R20-F65 WeakPolarHBondContact O-CG 3.32Å | ||
| 21 | S | 93.3 | Very high | 94.1 | Very high | 92 Ų | 92 | 113 Ų | 113 | 64% | 0.643 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -70.9 | 148.7 | 175.3 | 49.9 | 0 | 0 | 0 | 0 | 110.7 | ||
| 22 | V | 92.8 | Very high | 94.2 | Very high | 57 Ų | 57 | 108.5 Ų | 108.5 | 35% | 0.345 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -70.3 | 132.5 | 173.8 | -177.2 | 0 | 0 | 0 | 0 | 108.8 | L26 F65 V66 | V22-L26 HydrophobicContact CG1-CB 4.08Å; V22-L26 HydrophobicContact CG1-CD2 3.68Å; V22-L26 HydrophobicContact CG1-CG 4.39Å; V22-F65 WeakPolarHBondContact CG2-O 3.19Å; V22-V66 HydrophobicContact CG1-CG2 4.27Å; V22-V66 HydrophobicContact CG2-CB 4.41Å; V22-V66 HydrophobicContact CG2-CG2 3.98Å |
| 23 | P | 93.4 | Very high | 94.4 | Very high | 55 Ų | 55 | 103.2 Ų | 103.2 | 36% | 0.357 | 53% | 0.531 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 145.2 | 176 | -21.3 | 32.7 | 0 | 0 | 0 | 112.5 | W25 L26 | P23-W25 VanDerWaalsContact C-N 3.26Å; P23-W25 HydrophobicContact CB-CD2 3.98Å; P23-W25 HydrophobicContact CB-CG 4.18Å; P23-W25 HydrophobicContact CB-CZ2 3.77Å; P23-W25 VanDerWaalsContact CB-NE1 3.26Å; P23-W25 HydrophobicContact CG-CH2 4.5Å; P23-W25 HydrophobicContact CG-CZ2 3.77Å; P23-W25 PolarHBondContact O-N 3.09Å; P23-L26 WeakPolarHBondContact O-CB 3.38Å; P23-L26 PolarHBondContact O-N 3.08Å; P23-L26 VanDerWaalsContact O-N 3.1Å |
| 24 | T | 94.1 | Very high | 94.4 | Very high | 125 Ų | 125 | 98.4 Ų | 98.4 | 77% | 0.767 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -22.4 | -175.8 | 50.7 | 0 | 0 | 0 | 0 | 114.6 | L26 K27 | T24-L26 VanDerWaalsContact C-N 3.34Å; T24-K27 PolarHBondContact O-NZ 3.21Å |
| 25 | W | 94.6 | Very high | 94.5 | Very high | 161 Ų | 161 | 99.6 Ų | 99.6 | 61% | 0.61 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -19 | 175.6 | 53.5 | -103.9 | 0 | 0 | 0 | 112.8 | P23 K27 G59 | P23-W25 VanDerWaalsContact C-N 3.26Å; P23-W25 HydrophobicContact CB-CD2 3.98Å; P23-W25 HydrophobicContact CB-CG 4.18Å; P23-W25 HydrophobicContact CB-CZ2 3.77Å; P23-W25 VanDerWaalsContact CB-NE1 3.26Å; P23-W25 HydrophobicContact CG-CH2 4.5Å; P23-W25 HydrophobicContact CG-CZ2 3.77Å; P23-W25 PolarHBondContact O-N 3.09Å; W25-K27 PolarHBondContact O-N 3.18Å; W25-G59 WeakPolarHBondContact CH2-O 3.42Å |
| 26 | L | 93.8 | Very high | 94.5 | Very high | 21 Ų | 21 | 97.9 Ų | 97.9 | 11% | 0.11 | 48% | 0.477 | C | S | . | . | trans | -78.7 | 104.4 | 176.5 | -170.8 | 71.3 | 0 | 0 | 0 | 108.9 | V22 P23 T24 L28 V60 V66 | V22-L26 HydrophobicContact CG1-CB 4.08Å; V22-L26 HydrophobicContact CG1-CD2 3.68Å; V22-L26 HydrophobicContact CG1-CG 4.39Å; P23-L26 WeakPolarHBondContact O-CB 3.38Å; P23-L26 PolarHBondContact O-N 3.08Å; P23-L26 VanDerWaalsContact O-N 3.1Å; T24-L26 VanDerWaalsContact C-N 3.34Å; L26-L28 VanDerWaalsContact C-N 3.34Å; L26-L28 HydrophobicContact CD1-CB 4.42Å; L26-L28 HydrophobicContact CD1-CD1 4.15Å; L26-L28 HydrophobicContact CD1-CG 4.41Å; L26-L28 HydrophobicContact CG-CB 4.35Å; L26-V60 HydrophobicContact CD1-CG2 4.26Å; L26-V60 HydrophobicContact CD2-CG2 4.44Å; L26-V66 HydrophobicContact CD2-CG2 3.78Å | ||
| 27 | K | 92.6 | Very high | 94.5 | Very high | 172 Ų | 172 | 93 Ų | 93 | 75% | 0.748 | 45% | 0.452 | S | S | * | . | trans | -88.2 | 0.3 | -179.9 | -56.6 | -52.4 | -174 | -169.5 | 0 | 114.3 | T24 W25 | T24-K27 PolarHBondContact O-NZ 3.21Å; W25-K27 PolarHBondContact O-N 3.18Å | ||
| 28 | L | 93.3 | Very high | 94.6 | Very high | 60 Ų | 60 | 90.4 Ų | 90.4 | 31% | 0.314 | 43% | 0.431 | S | S | . | . | trans | -74.3 | 129 | 178.3 | -68.2 | 173.2 | 0 | 0 | 0 | 110.6 | L26 D32 V33 H58 V60 | L26-L28 VanDerWaalsContact C-N 3.34Å; L26-L28 HydrophobicContact CD1-CB 4.42Å; L26-L28 HydrophobicContact CD1-CD1 4.15Å; L26-L28 HydrophobicContact CD1-CG 4.41Å; L26-L28 HydrophobicContact CG-CB 4.35Å; L28-D32 HydrophobicContact CD2-CB 4.23Å; L28-V33 HydrophobicContact CB-CG2 4.11Å; L28-H58 HydrophobicContact CD1-CB 4.29Å; L28-V60 HydrophobicContact CD1-CG2 3.7Å | ||
| 29 | T | 94.5 | Very high | 94.5 | Very high | 74 Ų | 74 | 85.7 Ų | 85.7 | 45% | 0.454 | 42% | 0.415 | S | S | . | . | trans | -79.7 | 169.7 | 174.6 | 72.6 | 0 | 0 | 0 | 0 | 111.3 | D31 D32 V33 | T29-D31 PolarHBondContact O-N 3.32Å; T29-D32 WeakPolarHBondContact CB-OD2 3.48Å; T29-D32 PolarHBondContact N-OD2 2.97Å; T29-D32 PolarHBondContact OG1-N 3.14Å; T29-D32 PolarHBondContact OG1-OD2 3.01Å; T29-V33 WeakPolarHBondContact O-CG2 3.44Å; T29-V33 PolarHBondContact O-N 3.44Å | ||
| 30 | S | 94.5 | Very high | 94.6 | Very high | 39 Ų | 39 | 76.7 Ų | 76.7 | 27% | 0.273 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.9 | -30.9 | 178.2 | 89.1 | 0 | 0 | 0 | 0 | 112.9 | K34 | S30-K34 VanDerWaalsContact O-CG 3.31Å; S30-K34 WeakPolarHBondContact O-CG 3.32Å; S30-K34 PolarHBondContact O-N 3.19Å |
| 31 | D | 94.9 | Very high | 94.6 | Very high | 88 Ų | 88 | 69 Ų | 69 | 47% | 0.471 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -81.4 | -39.5 | -176.2 | -63.4 | -44 | 0 | 0 | 0 | 111 | T29 V33 K34 E35 | T29-D31 PolarHBondContact O-N 3.32Å; D31-V33 VanDerWaalsContact C-N 3.26Å; D31-V33 PolarHBondContact O-N 3.44Å; D31-K34 WeakPolarHBondContact O-CB 3.36Å; D31-K34 PolarHBondContact O-N 3.23Å; D31-K34 IonicContact OD1-NZ 2.76Å; D31-K34 PolarHBondContact OD1-NZ 3.24Å; D31-E35 WeakPolarHBondContact O-CG 3.37Å; D31-E35 PolarHBondContact O-N 3.1Å |
| 32 | D | 94.6 | Very high | 94.7 | Very high | 63 Ų | 63 | 72.3 Ų | 72.3 | 34% | 0.337 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -55.6 | -44.1 | 171.8 | -54.2 | -39.4 | 0 | 0 | 0 | 111.2 | L28 T29 K34 E35 Q36 | L28-D32 HydrophobicContact CD2-CB 4.23Å; T29-D32 WeakPolarHBondContact CB-OD2 3.48Å; T29-D32 PolarHBondContact N-OD2 2.97Å; T29-D32 PolarHBondContact OG1-N 3.14Å; T29-D32 PolarHBondContact OG1-OD2 3.01Å; D32-K34 PolarHBondContact O-N 3.28Å; D32-E35 PolarHBondContact O-N 3.1Å; D32-Q36 WeakPolarHBondContact O-CG 3.44Å; D32-Q36 PolarHBondContact O-N 3.5Å |
| 33 | V | 95.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 76.7 Ų | 76.7 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64.8 | -39.9 | 178.2 | 174.7 | 0 | 0 | 0 | 0 | 111.4 | L28 T29 D31 Q36 I37 V60 V63 V66 T67 | L28-V33 HydrophobicContact CB-CG2 4.11Å; T29-V33 WeakPolarHBondContact O-CG2 3.44Å; T29-V33 PolarHBondContact O-N 3.44Å; D31-V33 VanDerWaalsContact C-N 3.26Å; D31-V33 PolarHBondContact O-N 3.44Å; V33-Q36 PolarHBondContact O-N 2.97Å; V33-I37 HydrophobicContact CG1-CD1 3.99Å; V33-I37 WeakPolarHBondContact O-CD1 3.11Å; V33-I37 WeakPolarHBondContact O-CG1 3.18Å; V33-I37 PolarHBondContact O-N 3.29Å; V33-V60 HydrophobicContact CG2-CG2 4.12Å; V33-V63 HydrophobicContact CG1-CG1 4.23Å; V33-V66 HydrophobicContact CG2-CG1 3.97Å; V33-T67 HydrophobicContact CB-CG2 3.99Å; V33-T67 HydrophobicContact CG1-CG2 3.76Å |
| 34 | K | 95.8 | Very high | 94.7 | Very high | 59 Ų | 59 | 77 Ų | 77 | 26% | 0.257 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.2 | -42.4 | 175.5 | -69.9 | 168.3 | -156.8 | 155.4 | 0 | 111 | S30 D31 D32 Q36 I37 F38 T67 I74 | S30-K34 VanDerWaalsContact O-CG 3.31Å; S30-K34 WeakPolarHBondContact O-CG 3.32Å; S30-K34 PolarHBondContact O-N 3.19Å; D31-K34 WeakPolarHBondContact O-CB 3.36Å; D31-K34 PolarHBondContact O-N 3.23Å; D31-K34 IonicContact OD1-NZ 2.76Å; D31-K34 PolarHBondContact OD1-NZ 3.24Å; D32-K34 PolarHBondContact O-N 3.28Å; K34-Q36 PolarHBondContact O-N 2.89Å; K34-I37 WeakPolarHBondContact O-CB 3.17Å; K34-I37 PolarHBondContact O-N 2.94Å; K34-F38 HydrophobicContact CB-CE2 3.9Å; K34-F38 HydrophobicContact CB-CZ 4.14Å; K34-F38 WeakPolarHBondContact O-CD2 3.46Å; K34-F38 WeakPolarHBondContact O-CG 3.41Å; K34-F38 PolarHBondContact O-N 3.2Å; K34-T67 HydrophobicContact CG-CG2 4.37Å; K34-I74 HydrophobicContact CB-CG2 4.45Å; K34-I74 HydrophobicContact CG-CG2 4.11Å |
| 35 | E | 95.6 | Very high | 94.7 | Very high | 132 Ų | 132 | 73.5 Ų | 73.5 | 62% | 0.617 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -61.2 | -44 | 177.4 | -71.4 | -165.9 | 166.5 | 0 | 0 | 112.2 | D31 D32 I37 F38 K39 | D31-E35 WeakPolarHBondContact O-CG 3.37Å; D31-E35 PolarHBondContact O-N 3.1Å; D32-E35 PolarHBondContact O-N 3.1Å; E35-I37 VanDerWaalsContact C-N 3.33Å; E35-I37 PolarHBondContact O-N 3.33Å; E35-F38 PolarHBondContact O-N 3.24Å; E35-K39 WeakPolarHBondContact O-CB 3.48Å; E35-K39 PolarHBondContact O-N 2.95Å |
| 36 | Q | 95.4 | Very high | 94.7 | Very high | 62 Ų | 62 | 67.1 Ų | 67.1 | 29% | 0.29 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.1 | -41 | 174.4 | -66.1 | -60.7 | -13.9 | 0 | 0 | 111.8 | D32 V33 K34 F38 K39 L40 L54 | D32-Q36 WeakPolarHBondContact O-CG 3.44Å; D32-Q36 PolarHBondContact O-N 3.5Å; V33-Q36 PolarHBondContact O-N 2.97Å; K34-Q36 PolarHBondContact O-N 2.89Å; Q36-F38 VanDerWaalsContact C-N 3.34Å; Q36-F38 PolarHBondContact O-N 3.45Å; Q36-K39 PolarHBondContact O-N 2.73Å; Q36-L40 WeakPolarHBondContact O-CB 3.44Å; Q36-L40 VanDerWaalsContact O-CG 3.27Å; Q36-L40 WeakPolarHBondContact O-CG 3.31Å; Q36-L40 PolarHBondContact O-N 2.92Å; Q36-L54 HydrophobicContact CB-CD2 4.07Å |
| 37 | I | 96.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -58.7 | -46.3 | 174.2 | -70.6 | 164.6 | 0 | 0 | 0 | 110.6 | V33 K34 E35 L40 A41 I50 L54 V63 I71 I74 L75 | V33-I37 HydrophobicContact CG1-CD1 3.99Å; V33-I37 WeakPolarHBondContact O-CD1 3.11Å; V33-I37 WeakPolarHBondContact O-CG1 3.18Å; V33-I37 PolarHBondContact O-N 3.29Å; K34-I37 WeakPolarHBondContact O-CB 3.17Å; K34-I37 PolarHBondContact O-N 2.94Å; E35-I37 VanDerWaalsContact C-N 3.33Å; E35-I37 PolarHBondContact O-N 3.33Å; I37-L40 PolarHBondContact O-N 3.01Å; I37-A41 VanDerWaalsContact O-CB 3.28Å; I37-A41 WeakPolarHBondContact O-CB 3.37Å; I37-A41 PolarHBondContact O-N 3.13Å; I37-I50 HydrophobicContact CB-CG2 4.46Å; I37-I50 HydrophobicContact CG1-CG2 3.99Å; I37-I50 HydrophobicContact CG2-CG2 4.44Å; I37-L54 HydrophobicContact CD1-CD1 4.2Å; I37-L54 HydrophobicContact CG1-CD1 3.65Å; I37-V63 HydrophobicContact CD1-CG1 3.63Å; I37-I71 HydrophobicContact CD1-CG1 4.33Å; I37-I71 HydrophobicContact CG2-CG2 4.18Å; I37-I74 HydrophobicContact CD1-CD1 3.82Å; I37-I74 HydrophobicContact CD1-CG2 4.48Å; I37-I74 HydrophobicContact CG2-CG2 4.24Å; I37-L75 HydrophobicContact CG2-CD2 3.67Å; I37-L75 HydrophobicContact CG2-CG 4.17Å |
| 38 | F | 95.8 | Very high | 94.9 | Very high | 35 Ų | 35 | 62.2 Ų | 62.2 | 15% | 0.154 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65 | -41.1 | 178.9 | -58 | -37.3 | 0 | 0 | 0 | 112.1 | K34 E35 Q36 A41 K42 I74 L75 K78 L80 | K34-F38 HydrophobicContact CB-CE2 3.9Å; K34-F38 HydrophobicContact CB-CZ 4.14Å; K34-F38 WeakPolarHBondContact O-CD2 3.46Å; K34-F38 WeakPolarHBondContact O-CG 3.41Å; K34-F38 PolarHBondContact O-N 3.2Å; E35-F38 PolarHBondContact O-N 3.24Å; Q36-F38 VanDerWaalsContact C-N 3.34Å; Q36-F38 PolarHBondContact O-N 3.45Å; F38-A41 PolarHBondContact O-N 3.39Å; F38-K42 WeakPolarHBondContact O-CB 3.33Å; F38-K42 WeakPolarHBondContact O-CG 3.41Å; F38-K42 PolarHBondContact O-N 3.24Å; F38-I74 HydrophobicContact CE1-CG2 3.6Å; F38-I74 HydrophobicContact CZ-CG2 3.84Å; F38-L75 HydrophobicContact CD1-CD2 4.4Å; F38-K78 HydrophobicContact CD1-CB 4.05Å; F38-K78 HydrophobicContact CD1-CG 3.97Å; F38-K78 HydrophobicContact CE1-CB 3.49Å; F38-K78 VanDerWaalsContact CE1-CB 3.49Å; F38-K78 HydrophobicContact CE1-CD 4.27Å; F38-K78 HydrophobicContact CE1-CG 3.75Å; F38-K78 HydrophobicContact CE2-CD 4.08Å; F38-K78 HydrophobicContact CE2-CG 4.34Å; F38-K78 HydrophobicContact CG-CG 4.37Å; F38-K78 HydrophobicContact CZ-CB 3.92Å; F38-K78 HydrophobicContact CZ-CD 3.94Å; F38-K78 HydrophobicContact CZ-CG 3.96Å; F38-L80 HydrophobicContact CB-CD1 4.19Å; F38-L80 HydrophobicContact CD1-CD1 3.91Å; F38-L80 HydrophobicContact CG-CD1 4.33Å |
| 39 | K | 95.9 | Very high | 95 | Very high | 121 Ų | 121 | 63.7 Ų | 63.7 | 53% | 0.526 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.4 | -45.3 | 177 | -173.9 | 178 | -176.4 | 176.7 | 0 | 111.5 | E35 Q36 K43 | E35-K39 WeakPolarHBondContact O-CB 3.48Å; E35-K39 PolarHBondContact O-N 2.95Å; Q36-K39 PolarHBondContact O-N 2.73Å; K39-K43 WeakPolarHBondContact O-CG 3.13Å; K39-K43 PolarHBondContact O-N 3.28Å |
| 40 | L | 95.8 | Very high | 95.1 | Very high | 14 Ų | 14 | 60.2 Ų | 60.2 | 7% | 0.073 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -69.9 | -37.7 | 178.7 | -66.6 | 170.6 | 0 | 0 | 0 | 112 | Q36 I37 K43 L45 I50 I53 L54 | Q36-L40 WeakPolarHBondContact O-CB 3.44Å; Q36-L40 VanDerWaalsContact O-CG 3.27Å; Q36-L40 WeakPolarHBondContact O-CG 3.31Å; Q36-L40 PolarHBondContact O-N 2.92Å; I37-L40 PolarHBondContact O-N 3.01Å; L40-K43 WeakPolarHBondContact O-CB 2.93Å; L40-K43 PolarHBondContact O-N 3.31Å; L40-L45 HydrophobicContact CB-CD1 4.07Å; L40-L45 HydrophobicContact CD2-CD1 3.74Å; L40-L45 HydrophobicContact CG-CD1 4.46Å; L40-L45 WeakPolarHBondContact O-CB 3.43Å; L40-L45 PolarHBondContact O-N 3.41Å; L40-I50 HydrophobicContact CB-CD1 4.26Å; L40-I50 HydrophobicContact CB-CG1 3.82Å; L40-I50 HydrophobicContact CD1-CG2 4.11Å; L40-I53 HydrophobicContact CD1-CB 4.36Å; L40-I53 HydrophobicContact CD1-CG2 4Å; L40-I53 HydrophobicContact CD2-CD1 4.29Å; L40-I53 HydrophobicContact CD2-CG2 4.36Å; L40-L54 HydrophobicContact CD1-CG 4.49Å |
| 41 | A | 95.1 | Very high | 95.1 | Very high | 19 Ų | 19 | 59.4 Ų | 59.4 | 16% | 0.157 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.5 | -39.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | I37 F38 K43 G44 I50 L75 | I37-A41 VanDerWaalsContact O-CB 3.28Å; I37-A41 WeakPolarHBondContact O-CB 3.37Å; I37-A41 PolarHBondContact O-N 3.13Å; F38-A41 PolarHBondContact O-N 3.39Å; A41-K43 PolarHBondContact O-N 3.1Å; A41-G44 WeakPolarHBondContact O-CA 3.49Å; A41-G44 PolarHBondContact O-N 2.93Å; A41-I50 HydrophobicContact CB-CD1 4.02Å; A41-L75 HydrophobicContact CB-CD2 3.46Å; A41-L75 VanDerWaalsContact CB-CD2 3.46Å |
| 42 | K | 94.4 | Very high | 95.2 | Very high | 162 Ų | 162 | 58.2 Ų | 58.2 | 70% | 0.704 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -63 | -23.8 | 173.5 | -75.5 | 178.9 | 178.5 | -174.4 | 0 | 113.3 | F38 G44 | F38-K42 WeakPolarHBondContact O-CB 3.33Å; F38-K42 WeakPolarHBondContact O-CG 3.41Å; F38-K42 PolarHBondContact O-N 3.24Å; K42-G44 PolarHBondContact O-N 2.91Å |
| 43 | K | 94.9 | Very high | 95.3 | Very high | 148 Ų | 148 | 57.7 Ų | 57.7 | 64% | 0.643 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | 0.3 | 170.7 | -67 | 179.2 | 176.6 | -170.1 | 0 | 113.3 | K39 L40 A41 L45 | K39-K43 WeakPolarHBondContact O-CG 3.13Å; K39-K43 PolarHBondContact O-N 3.28Å; L40-K43 WeakPolarHBondContact O-CB 2.93Å; L40-K43 PolarHBondContact O-N 3.31Å; A41-K43 PolarHBondContact O-N 3.1Å; K43-L45 HydrophobicContact CB-CG 4.47Å |
| 44 | G | 91.9 | Very high | 95.3 | Very high | 63 Ų | 63 | 57.8 Ų | 57.8 | 65% | 0.649 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.8 | 14.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | A41 K42 | A41-G44 WeakPolarHBondContact O-CA 3.49Å; A41-G44 PolarHBondContact O-N 2.93Å; K42-G44 PolarHBondContact O-N 2.91Å |
| 45 | L | 94.8 | Very high | 95.4 | Very high | 50 Ų | 50 | 60.9 Ų | 60.9 | 26% | 0.262 | 32% | 0.317 | S | S | . | . | trans | -78 | 143.4 | 179.5 | -62.5 | 175.8 | 0 | 0 | 0 | 111.9 | L40 K43 I50 I53 | L40-L45 HydrophobicContact CB-CD1 4.07Å; L40-L45 HydrophobicContact CD2-CD1 3.74Å; L40-L45 HydrophobicContact CG-CD1 4.46Å; L40-L45 WeakPolarHBondContact O-CB 3.43Å; L40-L45 PolarHBondContact O-N 3.41Å; K43-L45 HydrophobicContact CB-CG 4.47Å; L45-I50 HydrophobicContact CB-CG1 3.96Å; L45-I53 HydrophobicContact CD1-CD1 3.57Å | ||
| 46 | T | 94.3 | Very high | 95.4 | Very high | 28 Ų | 28 | 59.3 Ų | 59.3 | 17% | 0.172 | 31% | 0.313 | C | S | . | . | trans | -77 | 155.5 | -179.4 | 75.6 | 0 | 0 | 0 | 0 | 111.7 | S48 Q49 I50 E86 | T46-S48 PolarHBondContact O-N 2.91Å; T46-S48 VanDerWaalsContact O-N 3.13Å; T46-Q49 VanDerWaalsContact N-OE1 3.14Å; T46-Q49 PolarHBondContact O-N 3.11Å; T46-Q49 WeakPolarHBondContact OG1-CG 3.28Å; T46-Q49 PolarHBondContact OG1-N 3.3Å; T46-I50 VanDerWaalsContact O-CG1 3.3Å; T46-I50 WeakPolarHBondContact O-CG1 3.22Å; T46-I50 PolarHBondContact O-N 3.48Å; T46-E86 VanDerWaalsContact CB-CD 3.42Å; T46-E86 WeakPolarHBondContact CB-OE1 3.46Å; T46-E86 HydrophobicContact CG2-CG 4.36Å; T46-E86 PolarHBondContact OG1-OE1 3.1Å | ||
| 47 | P | 95.1 | Very high | 95.3 | Very high | 16 Ų | 16 | 60.9 Ų | 60.9 | 10% | 0.104 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -51.6 | -37.3 | 176.4 | -28.5 | 35.4 | 0 | 0 | 0 | 113.8 | G51 I71 L75 E86 | P47-G51 PolarHBondContact O-N 2.89Å; P47-G51 VanDerWaalsContact O-N 3.1Å; P47-I71 HydrophobicContact CB-CG2 3.89Å; P47-L75 HydrophobicContact CG-CD1 3.99Å; P47-E86 WeakPolarHBondContact CD-OE2 3.43Å |
| 48 | S | 94.8 | Very high | 95.2 | Very high | 73 Ų | 73 | 64.1 Ų | 64.1 | 51% | 0.51 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.5 | -45.4 | 176.9 | -56.3 | 0 | 0 | 0 | 0 | 112.1 | T46 G51 V52 E86 | T46-S48 PolarHBondContact O-N 2.91Å; T46-S48 VanDerWaalsContact O-N 3.13Å; S48-G51 PolarHBondContact O-N 2.83Å; S48-V52 WeakPolarHBondContact O-CG2 3.45Å; S48-V52 PolarHBondContact O-N 3.19Å; S48-E86 WeakPolarHBondContact CB-OE1 3.27Å; S48-E86 PolarHBondContact N-OE2 3.03Å; S48-E86 PolarHBondContact OG-OE1 3.49Å; S48-E86 VanDerWaalsContact OG-OE1 3.04Å; S48-E86 PolarHBondContact OG-OE2 3.05Å |
| 49 | Q | 95 | Very high | 95 | Very high | 92 Ų | 92 | 63.7 Ų | 63.7 | 43% | 0.43 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.8 | -40.7 | 176.8 | -68.5 | 174.3 | -37.4 | 0 | 0 | 112.2 | T46 G51 V52 I53 | T46-Q49 VanDerWaalsContact N-OE1 3.14Å; T46-Q49 PolarHBondContact O-N 3.11Å; T46-Q49 WeakPolarHBondContact OG1-CG 3.28Å; T46-Q49 PolarHBondContact OG1-N 3.3Å; Q49-G51 VanDerWaalsContact C-N 3.3Å; Q49-G51 PolarHBondContact O-N 3.47Å; Q49-V52 WeakPolarHBondContact O-CB 3.47Å; Q49-V52 PolarHBondContact O-N 2.91Å; Q49-V52 VanDerWaalsContact O-N 3.13Å; Q49-I53 WeakPolarHBondContact O-CG1 3.38Å; Q49-I53 PolarHBondContact O-N 3.45Å |
| 50 | I | 96.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57.3 | -46.4 | 176.1 | -68 | 171.1 | 0 | 0 | 0 | 110.2 | I37 L40 A41 L45 T46 V52 I53 L54 I71 | I37-I50 HydrophobicContact CB-CG2 4.46Å; I37-I50 HydrophobicContact CG1-CG2 3.99Å; I37-I50 HydrophobicContact CG2-CG2 4.44Å; L40-I50 HydrophobicContact CB-CD1 4.26Å; L40-I50 HydrophobicContact CB-CG1 3.82Å; L40-I50 HydrophobicContact CD1-CG2 4.11Å; A41-I50 HydrophobicContact CB-CD1 4.02Å; L45-I50 HydrophobicContact CB-CG1 3.96Å; T46-I50 VanDerWaalsContact O-CG1 3.3Å; T46-I50 WeakPolarHBondContact O-CG1 3.22Å; T46-I50 PolarHBondContact O-N 3.48Å; I50-V52 VanDerWaalsContact C-N 3.3Å; I50-V52 PolarHBondContact O-N 3.29Å; I50-I53 PolarHBondContact O-N 3.37Å; I50-L54 HydrophobicContact CG2-CD1 3.83Å; I50-L54 HydrophobicContact CG2-CG 4.36Å; I50-L54 WeakPolarHBondContact O-CB 3.33Å; I50-L54 VanDerWaalsContact O-CG 3.3Å; I50-L54 WeakPolarHBondContact O-CG 3.32Å; I50-L54 PolarHBondContact O-N 2.66Å; I50-I71 HydrophobicContact CG2-CD1 4.39Å; I50-I71 HydrophobicContact CG2-CG2 4.35Å |
| 51 | G | 95.8 | Very high | 94.8 | Very high | 23 Ų | 23 | 60.5 Ų | 60.5 | 24% | 0.237 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.6 | -38 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | P47 S48 Q49 R55 | P47-G51 PolarHBondContact O-N 2.89Å; P47-G51 VanDerWaalsContact O-N 3.1Å; S48-G51 PolarHBondContact O-N 2.83Å; Q49-G51 VanDerWaalsContact C-N 3.3Å; Q49-G51 PolarHBondContact O-N 3.47Å; G51-R55 WeakPolarHBondContact O-CB 3.01Å; G51-R55 PolarHBondContact O-N 3.47Å; G51-R55 VanDerWaalsContact O-N 3.09Å |
| 52 | V | 96.9 | Very high | 94.8 | Very high | 63 Ų | 63 | 63.1 Ų | 63.1 | 38% | 0.382 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.1 | -47.8 | 176.5 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | S48 Q49 I50 L54 R55 D56 | S48-V52 WeakPolarHBondContact O-CG2 3.45Å; S48-V52 PolarHBondContact O-N 3.19Å; Q49-V52 WeakPolarHBondContact O-CB 3.47Å; Q49-V52 PolarHBondContact O-N 2.91Å; Q49-V52 VanDerWaalsContact O-N 3.13Å; I50-V52 VanDerWaalsContact C-N 3.3Å; I50-V52 PolarHBondContact O-N 3.29Å; V52-L54 VanDerWaalsContact C-N 3.34Å; V52-L54 PolarHBondContact O-N 3.18Å; V52-R55 PolarHBondContact O-N 2.66Å; V52-D56 VanDerWaalsContact CG1-OD2 3.26Å; V52-D56 WeakPolarHBondContact CG1-OD2 3.44Å; V52-D56 WeakPolarHBondContact O-CB 3.14Å; V52-D56 PolarHBondContact O-N 2.97Å |
| 53 | I | 96.9 | Very high | 94.8 | Very high | 51 Ų | 51 | 56 Ų | 56 | 26% | 0.262 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.6 | -40.3 | 179.8 | -67.7 | 167.4 | 0 | 0 | 0 | 111.8 | L40 L45 Q49 I50 R55 S57 H58 | L40-I53 HydrophobicContact CD1-CB 4.36Å; L40-I53 HydrophobicContact CD1-CG2 4Å; L40-I53 HydrophobicContact CD2-CD1 4.29Å; L40-I53 HydrophobicContact CD2-CG2 4.36Å; L45-I53 HydrophobicContact CD1-CD1 3.57Å; Q49-I53 WeakPolarHBondContact O-CG1 3.38Å; Q49-I53 PolarHBondContact O-N 3.45Å; I50-I53 PolarHBondContact O-N 3.37Å; I53-R55 VanDerWaalsContact C-N 3.31Å; I53-R55 PolarHBondContact O-N 3.44Å; I53-S57 WeakPolarHBondContact O-CB 3.49Å; I53-S57 PolarHBondContact O-N 3.06Å; I53-H58 PolarHBondContact O-ND1 3.4Å |
| 54 | L | 95.8 | Very high | 94.9 | Very high | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65 | -37.4 | 176.7 | -73 | 175 | 0 | 0 | 0 | 111.7 | Q36 I37 L40 I50 V52 H58 G59 V60 V63 | Q36-L54 HydrophobicContact CB-CD2 4.07Å; I37-L54 HydrophobicContact CD1-CD1 4.2Å; I37-L54 HydrophobicContact CG1-CD1 3.65Å; L40-L54 HydrophobicContact CD1-CG 4.49Å; I50-L54 HydrophobicContact CG2-CD1 3.83Å; I50-L54 HydrophobicContact CG2-CG 4.36Å; I50-L54 WeakPolarHBondContact O-CB 3.33Å; I50-L54 VanDerWaalsContact O-CG 3.3Å; I50-L54 WeakPolarHBondContact O-CG 3.32Å; I50-L54 PolarHBondContact O-N 2.66Å; V52-L54 VanDerWaalsContact C-N 3.34Å; V52-L54 PolarHBondContact O-N 3.18Å; L54-H58 HydrophobicContact CD2-CB 4.49Å; L54-H58 CarbonylContact O-C 3.58Å; L54-H58 WeakPolarHBondContact O-CB 3.28Å; L54-H58 PolarHBondContact O-N 3.21Å; L54-G59 PolarHBondContact O-N 3.21Å; L54-V60 HydrophobicContact CB-CB 4.17Å; L54-V60 PolarHBondContact O-N 2.97Å; L54-V63 HydrophobicContact CD1-CG2 3.63Å |
| 55 | R | 96 | Very high | 95 | Very high | 124 Ų | 124 | 53.1 Ų | 53.1 | 47% | 0.468 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -69.7 | -50 | 176.1 | -174.9 | -168.3 | 68.2 | -162.3 | -5.3 | 111.8 | G51 V52 I53 G59 V60 | G51-R55 WeakPolarHBondContact O-CB 3.01Å; G51-R55 PolarHBondContact O-N 3.47Å; G51-R55 VanDerWaalsContact O-N 3.09Å; V52-R55 PolarHBondContact O-N 2.66Å; I53-R55 VanDerWaalsContact C-N 3.31Å; I53-R55 PolarHBondContact O-N 3.44Å; R55-G59 PolarHBondContact O-N 3.14Å; R55-V60 WeakPolarHBondContact CA-O 3.45Å |
| 56 | D | 95.9 | Very high | 95 | Very high | 99 Ų | 99 | 51.9 Ų | 51.9 | 53% | 0.529 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -82.1 | -36.7 | -167 | -64.4 | -10.2 | 0 | 0 | 0 | 112.4 | V52 | V52-D56 VanDerWaalsContact CG1-OD2 3.26Å; V52-D56 WeakPolarHBondContact CG1-OD2 3.44Å; V52-D56 WeakPolarHBondContact O-CB 3.14Å; V52-D56 PolarHBondContact O-N 2.97Å |
| 57 | S | 93.9 | Very high | 94.9 | Very high | 96 Ų | 96 | 51.4 Ų | 51.4 | 67% | 0.671 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -103.1 | -26.9 | -176.5 | -50.9 | 0 | 0 | 0 | 0 | 114.2 | I53 | I53-S57 WeakPolarHBondContact O-CB 3.49Å; I53-S57 PolarHBondContact O-N 3.06Å |
| 58 | H | 93.2 | Very high | 94.9 | Very high | 67 Ų | 67 | 53.3 Ų | 53.3 | 31% | 0.31 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -111.9 | -2.2 | -174.2 | -57.6 | 75.2 | 0 | 0 | 0 | 113.4 | L28 I53 L54 V60 | L28-H58 HydrophobicContact CD1-CB 4.29Å; I53-H58 PolarHBondContact O-ND1 3.4Å; L54-H58 HydrophobicContact CD2-CB 4.49Å; L54-H58 CarbonylContact O-C 3.58Å; L54-H58 WeakPolarHBondContact O-CB 3.28Å; L54-H58 PolarHBondContact O-N 3.21Å; H58-V60 HydrophobicContact CB-CG2 4.21Å; H58-V60 PolarHBondContact O-N 3.1Å |
| 59 | G | 92.9 | Very high | 94.9 | Very high | 27 Ų | 27 | 52.7 Ų | 52.7 | 28% | 0.278 | 30% | 0.3 | S | S | . | . | trans | 69.4 | 10.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | W25 L54 R55 A61 | W25-G59 WeakPolarHBondContact CH2-O 3.42Å; L54-G59 PolarHBondContact O-N 3.21Å; R55-G59 PolarHBondContact O-N 3.14Å; G59-A61 PolarHBondContact O-N 3.26Å; G59-A61 VanDerWaalsContact O-N 3.1Å | ||
| 60 | V | 94.1 | Very high | 94.9 | Very high | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.012 | 31% | 0.309 | C | S | . | . | trans | -83.1 | 89.7 | 179.3 | -178.1 | 0 | 0 | 0 | 0 | 109.3 | L26 L28 V33 L54 R55 H58 Q62 V63 V66 | L26-V60 HydrophobicContact CD1-CG2 4.26Å; L26-V60 HydrophobicContact CD2-CG2 4.44Å; L28-V60 HydrophobicContact CD1-CG2 3.7Å; V33-V60 HydrophobicContact CG2-CG2 4.12Å; L54-V60 HydrophobicContact CB-CB 4.17Å; L54-V60 PolarHBondContact O-N 2.97Å; R55-V60 WeakPolarHBondContact CA-O 3.45Å; H58-V60 HydrophobicContact CB-CG2 4.21Å; H58-V60 PolarHBondContact O-N 3.1Å; V60-Q62 PolarHBondContact O-N 2.89Å; V60-V63 HydrophobicContact CG1-CG2 4.18Å; V60-V66 HydrophobicContact CG1-CG2 4.09Å | ||
| 61 | A | 92.4 | Very high | 94.9 | Very high | 65 Ų | 65 | 56.2 Ų | 56.2 | 54% | 0.537 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -60.5 | -41.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | G59 | G59-A61 PolarHBondContact O-N 3.26Å; G59-A61 VanDerWaalsContact O-N 3.1Å |
| 62 | Q | 95.4 | Very high | 94.8 | Very high | 74 Ų | 74 | 58.8 Ų | 58.8 | 35% | 0.346 | 32% | 0.323 | S | S | . | . | trans | -143.6 | 108.1 | 179.6 | -76.3 | -62.6 | -58.2 | 0 | 0 | 111 | L16 V60 R64 F65 | L16-Q62 VanDerWaalsContact CD2-CD 3.49Å; L16-Q62 HydrophobicContact CD2-CG 3.74Å; V60-Q62 PolarHBondContact O-N 2.89Å; Q62-R64 PolarHBondContact O-N 3.32Å; Q62-R64 VanDerWaalsContact O-N 3.14Å; Q62-F65 HydrophobicContact CB-CB 4.33Å; Q62-F65 HydrophobicContact CB-CD2 3.4Å; Q62-F65 VanDerWaalsContact CB-CD2 3.4Å; Q62-F65 HydrophobicContact CB-CE2 3.76Å; Q62-F65 HydrophobicContact CB-CG 3.88Å; Q62-F65 HydrophobicContact CG-CD2 3.9Å; Q62-F65 HydrophobicContact CG-CE2 3.7Å; Q62-F65 HydrophobicContact CG-CZ 4.38Å; Q62-F65 PolarHBondContact O-N 3.19Å | ||
| 63 | V | 95.3 | Very high | 94.7 | Very high | 12 Ų | 12 | 63.2 Ų | 63.2 | 7% | 0.073 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -54.5 | -36.1 | 177.6 | 176.4 | 0 | 0 | 0 | 0 | 112.4 | V33 I37 L54 V60 F65 V66 T67 I71 I74 | V33-V63 HydrophobicContact CG1-CG1 4.23Å; I37-V63 HydrophobicContact CD1-CG1 3.63Å; L54-V63 HydrophobicContact CD1-CG2 3.63Å; V60-V63 HydrophobicContact CG1-CG2 4.18Å; V63-F65 VanDerWaalsContact C-N 3.28Å; V63-F65 PolarHBondContact O-N 2.89Å; V63-V66 PolarHBondContact O-N 3.43Å; V63-T67 HydrophobicContact CG1-CG2 4.14Å; V63-T67 PolarHBondContact O-N 3.45Å; V63-T67 PolarHBondContact O-OG1 3.01Å; V63-I71 HydrophobicContact CB-CD1 4.5Å; V63-I71 HydrophobicContact CB-CG1 4.08Å; V63-I71 HydrophobicContact CG1-CG1 3.97Å; V63-I71 HydrophobicContact CG2-CD1 4Å; V63-I71 HydrophobicContact CG2-CG1 3.98Å; V63-I74 HydrophobicContact CG1-CD1 3.9Å |
| 64 | R | 95.9 | Very high | 94.7 | Very high | 103 Ų | 103 | 61.3 Ų | 61.3 | 39% | 0.389 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61 | -35 | 179 | -178 | 178 | 63.6 | 170.6 | -3.3 | 112.8 | Q62 G68 N69 | Q62-R64 PolarHBondContact O-N 3.32Å; Q62-R64 VanDerWaalsContact O-N 3.14Å; R64-G68 CarbonylContact O-C 3.36Å; R64-G68 WeakPolarHBondContact O-CA 3.4Å; R64-G68 PolarHBondContact O-N 3.44Å; R64-N69 WeakPolarHBondContact CA-O 3.46Å |
| 65 | F | 94.4 | Very high | 94.6 | Very high | 48 Ų | 48 | 61.3 Ų | 61.3 | 21% | 0.211 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -77.6 | -29.9 | -177.9 | -60.9 | -23.4 | 0 | 0 | 0 | 112.1 | R20 V22 Q62 V63 | R20-F65 HydrophobicContact CB-CD1 4.04Å; R20-F65 HydrophobicContact CB-CD2 4.49Å; R20-F65 HydrophobicContact CB-CE1 3.78Å; R20-F65 HydrophobicContact CB-CE2 4.26Å; R20-F65 HydrophobicContact CB-CG 4.41Å; R20-F65 HydrophobicContact CB-CZ 3.91Å; R20-F65 HydrophobicContact CG-CE1 3.82Å; R20-F65 HydrophobicContact CG-CE2 4.34Å; R20-F65 HydrophobicContact CG-CZ 3.7Å; R20-F65 WeakPolarHBondContact O-CB 3.43Å; R20-F65 VanDerWaalsContact O-CG 3.32Å; R20-F65 WeakPolarHBondContact O-CG 3.32Å; V22-F65 WeakPolarHBondContact CG2-O 3.19Å; Q62-F65 HydrophobicContact CB-CB 4.33Å; Q62-F65 HydrophobicContact CB-CD2 3.4Å; Q62-F65 VanDerWaalsContact CB-CD2 3.4Å; Q62-F65 HydrophobicContact CB-CE2 3.76Å; Q62-F65 HydrophobicContact CB-CG 3.88Å; Q62-F65 HydrophobicContact CG-CD2 3.9Å; Q62-F65 HydrophobicContact CG-CE2 3.7Å; Q62-F65 HydrophobicContact CG-CZ 4.38Å; Q62-F65 PolarHBondContact O-N 3.19Å; V63-F65 VanDerWaalsContact C-N 3.28Å; V63-F65 PolarHBondContact O-N 2.89Å |
| 66 | V | 94.1 | Very high | 94.5 | Very high | 25 Ų | 25 | 61 Ų | 61 | 15% | 0.152 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -81.5 | -42.2 | 177.4 | -173.7 | 0 | 0 | 0 | 0 | 111.9 | V22 L26 V33 V60 V63 | V22-V66 HydrophobicContact CG1-CG2 4.27Å; V22-V66 HydrophobicContact CG2-CB 4.41Å; V22-V66 HydrophobicContact CG2-CG2 3.98Å; L26-V66 HydrophobicContact CD2-CG2 3.78Å; V33-V66 HydrophobicContact CG2-CG1 3.97Å; V60-V66 HydrophobicContact CG1-CG2 4.09Å; V63-V66 PolarHBondContact O-N 3.43Å |
| 67 | T | 93.6 | Very high | 94.4 | Very high | 17 Ų | 17 | 62.1 Ų | 62.1 | 10% | 0.104 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -106.4 | -7.6 | -169.8 | 65.4 | 0 | 0 | 0 | 0 | 114.7 | V33 K34 V63 N69 I74 | V33-T67 HydrophobicContact CB-CG2 3.99Å; V33-T67 HydrophobicContact CG1-CG2 3.76Å; K34-T67 HydrophobicContact CG-CG2 4.37Å; V63-T67 HydrophobicContact CG1-CG2 4.14Å; V63-T67 PolarHBondContact O-N 3.45Å; V63-T67 PolarHBondContact O-OG1 3.01Å; T67-N69 PolarHBondContact O-N 3.2Å; T67-N69 VanDerWaalsContact O-N 3.16Å; T67-N69 PolarHBondContact OG1-N 2.93Å; T67-N69 PolarHBondContact OG1-O 3.31Å; T67-N69 VanDerWaalsContact OG1-O 3.1Å; T67-I74 HydrophobicContact CG2-CD1 4.31Å; T67-I74 WeakPolarHBondContact OG1-CD1 3.4Å |
| 68 | G | 93.6 | Very high | 94.3 | Very high | 56 Ų | 56 | 63.9 Ų | 63.9 | 58% | 0.577 | 33% | 0.331 | S | S | * | . | S | Bend | trans | 76.6 | -15.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | R64 | R64-G68 CarbonylContact O-C 3.36Å; R64-G68 WeakPolarHBondContact O-CA 3.4Å; R64-G68 PolarHBondContact O-N 3.44Å |
| 69 | N | 95 | Very high | 94.3 | Very high | 61 Ų | 61 | 63.9 Ų | 63.9 | 33% | 0.326 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -126.3 | 161.1 | -176.8 | -76.6 | -54 | 0 | 0 | 0 | 112.7 | R64 T67 R73 I74 | R64-N69 WeakPolarHBondContact CA-O 3.46Å; T67-N69 PolarHBondContact O-N 3.2Å; T67-N69 VanDerWaalsContact O-N 3.16Å; T67-N69 PolarHBondContact OG1-N 2.93Å; T67-N69 PolarHBondContact OG1-O 3.31Å; T67-N69 VanDerWaalsContact OG1-O 3.1Å; N69-R73 WeakPolarHBondContact OD1-CD 3.3Å; N69-R73 PolarHBondContact OD1-NH1 3.45Å; N69-I74 HydrophobicContact CB-CG1 4.1Å |
| 70 | K | 95.9 | Very high | 94.2 | Very high | 141 Ų | 141 | 65.4 Ų | 65.4 | 61% | 0.613 | 35% | 0.351 | S | S | * | . | trans | -81.4 | 154.6 | 174.9 | -64.4 | -176.4 | -179.5 | -178.3 | 0 | 110.8 | L72 R73 I74 | K70-L72 VanDerWaalsContact C-N 3.33Å; K70-L72 PolarHBondContact O-N 3.46Å; K70-R73 WeakPolarHBondContact O-CB 3.16Å; K70-R73 PolarHBondContact O-N 2.93Å; K70-I74 PolarHBondContact O-N 2.99Å; K70-I74 VanDerWaalsContact O-N 3.1Å | ||
| 71 | I | 95.2 | Very high | 94.1 | Very high | 24 Ų | 24 | 66.7 Ų | 66.7 | 12% | 0.123 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -49 | -50.9 | -179.6 | -65 | 163 | 0 | 0 | 0 | 112 | I37 P47 I50 V63 R73 I74 L75 | I37-I71 HydrophobicContact CD1-CG1 4.33Å; I37-I71 HydrophobicContact CG2-CG2 4.18Å; P47-I71 HydrophobicContact CB-CG2 3.89Å; I50-I71 HydrophobicContact CG2-CD1 4.39Å; I50-I71 HydrophobicContact CG2-CG2 4.35Å; V63-I71 HydrophobicContact CB-CD1 4.5Å; V63-I71 HydrophobicContact CB-CG1 4.08Å; V63-I71 HydrophobicContact CG1-CG1 3.97Å; V63-I71 HydrophobicContact CG2-CD1 4Å; V63-I71 HydrophobicContact CG2-CG1 3.98Å; I71-R73 PolarHBondContact O-N 2.87Å; I71-I74 WeakPolarHBondContact O-CB 3.3Å; I71-I74 PolarHBondContact O-N 3.06Å; I71-I74 VanDerWaalsContact O-N 3.1Å; I71-L75 HydrophobicContact CG2-CD1 4.02Å; I71-L75 HydrophobicContact CG2-CG 4.33Å; I71-L75 WeakPolarHBondContact O-CG 3.5Å; I71-L75 PolarHBondContact O-N 2.83Å |
| 72 | L | 95 | Very high | 93.9 | Very high | 77 Ų | 77 | 66.6 Ų | 66.6 | 40% | 0.403 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.3 | -30.9 | -178.9 | -171.1 | 128.9 | 0 | 0 | 0 | 113.3 | K70 K76 | K70-L72 VanDerWaalsContact C-N 3.33Å; K70-L72 PolarHBondContact O-N 3.46Å; L72-K76 HydrophobicContact CD2-CD 4.11Å; L72-K76 WeakPolarHBondContact O-CG 3.44Å; L72-K76 PolarHBondContact O-N 3.26Å; L72-K76 VanDerWaalsContact O-N 3.13Å |
| 73 | R | 94.9 | Very high | 93.6 | Very high | 156 Ų | 156 | 70.7 Ų | 70.7 | 59% | 0.589 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -73.5 | -41.6 | 175.4 | -171.3 | 171.3 | -175.6 | 178.3 | 9.6 | 111.3 | N69 K70 I71 L75 K76 T77 | N69-R73 WeakPolarHBondContact OD1-CD 3.3Å; N69-R73 PolarHBondContact OD1-NH1 3.45Å; K70-R73 WeakPolarHBondContact O-CB 3.16Å; K70-R73 PolarHBondContact O-N 2.93Å; I71-R73 PolarHBondContact O-N 2.87Å; R73-L75 VanDerWaalsContact C-N 3.31Å; R73-L75 PolarHBondContact O-N 2.96Å; R73-K76 PolarHBondContact O-N 2.77Å; R73-T77 PolarHBondContact O-N 2.96Å; R73-T77 PolarHBondContact O-OG1 3.39Å |
| 74 | I | 95.3 | Very high | 93.4 | Very high | 11 Ų | 11 | 71.3 Ų | 71.3 | 6% | 0.056 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -59 | -44.3 | 175.7 | -64.3 | 167.1 | 0 | 0 | 0 | 110.3 | K34 I37 F38 V63 T67 N69 K70 I71 T77 K78 | K34-I74 HydrophobicContact CB-CG2 4.45Å; K34-I74 HydrophobicContact CG-CG2 4.11Å; I37-I74 HydrophobicContact CD1-CD1 3.82Å; I37-I74 HydrophobicContact CD1-CG2 4.48Å; I37-I74 HydrophobicContact CG2-CG2 4.24Å; F38-I74 HydrophobicContact CE1-CG2 3.6Å; F38-I74 HydrophobicContact CZ-CG2 3.84Å; V63-I74 HydrophobicContact CG1-CD1 3.9Å; T67-I74 HydrophobicContact CG2-CD1 4.31Å; T67-I74 WeakPolarHBondContact OG1-CD1 3.4Å; N69-I74 HydrophobicContact CB-CG1 4.1Å; K70-I74 PolarHBondContact O-N 2.99Å; K70-I74 VanDerWaalsContact O-N 3.1Å; I71-I74 WeakPolarHBondContact O-CB 3.3Å; I71-I74 PolarHBondContact O-N 3.06Å; I71-I74 VanDerWaalsContact O-N 3.1Å; I74-T77 PolarHBondContact O-N 3.08Å; I74-K78 PolarHBondContact O-N 3.44Å |
| 75 | L | 95.2 | Very high | 93.3 | Very high | 3 Ų | 3 | 67 Ų | 67 | 2% | 0.016 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.3 | -41.2 | 176.7 | -65.8 | 177 | 0 | 0 | 0 | 112.6 | I37 F38 A41 P47 I71 R73 T77 K78 G79 L80 A81 | I37-L75 HydrophobicContact CG2-CD2 3.67Å; I37-L75 HydrophobicContact CG2-CG 4.17Å; F38-L75 HydrophobicContact CD1-CD2 4.4Å; A41-L75 HydrophobicContact CB-CD2 3.46Å; A41-L75 VanDerWaalsContact CB-CD2 3.46Å; P47-L75 HydrophobicContact CG-CD1 3.99Å; I71-L75 HydrophobicContact CG2-CD1 4.02Å; I71-L75 HydrophobicContact CG2-CG 4.33Å; I71-L75 WeakPolarHBondContact O-CG 3.5Å; I71-L75 PolarHBondContact O-N 2.83Å; R73-L75 VanDerWaalsContact C-N 3.31Å; R73-L75 PolarHBondContact O-N 2.96Å; L75-T77 PolarHBondContact O-N 3.26Å; L75-K78 PolarHBondContact O-N 3.1Å; L75-G79 PolarHBondContact O-N 3.46Å; L75-G79 VanDerWaalsContact O-N 3.11Å; L75-L80 HydrophobicContact CD2-CB 4.2Å; L75-L80 PolarHBondContact O-N 2.92Å; L75-A81 HydrophobicContact CB-CB 4.37Å |
| 76 | K | 94 | Very high | 93.3 | Very high | 116 Ų | 116 | 66.5 Ų | 66.5 | 50% | 0.504 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.4 | -42.3 | 176.3 | -78.9 | -178.4 | 175.9 | -169.8 | 0 | 112.6 | L72 R73 K78 G79 A81 | L72-K76 HydrophobicContact CD2-CD 4.11Å; L72-K76 WeakPolarHBondContact O-CG 3.44Å; L72-K76 PolarHBondContact O-N 3.26Å; L72-K76 VanDerWaalsContact O-N 3.13Å; R73-K76 PolarHBondContact O-N 2.77Å; K76-K78 PolarHBondContact O-N 3.48Å; K76-G79 PolarHBondContact O-N 2.66Å; K76-G79 VanDerWaalsContact O-N 3.09Å; K76-A81 HydrophobicContact CB-CB 4.4Å; K76-A81 HydrophobicContact CG-CB 3.53Å |
| 77 | T | 93.1 | Very high | 93.3 | Very high | 123 Ų | 123 | 68.5 Ų | 68.5 | 76% | 0.755 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -60.8 | -31.3 | 177.9 | -58.7 | 0 | 0 | 0 | 0 | 112.3 | R73 I74 L75 | R73-T77 PolarHBondContact O-N 2.96Å; R73-T77 PolarHBondContact O-OG1 3.39Å; I74-T77 PolarHBondContact O-N 3.08Å; L75-T77 PolarHBondContact O-N 3.26Å |
| 78 | K | 92.4 | Very high | 93.3 | Very high | 134 Ų | 134 | 67.7 Ų | 67.7 | 58% | 0.583 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -0.6 | 178.4 | -156.9 | 72 | 177.6 | -177.3 | 0 | 113.4 | F38 I74 L75 K76 L80 | F38-K78 HydrophobicContact CD1-CB 4.05Å; F38-K78 HydrophobicContact CD1-CG 3.97Å; F38-K78 HydrophobicContact CE1-CB 3.49Å; F38-K78 VanDerWaalsContact CE1-CB 3.49Å; F38-K78 HydrophobicContact CE1-CD 4.27Å; F38-K78 HydrophobicContact CE1-CG 3.75Å; F38-K78 HydrophobicContact CE2-CD 4.08Å; F38-K78 HydrophobicContact CE2-CG 4.34Å; F38-K78 HydrophobicContact CG-CG 4.37Å; F38-K78 HydrophobicContact CZ-CB 3.92Å; F38-K78 HydrophobicContact CZ-CD 3.94Å; F38-K78 HydrophobicContact CZ-CG 3.96Å; I74-K78 PolarHBondContact O-N 3.44Å; L75-K78 PolarHBondContact O-N 3.1Å; K76-K78 PolarHBondContact O-N 3.48Å; K78-L80 VanDerWaalsContact C-N 3.27Å; K78-L80 HydrophobicContact CB-CD1 4.16Å; K78-L80 HydrophobicContact CB-CG 4.29Å; K78-L80 HydrophobicContact CG-CD1 3.81Å; K78-L80 HydrophobicContact CG-CG 4.22Å; K78-L80 PolarHBondContact O-N 3.23Å |
| 79 | G | 92.3 | Very high | 93.4 | Very high | 67 Ų | 67 | 68 Ų | 68 | 69% | 0.691 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.3 | 19.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | L75 K76 | L75-G79 PolarHBondContact O-N 3.46Å; L75-G79 VanDerWaalsContact O-N 3.11Å; K76-G79 PolarHBondContact O-N 2.66Å; K76-G79 VanDerWaalsContact O-N 3.09Å |
| 80 | L | 91.8 | Very high | 93.4 | Very high | 59 Ų | 59 | 69 Ų | 69 | 31% | 0.309 | 36% | 0.357 | S | S | . | . | trans | -104.3 | 17 | -178.8 | -64.4 | 171.6 | 0 | 0 | 0 | 112.4 | F38 L75 K78 | F38-L80 HydrophobicContact CB-CD1 4.19Å; F38-L80 HydrophobicContact CD1-CD1 3.91Å; F38-L80 HydrophobicContact CG-CD1 4.33Å; L75-L80 HydrophobicContact CD2-CB 4.2Å; L75-L80 PolarHBondContact O-N 2.92Å; K78-L80 VanDerWaalsContact C-N 3.27Å; K78-L80 HydrophobicContact CB-CD1 4.16Å; K78-L80 HydrophobicContact CB-CG 4.29Å; K78-L80 HydrophobicContact CG-CD1 3.81Å; K78-L80 HydrophobicContact CG-CG 4.22Å; K78-L80 PolarHBondContact O-N 3.23Å | ||
| 81 | A | 90.3 | Very high | 93.5 | Very high | 28 Ų | 28 | 63.4 Ų | 63.4 | 23% | 0.231 | 33% | 0.334 | C | S | . | . | trans | -79.1 | 142.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | L75 K76 | L75-A81 HydrophobicContact CB-CB 4.37Å; K76-A81 HydrophobicContact CB-CB 4.4Å; K76-A81 HydrophobicContact CG-CB 3.53Å | ||
| 82 | P | 89.7 | Confident | 93.5 | Very high | 63 Ų | 63 | 62.2 Ų | 62.2 | 41% | 0.409 | 33% | 0.328 | S | S | . | . | trans | -66.9 | 144.4 | 174.2 | 29 | -34.6 | 0 | 0 | 0 | 110.8 | L84 | P82-L84 VanDerWaalsContact C-N 3.34Š| ||
| 83 | D | 87.9 | Confident | 93.5 | Very high | 160 Ų | 160 | 63.6 Ų | 63.6 | 86% | 0.856 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -64.3 | -40.3 | 178.9 | -62.2 | -38 | 0 | 0 | 0 | 111.9 | ||
| 84 | L | 90.9 | Very high | 93.6 | Very high | 26 Ų | 26 | 61.6 Ų | 61.6 | 14% | 0.136 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -95.9 | 136.1 | 173.8 | -72.8 | 175 | 0 | 0 | 0 | 110.8 | P82 E86 L88 L135 W139 L149 | P82-L84 VanDerWaalsContact C-N 3.34Å; L84-E86 PolarHBondContact O-N 3.13Å; L84-L88 HydrophobicContact CD2-CD2 4.34Å; L84-L135 HydrophobicContact CD2-CD2 3.92Å; L84-W139 HydrophobicContact CD2-CZ2 4.14Å; L84-L149 HydrophobicContact CD1-CB 4.32Å |
| 85 | P | 94.3 | Very high | 93.6 | Very high | 13 Ų | 13 | 61 Ų | 61 | 8% | 0.084 | 32% | 0.324 | C | S | . | . | trans | -54.9 | 137.3 | 168.8 | -26.6 | 36 | 0 | 0 | 0 | 112.1 | D87 L88 Y89 Y129 V134 | P85-D87 VanDerWaalsContact C-N 3.29Å; P85-D87 WeakPolarHBondContact CB-OD1 3.45Å; P85-D87 PolarHBondContact O-N 3.09Å; P85-L88 HydrophobicContact CB-CB 4.27Å; P85-L88 WeakPolarHBondContact O-CB 3.48Å; P85-L88 PolarHBondContact O-N 3.39Å; P85-L88 VanDerWaalsContact O-N 3.08Å; P85-Y89 PolarHBondContact O-N 2.89Å; P85-Y129 HydrophobicContact CB-CD2 4.21Å; P85-Y129 HydrophobicContact CB-CE1 4.11Å; P85-Y129 HydrophobicContact CB-CE2 3.59Å; P85-Y129 HydrophobicContact CG-CD1 4.02Å; P85-Y129 HydrophobicContact CG-CD2 3.89Å; P85-Y129 HydrophobicContact CG-CE1 3.92Å; P85-Y129 HydrophobicContact CG-CE2 3.77Å; P85-Y129 HydrophobicContact CG-CG 4.01Å; P85-V134 HydrophobicContact CG-CG1 3.9Å | ||
| 86 | E | 94.3 | Very high | 93.7 | Very high | 36 Ų | 36 | 62.8 Ų | 62.8 | 17% | 0.168 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -56.5 | -41.3 | -174 | -177.9 | -177.5 | 177.7 | 0 | 0 | 112.7 | T46 P47 S48 L84 Y89 H90 | T46-E86 VanDerWaalsContact CB-CD 3.42Å; T46-E86 WeakPolarHBondContact CB-OE1 3.46Å; T46-E86 HydrophobicContact CG2-CG 4.36Å; T46-E86 PolarHBondContact OG1-OE1 3.1Å; P47-E86 WeakPolarHBondContact CD-OE2 3.43Å; S48-E86 WeakPolarHBondContact CB-OE1 3.27Å; S48-E86 PolarHBondContact N-OE2 3.03Å; S48-E86 PolarHBondContact OG-OE1 3.49Å; S48-E86 VanDerWaalsContact OG-OE1 3.04Å; S48-E86 PolarHBondContact OG-OE2 3.05Å; L84-E86 PolarHBondContact O-N 3.13Å; E86-Y89 PolarHBondContact O-N 2.99Å; E86-H90 WeakPolarHBondContact CG-ND1 3.39Å; E86-H90 PolarHBondContact O-N 3.18Å; E86-H90 PolarHBondContact O-ND1 2.9Å; E86-H90 IonicContact OE1-CE1 3.74Å |
| 87 | D | 94.5 | Very high | 93.7 | Very high | 67 Ų | 67 | 60.2 Ų | 60.2 | 36% | 0.358 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.7 | -39.7 | 178.3 | 54.7 | -11.9 | 0 | 0 | 0 | 112.4 | P85 L91 L125 Y129 | P85-D87 VanDerWaalsContact C-N 3.29Å; P85-D87 WeakPolarHBondContact CB-OD1 3.45Å; P85-D87 PolarHBondContact O-N 3.09Å; D87-L91 WeakPolarHBondContact O-CG 3.26Å; D87-L91 PolarHBondContact O-N 3.23Å; D87-L125 HydrophobicContact CB-CD2 4.25Å; D87-Y129 VanDerWaalsContact CG-OH 3.24Å; D87-Y129 WeakPolarHBondContact OD1-CE2 3.32Å; D87-Y129 PolarHBondContact OD1-OH 2.9Å; D87-Y129 PolarHBondContact OD2-OH 3.4Å |
| 88 | L | 94.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.4 | -47.6 | 174.4 | -169.2 | 55.1 | 0 | 0 | 0 | 111 | L84 P85 H90 L91 I92 I122 L125 L135 W139 | L84-L88 HydrophobicContact CD2-CD2 4.34Å; P85-L88 HydrophobicContact CB-CB 4.27Å; P85-L88 WeakPolarHBondContact O-CB 3.48Å; P85-L88 PolarHBondContact O-N 3.39Å; P85-L88 VanDerWaalsContact O-N 3.08Å; L88-H90 PolarHBondContact O-N 3.34Å; L88-L91 PolarHBondContact O-N 3.34Å; L88-I92 HydrophobicContact CD1-CD1 4.25Å; L88-I92 HydrophobicContact CD1-CG1 4.48Å; L88-I92 HydrophobicContact CG-CD1 3.92Å; L88-I92 VanDerWaalsContact O-CG1 3.32Å; L88-I92 WeakPolarHBondContact O-CG1 3.41Å; L88-I92 PolarHBondContact O-N 3.39Å; L88-I122 HydrophobicContact CD1-CG2 3.89Å; L88-L125 HydrophobicContact CB-CD2 3.62Å; L88-L125 HydrophobicContact CD1-CB 4.39Å; L88-L125 HydrophobicContact CD1-CD2 3.82Å; L88-L125 HydrophobicContact CG-CD2 4.25Å; L88-L135 HydrophobicContact CD2-CD1 3.64Å; L88-W139 HydrophobicContact CD1-CH2 4.36Å; L88-W139 HydrophobicContact CD2-CH2 3.85Å; L88-W139 HydrophobicContact CD2-CZ2 3.99Å; L88-W139 HydrophobicContact CD2-CZ3 4.42Å; L88-W139 HydrophobicContact CG-CH2 4.39Å |
| 89 | Y | 95 | Very high | 93.9 | Very high | 62 Ų | 62 | 53.3 Ų | 53.3 | 24% | 0.243 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -54.8 | -49 | 178.7 | 174.4 | -90 | 0 | 0 | 0 | 111.5 | P85 E86 L91 I92 K93 V150 | P85-Y89 PolarHBondContact O-N 2.89Å; E86-Y89 PolarHBondContact O-N 2.99Å; Y89-L91 PolarHBondContact O-N 3.42Å; Y89-I92 PolarHBondContact O-N 3.32Å; Y89-K93 HydrophobicContact CE1-CD 4.12Å; Y89-K93 WeakPolarHBondContact O-CB 3.28Å; Y89-K93 PolarHBondContact O-N 3.49Å; Y89-V150 HydrophobicContact CD1-CG1 4.36Å; Y89-V150 HydrophobicContact CD2-CB 4.4Å; Y89-V150 HydrophobicContact CD2-CG1 3.96Å; Y89-V150 HydrophobicContact CD2-CG2 4.14Å; Y89-V150 HydrophobicContact CE1-CG1 3.88Å; Y89-V150 HydrophobicContact CE2-CB 3.96Å; Y89-V150 HydrophobicContact CE2-CG1 3.47Å; Y89-V150 VanDerWaalsContact CE2-CG1 3.47Å; Y89-V150 HydrophobicContact CE2-CG2 4.2Å; Y89-V150 HydrophobicContact CG-CG1 4.39Å; Y89-V150 VanDerWaalsContact CZ-CG1 3.41Å |
| 90 | H | 95.4 | Very high | 94 | Very high | 82 Ų | 82 | 55.9 Ų | 55.9 | 38% | 0.38 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -69.5 | -30.5 | -179.1 | -73.2 | 95 | 0 | 0 | 0 | 113.7 | E86 L88 K94 | E86-H90 WeakPolarHBondContact CG-ND1 3.39Å; E86-H90 PolarHBondContact O-N 3.18Å; E86-H90 PolarHBondContact O-ND1 2.9Å; E86-H90 IonicContact OE1-CE1 3.74Å; L88-H90 PolarHBondContact O-N 3.34Å; H90-K94 WeakPolarHBondContact O-CB 3.39Å; H90-K94 PolarHBondContact O-N 2.88Å; H90-K94 VanDerWaalsContact O-N 3.08Å |
| 91 | L | 96.3 | Very high | 94.2 | Very high | 24 Ų | 24 | 56.7 Ų | 56.7 | 13% | 0.126 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68.5 | -42.5 | 172.6 | -74.1 | 174.4 | 0 | 0 | 0 | 111.2 | D87 L88 Y89 K94 A95 T118 R121 I122 L125 | D87-L91 WeakPolarHBondContact O-CG 3.26Å; D87-L91 PolarHBondContact O-N 3.23Å; L88-L91 PolarHBondContact O-N 3.34Å; Y89-L91 PolarHBondContact O-N 3.42Å; L91-K94 PolarHBondContact O-N 3.23Å; L91-A95 PolarHBondContact O-N 3.47Å; L91-T118 HydrophobicContact CD2-CG2 4.32Å; L91-R121 HydrophobicContact CD1-CB 3.91Å; L91-R121 HydrophobicContact CD2-CB 4.36Å; L91-I122 HydrophobicContact CB-CD1 4.29Å; L91-I122 HydrophobicContact CB-CG1 3.62Å; L91-I122 HydrophobicContact CD1-CG1 4.49Å; L91-L125 HydrophobicContact CD1-CD2 4.38Å |
| 92 | I | 95.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.1 | -46.6 | 175.3 | -63.9 | 168.7 | 0 | 0 | 0 | 109.9 | L88 Y89 K94 A95 V96 I122 W139 Y141 A146 V150 | L88-I92 HydrophobicContact CD1-CD1 4.25Å; L88-I92 HydrophobicContact CD1-CG1 4.48Å; L88-I92 HydrophobicContact CG-CD1 3.92Å; L88-I92 VanDerWaalsContact O-CG1 3.32Å; L88-I92 WeakPolarHBondContact O-CG1 3.41Å; L88-I92 PolarHBondContact O-N 3.39Å; Y89-I92 PolarHBondContact O-N 3.32Å; I92-K94 VanDerWaalsContact C-N 3.26Å; I92-K94 PolarHBondContact O-N 3.42Å; I92-A95 PolarHBondContact O-N 3.26Å; I92-V96 HydrophobicContact CG2-CG2 4.31Å; I92-V96 WeakPolarHBondContact O-CG2 3.37Å; I92-V96 PolarHBondContact O-N 3.18Å; I92-I122 HydrophobicContact CG1-CD1 3.98Å; I92-I122 HydrophobicContact CG1-CG1 4.34Å; I92-I122 HydrophobicContact CG1-CG2 4.22Å; I92-W139 HydrophobicContact CD1-CH2 4.15Å; I92-W139 HydrophobicContact CD1-CZ2 4.13Å; I92-Y141 HydrophobicContact CD1-CD2 4.44Å; I92-Y141 HydrophobicContact CG1-CD2 4.11Å; I92-Y141 HydrophobicContact CG1-CE2 4.18Å; I92-Y141 HydrophobicContact CG2-CE2 4.09Å; I92-A146 HydrophobicContact CG2-CB 3.88Å; I92-V150 HydrophobicContact CB-CG2 3.82Å; I92-V150 HydrophobicContact CG2-CG2 3.34Å |
| 93 | K | 95.4 | Very high | 94.7 | Very high | 105 Ų | 105 | 60.1 Ų | 60.1 | 46% | 0.457 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -51.2 | -46.4 | 174.6 | -166.5 | 159.2 | -174.4 | 164.1 | 0 | 112.2 | Y89 V96 A97 V150 | Y89-K93 HydrophobicContact CE1-CD 4.12Å; Y89-K93 WeakPolarHBondContact O-CB 3.28Å; Y89-K93 PolarHBondContact O-N 3.49Å; K93-V96 PolarHBondContact O-N 3.35Å; K93-A97 PolarHBondContact O-N 3.4Å; K93-V150 HydrophobicContact CB-CG1 3.35Å; K93-V150 HydrophobicContact CD-CG1 3.79Å; K93-V150 HydrophobicContact CG-CG1 3.62Å |
| 94 | K | 96.1 | Very high | 95.1 | Very high | 114 Ų | 114 | 61.7 Ų | 61.7 | 50% | 0.496 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.6 | -43.9 | 178.2 | -174.8 | 171.7 | -66 | -174.9 | 0 | 112 | H90 L91 I92 A97 V98 T118 | H90-K94 WeakPolarHBondContact O-CB 3.39Å; H90-K94 PolarHBondContact O-N 2.88Å; H90-K94 VanDerWaalsContact O-N 3.08Å; L91-K94 PolarHBondContact O-N 3.23Å; I92-K94 VanDerWaalsContact C-N 3.26Å; I92-K94 PolarHBondContact O-N 3.42Å; K94-A97 PolarHBondContact O-N 3.08Å; K94-V98 WeakPolarHBondContact O-CG2 3.32Å; K94-V98 PolarHBondContact O-N 3.05Å; K94-T118 HydrophobicContact CB-CG2 4.38Å; K94-T118 HydrophobicContact CD-CG2 4.44Å; K94-T118 HydrophobicContact CG-CG2 4.34Å |
| 95 | A | 96.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.2 | -42.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L91 I92 V98 R99 L115 T118 I122 | L91-A95 PolarHBondContact O-N 3.47Å; I92-A95 PolarHBondContact O-N 3.26Å; A95-V98 PolarHBondContact O-N 3.42Å; A95-R99 VanDerWaalsContact O-CB 3.31Å; A95-R99 WeakPolarHBondContact O-CB 3.21Å; A95-R99 PolarHBondContact O-N 3.22Å; A95-L115 HydrophobicContact CB-CD1 4.07Å; A95-T118 HydrophobicContact CB-CG2 4.18Å; A95-I122 HydrophobicContact CB-CD1 3.82Å |
| 96 | V | 96.3 | Very high | 95.4 | Very high | 40 Ų | 40 | 74.2 Ų | 74.2 | 24% | 0.242 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.5 | -46.1 | 175.6 | 172.8 | 0 | 0 | 0 | 0 | 111 | I92 K93 R99 K100 A146 | I92-V96 HydrophobicContact CG2-CG2 4.31Å; I92-V96 WeakPolarHBondContact O-CG2 3.37Å; I92-V96 PolarHBondContact O-N 3.18Å; K93-V96 PolarHBondContact O-N 3.35Å; V96-R99 PolarHBondContact O-N 3.35Å; V96-K100 WeakPolarHBondContact O-CB 3.42Å; V96-K100 PolarHBondContact O-N 3.04Å; V96-A146 HydrophobicContact CG2-CB 3.69Å |
| 97 | A | 95.4 | Very high | 95.5 | Very high | 61 Ų | 61 | 82.1 Ų | 82.1 | 50% | 0.504 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62 | -45.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | K93 K94 R99 K100 H101 | K93-A97 PolarHBondContact O-N 3.4Å; K94-A97 PolarHBondContact O-N 3.08Å; A97-R99 VanDerWaalsContact C-N 3.34Å; A97-R99 PolarHBondContact O-N 2.95Å; A97-K100 PolarHBondContact O-N 3.27Å; A97-H101 PolarHBondContact O-N 3.49Å |
| 98 | V | 95.6 | Very high | 95.6 | Very high | 32 Ų | 32 | 81.6 Ų | 81.6 | 19% | 0.194 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -66 | -37.6 | 178.3 | 174.8 | 0 | 0 | 0 | 0 | 111.3 | K94 A95 H101 L102 A111 L115 | K94-V98 WeakPolarHBondContact O-CG2 3.32Å; K94-V98 PolarHBondContact O-N 3.05Å; A95-V98 PolarHBondContact O-N 3.42Å; V98-H101 WeakPolarHBondContact O-CB 3.35Å; V98-H101 PolarHBondContact O-N 3.06Å; V98-L102 HydrophobicContact CG1-CD1 4.22Å; V98-L102 WeakPolarHBondContact O-CG 3.43Å; V98-L102 PolarHBondContact O-N 3.24Å; V98-A111 HydrophobicContact CG1-CB 4.39Å; V98-L115 HydrophobicContact CB-CD1 4.3Å; V98-L115 HydrophobicContact CG1-CB 3.84Å; V98-L115 HydrophobicContact CG1-CD1 4.22Å; V98-L115 HydrophobicContact CG1-CG 4.47Å |
| 99 | R | 94.6 | Very high | 95.7 | Very high | 80 Ų | 80 | 90.3 Ų | 90.3 | 30% | 0.302 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -65.3 | -46.3 | 176.8 | -174 | 170.5 | -74.2 | -101.5 | 4.3 | 111.7 | A95 V96 A97 H101 L102 E103 E119 | A95-R99 VanDerWaalsContact O-CB 3.31Å; A95-R99 WeakPolarHBondContact O-CB 3.21Å; A95-R99 PolarHBondContact O-N 3.22Å; V96-R99 PolarHBondContact O-N 3.35Å; A97-R99 VanDerWaalsContact C-N 3.34Å; A97-R99 PolarHBondContact O-N 2.95Å; R99-H101 PolarHBondContact O-N 3.48Å; R99-L102 PolarHBondContact O-N 3.07Å; R99-L102 VanDerWaalsContact O-N 3.08Å; R99-E103 WeakPolarHBondContact O-CG 3.39Å; R99-E103 PolarHBondContact O-N 2.81Å; R99-E119 IonicContact CZ-OE1 2.74Å; R99-E119 IonicContact NE-OE1 3.62Å; R99-E119 IonicContact NH2-OE1 3.14Å; R99-E119 PolarHBondContact NH2-OE1 2.94Å |
| 100 | K | 94.4 | Very high | 95.8 | Very high | 122 Ų | 122 | 91.3 Ų | 91.3 | 53% | 0.53 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -58.4 | -36.1 | 173.9 | -174.8 | 175.6 | -178.5 | 176.2 | 0 | 112.5 | V96 A97 | V96-K100 WeakPolarHBondContact O-CB 3.42Å; V96-K100 PolarHBondContact O-N 3.04Å; A97-K100 PolarHBondContact O-N 3.27Å |
| 101 | H | 95.9 | Very high | 95.9 | Very high | 76 Ų | 76 | 87.8 Ų | 87.8 | 35% | 0.352 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.5 | -46.6 | 172.7 | 170.7 | 79.3 | 0 | 0 | 0 | 112.2 | A97 V98 R99 E103 R104 N105 D108 | A97-H101 PolarHBondContact O-N 3.49Å; V98-H101 WeakPolarHBondContact O-CB 3.35Å; V98-H101 PolarHBondContact O-N 3.06Å; R99-H101 PolarHBondContact O-N 3.48Å; H101-E103 VanDerWaalsContact C-N 3.32Å; H101-E103 PolarHBondContact O-N 3.28Å; H101-R104 PolarHBondContact O-N 3.42Å; H101-N105 PolarHBondContact CE1-ND2 3.43Å; H101-N105 PolarHBondContact ND1-ND2 3.02Å; H101-N105 VanDerWaalsContact ND1-ND2 3.18Å; H101-N105 WeakPolarHBondContact O-CB 3.46Å; H101-N105 PolarHBondContact O-N 3.22Å; H101-N105 PolarHBondContact O-ND2 3.43Å; H101-N105 VanDerWaalsContact O-ND2 3.14Å; H101-D108 IonicContact CD2-OD2 3.74Å; H101-D108 IonicContact CE1-OD2 3.92Å; H101-D108 IonicContact NE2-OD2 2.87Å; H101-D108 PolarHBondContact NE2-OD2 2.84Å |
| 102 | L | 95.9 | Very high | 95.9 | Very high | 28 Ų | 28 | 93 Ų | 93 | 15% | 0.147 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -67.3 | -28 | -179.1 | -77.8 | 173.4 | 0 | 0 | 0 | 114 | V98 R99 R104 N105 R106 D108 A111 K112 L115 | V98-L102 HydrophobicContact CG1-CD1 4.22Å; V98-L102 WeakPolarHBondContact O-CG 3.43Å; V98-L102 PolarHBondContact O-N 3.24Å; R99-L102 PolarHBondContact O-N 3.07Å; R99-L102 VanDerWaalsContact O-N 3.08Å; L102-R104 PolarHBondContact O-N 2.98Å; L102-N105 CarbonylContact O-C 3.58Å; L102-N105 PolarHBondContact O-N 3.4Å; L102-R106 WeakPolarHBondContact O-CA 3.47Å; L102-R106 PolarHBondContact O-N 3.04Å; L102-D108 HydrophobicContact CD2-CB 4.1Å; L102-D108 WeakPolarHBondContact CD2-O 3.26Å; L102-A111 HydrophobicContact CD1-CB 4.49Å; L102-A111 HydrophobicContact CD2-CB 3.68Å; L102-A111 HydrophobicContact CG-CB 4.05Å; L102-K112 HydrophobicContact CD1-CB 4.26Å; L102-K112 HydrophobicContact CD2-CB 4.4Å; L102-L115 HydrophobicContact CD1-CB 4.34Å; L102-L115 HydrophobicContact CD1-CD2 3.82Å |
| 103 | E | 94.1 | Very high | 96 | Very high | 134 Ų | 134 | 98.8 Ų | 98.8 | 63% | 0.626 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -58 | -39.5 | 173.3 | -76.2 | 166.7 | -169.7 | 0 | 0 | 111.6 | R99 H101 | R99-E103 WeakPolarHBondContact O-CG 3.39Å; R99-E103 PolarHBondContact O-N 2.81Å; H101-E103 VanDerWaalsContact C-N 3.32Å; H101-E103 PolarHBondContact O-N 3.28Å |
| 104 | R | 96.3 | Very high | 96.1 | Very high | 193 Ų | 193 | 100.9 Ų | 100.9 | 73% | 0.728 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -84.2 | -37.3 | 176.9 | -59.3 | 176.3 | -176.4 | -175.4 | -4.6 | 111.7 | H101 L102 | H101-R104 PolarHBondContact O-N 3.42Å; L102-R104 PolarHBondContact O-N 2.98Å |
| 105 | N | 96.3 | Very high | 96.1 | Very high | 76 Ų | 76 | 96.2 Ų | 96.2 | 41% | 0.406 | 44% | 0.435 | S | S | . | . | trans | -111.3 | 61.7 | -172.7 | -60.5 | -68.3 | 0 | 0 | 0 | 112 | H101 L102 K107 D108 | H101-N105 PolarHBondContact CE1-ND2 3.43Å; H101-N105 PolarHBondContact ND1-ND2 3.02Å; H101-N105 VanDerWaalsContact ND1-ND2 3.18Å; H101-N105 WeakPolarHBondContact O-CB 3.46Å; H101-N105 PolarHBondContact O-N 3.22Å; H101-N105 PolarHBondContact O-ND2 3.43Å; H101-N105 VanDerWaalsContact O-ND2 3.14Å; L102-N105 CarbonylContact O-C 3.58Å; L102-N105 PolarHBondContact O-N 3.4Å; N105-K107 PolarHBondContact O-N 3.34Å; N105-D108 HydrophobicContact CB-CB 4.29Å; N105-D108 WeakPolarHBondContact O-CB 3.49Å; N105-D108 PolarHBondContact O-N 3.27Å | ||
| 106 | R | 94.5 | Very high | 96.2 | Very high | 226 Ų | 226 | 100.3 Ų | 100.3 | 85% | 0.853 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -20.6 | -172.2 | -58.1 | -177.2 | 83.2 | -157.9 | 7.4 | 114.8 | L102 | L102-R106 WeakPolarHBondContact O-CA 3.47Å; L102-R106 PolarHBondContact O-N 3.04Å |
| 107 | K | 96.8 | Very high | 96.2 | Very high | 203 Ų | 203 | 100.3 Ų | 100.3 | 88% | 0.883 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -7.6 | 179.4 | -66.1 | -176 | 179.4 | 179.1 | 0 | 113.6 | N105 K109 | N105-K107 PolarHBondContact O-N 3.34Å; K107-K109 PolarHBondContact O-N 3.46Å |
| 108 | D | 97.4 | Very high | 96.3 | Very high | 55 Ų | 55 | 97.7 Ų | 97.7 | 29% | 0.294 | 43% | 0.432 | S | S | . | . | trans | -75.6 | 91.9 | -179.3 | -172 | -13.5 | 0 | 0 | 0 | 111.3 | H101 L102 N105 D110 A111 K112 | H101-D108 IonicContact CD2-OD2 3.74Å; H101-D108 IonicContact CE1-OD2 3.92Å; H101-D108 IonicContact NE2-OD2 2.87Å; H101-D108 PolarHBondContact NE2-OD2 2.84Å; L102-D108 HydrophobicContact CD2-CB 4.1Å; L102-D108 WeakPolarHBondContact CD2-O 3.26Å; N105-D108 HydrophobicContact CB-CB 4.29Å; N105-D108 WeakPolarHBondContact O-CB 3.49Å; N105-D108 PolarHBondContact O-N 3.27Å; D108-D110 VanDerWaalsContact C-N 3.34Å; D108-D110 PolarHBondContact OD1-N 2.64Å; D108-A111 HydrophobicContact CB-CB 4.17Å; D108-A111 VanDerWaalsContact CG-CB 3.4Å; D108-A111 PolarHBondContact OD1-N 3.22Å; D108-A111 VanDerWaalsContact OD2-CB 3.29Å; D108-A111 WeakPolarHBondContact OD2-CB 3.41Å; D108-K112 PolarHBondContact O-N 2.97Å | ||
| 109 | K | 97.1 | Very high | 96.3 | Very high | 184 Ų | 184 | 97.8 Ų | 97.8 | 80% | 0.8 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -70.1 | -29.8 | -179.9 | -63.7 | -179.5 | -176.5 | 176.8 | 0 | 112.5 | K107 K112 F113 | K107-K109 PolarHBondContact O-N 3.46Å; K109-K112 PolarHBondContact O-N 2.76Å; K109-F113 PolarHBondContact O-N 3.05Å |
| 110 | D | 96.6 | Very high | 96.4 | Very high | 82 Ų | 82 | 96.2 Ų | 96.2 | 44% | 0.439 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -71.5 | -46.4 | 179.6 | -176.9 | 60.7 | 0 | 0 | 0 | 110.6 | D108 K112 F113 R114 | D108-D110 VanDerWaalsContact C-N 3.34Å; D108-D110 PolarHBondContact OD1-N 2.64Å; D110-K112 PolarHBondContact O-N 3.4Å; D110-F113 WeakPolarHBondContact O-CB 3.23Å; D110-F113 PolarHBondContact O-N 2.85Å; D110-F113 VanDerWaalsContact O-N 3.11Å; D110-R114 WeakPolarHBondContact O-CG 3.46Å; D110-R114 PolarHBondContact O-N 3.07Å; D110-R114 IonicContact OD1-NE 3.26Å; D110-R114 IonicContact OD2-CZ 2.73Å; D110-R114 VanDerWaalsContact OD2-CZ 3.26Å; D110-R114 IonicContact OD2-NE 3.92Å; D110-R114 PolarHBondContact OD2-NE 3.41Å; D110-R114 IonicContact OD2-NH2 3.73Å; D110-R114 PolarHBondContact OD2-NH2 3.16Å; D110-R114 VanDerWaalsContact OD2-NH2 3.14Å |
| 111 | A | 96.7 | Very high | 96.6 | Very high | 8 Ų | 8 | 94.1 Ų | 94.1 | 7% | 0.066 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -59.6 | -37.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V98 L102 D108 R114 L115 | V98-A111 HydrophobicContact CG1-CB 4.39Å; L102-A111 HydrophobicContact CD1-CB 4.49Å; L102-A111 HydrophobicContact CD2-CB 3.68Å; L102-A111 HydrophobicContact CG-CB 4.05Å; D108-A111 HydrophobicContact CB-CB 4.17Å; D108-A111 VanDerWaalsContact CG-CB 3.4Å; D108-A111 PolarHBondContact OD1-N 3.22Å; D108-A111 VanDerWaalsContact OD2-CB 3.29Å; D108-A111 WeakPolarHBondContact OD2-CB 3.41Å; A111-R114 PolarHBondContact O-N 3.15Å; A111-L115 WeakPolarHBondContact O-CB 3.46Å; A111-L115 PolarHBondContact O-N 3.33Å |
| 112 | K | 96.9 | Very high | 96.6 | Very high | 135 Ų | 135 | 90.5 Ų | 90.5 | 59% | 0.587 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -61.7 | -45.9 | 173.6 | -172.6 | 178.1 | -179.4 | 179.7 | 0 | 111.9 | L102 D108 K109 D110 L115 I116 | L102-K112 HydrophobicContact CD1-CB 4.26Å; L102-K112 HydrophobicContact CD2-CB 4.4Å; D108-K112 PolarHBondContact O-N 2.97Å; K109-K112 PolarHBondContact O-N 2.76Å; D110-K112 PolarHBondContact O-N 3.4Å; K112-L115 WeakPolarHBondContact O-CB 3.43Å; K112-L115 PolarHBondContact O-N 3.13Å; K112-I116 WeakPolarHBondContact O-CG1 3.39Å; K112-I116 PolarHBondContact O-N 2.97Å |
| 113 | F | 97.3 | Very high | 96.7 | Very high | 121 Ų | 121 | 93.6 Ų | 93.6 | 53% | 0.531 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.3 | -45.5 | 175.5 | 175.8 | -105.9 | 0 | 0 | 0 | 112 | K109 D110 L115 I116 L117 | K109-F113 PolarHBondContact O-N 3.05Å; D110-F113 WeakPolarHBondContact O-CB 3.23Å; D110-F113 PolarHBondContact O-N 2.85Å; D110-F113 VanDerWaalsContact O-N 3.11Å; F113-L115 VanDerWaalsContact C-N 3.31Å; F113-L115 PolarHBondContact O-N 3.33Å; F113-I116 WeakPolarHBondContact O-CB 3.41Å; F113-I116 PolarHBondContact O-N 3.42Å; F113-L117 HydrophobicContact CD1-CD1 4.13Å; F113-L117 HydrophobicContact CE1-CD1 3.54Å; F113-L117 HydrophobicContact CE1-CG 4.26Å; F113-L117 HydrophobicContact CZ-CD1 3.84Å; F113-L117 HydrophobicContact CZ-CD2 4.33Å; F113-L117 HydrophobicContact CZ-CG 4.24Å; F113-L117 PolarHBondContact O-N 3.08Å |
| 114 | R | 97.1 | Very high | 96.8 | Very high | 149 Ų | 149 | 93 Ų | 93 | 56% | 0.562 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -65.7 | -31.4 | 177.6 | -67.7 | -177.9 | -171.7 | -145.1 | 3.6 | 113.4 | D110 A111 L117 T118 | D110-R114 WeakPolarHBondContact O-CG 3.46Å; D110-R114 PolarHBondContact O-N 3.07Å; D110-R114 IonicContact OD1-NE 3.26Å; D110-R114 IonicContact OD2-CZ 2.73Å; D110-R114 VanDerWaalsContact OD2-CZ 3.26Å; D110-R114 IonicContact OD2-NE 3.92Å; D110-R114 PolarHBondContact OD2-NE 3.41Å; D110-R114 IonicContact OD2-NH2 3.73Å; D110-R114 PolarHBondContact OD2-NH2 3.16Å; D110-R114 VanDerWaalsContact OD2-NH2 3.14Å; A111-R114 PolarHBondContact O-N 3.15Å; R114-L117 PolarHBondContact O-N 3.38Å; R114-T118 WeakPolarHBondContact O-CB 3.46Å; R114-T118 PolarHBondContact O-N 3.42Å; R114-T118 VanDerWaalsContact O-N 3.07Å; R114-T118 PolarHBondContact O-OG1 3.4Å |
| 115 | L | 96.9 | Very high | 96.8 | Very high | 15 Ų | 15 | 85.8 Ų | 85.8 | 8% | 0.079 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.1 | -49.3 | 172.8 | -178.4 | 59 | 0 | 0 | 0 | 110.3 | A95 V98 L102 A111 K112 F113 L117 T118 E119 | A95-L115 HydrophobicContact CB-CD1 4.07Å; V98-L115 HydrophobicContact CB-CD1 4.3Å; V98-L115 HydrophobicContact CG1-CB 3.84Å; V98-L115 HydrophobicContact CG1-CD1 4.22Å; V98-L115 HydrophobicContact CG1-CG 4.47Å; L102-L115 HydrophobicContact CD1-CB 4.34Å; L102-L115 HydrophobicContact CD1-CD2 3.82Å; A111-L115 WeakPolarHBondContact O-CB 3.46Å; A111-L115 PolarHBondContact O-N 3.33Å; K112-L115 WeakPolarHBondContact O-CB 3.43Å; K112-L115 PolarHBondContact O-N 3.13Å; F113-L115 VanDerWaalsContact C-N 3.31Å; F113-L115 PolarHBondContact O-N 3.33Å; L115-L117 VanDerWaalsContact C-N 3.29Å; L115-L117 PolarHBondContact O-N 3.08Å; L115-T118 WeakPolarHBondContact O-CA 3.44Å; L115-T118 WeakPolarHBondContact O-CB 3.42Å; L115-T118 PolarHBondContact O-N 2.9Å; L115-E119 HydrophobicContact CD1-CG 4.01Å; L115-E119 HydrophobicContact CG-CG 4.31Å; L115-E119 PolarHBondContact O-N 3.35Å |
| 116 | I | 97.3 | Very high | 96.8 | Very high | 87 Ų | 87 | 82.4 Ų | 82.4 | 45% | 0.446 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -54.9 | -45.5 | 177.1 | -65.4 | 165.7 | 0 | 0 | 0 | 110.9 | K112 F113 T118 S120 | K112-I116 WeakPolarHBondContact O-CG1 3.39Å; K112-I116 PolarHBondContact O-N 2.97Å; F113-I116 WeakPolarHBondContact O-CB 3.41Å; F113-I116 PolarHBondContact O-N 3.42Å; I116-T118 VanDerWaalsContact C-N 3.27Å; I116-T118 PolarHBondContact O-N 2.85Å; I116-S120 VanDerWaalsContact O-CB 3.23Å; I116-S120 WeakPolarHBondContact O-CB 3.48Å; I116-S120 PolarHBondContact O-N 3.07Å; I116-S120 PolarHBondContact O-OG 3.02Å |
| 117 | L | 97.6 | Very high | 96.9 | Very high | 40 Ų | 40 | 80 Ų | 80 | 21% | 0.209 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.5 | -28.5 | 177.4 | -64 | -177.3 | 0 | 0 | 0 | 113.4 | H5 F113 R114 L115 R121 | H5-L117 HydrophobicContact CB-CB 4.44Å; H5-L117 HydrophobicContact CB-CD1 4.17Å; H5-L117 HydrophobicContact CB-CD2 4.1Å; H5-L117 HydrophobicContact CB-CG 4.47Å; H5-L117 PolarHBondContact CE1-O 3.4Å; H5-L117 PolarHBondContact ND1-O 3.48Å; H5-L117 VanDerWaalsContact ND1-O 3.08Å; F113-L117 HydrophobicContact CD1-CD1 4.13Å; F113-L117 HydrophobicContact CE1-CD1 3.54Å; F113-L117 HydrophobicContact CE1-CG 4.26Å; F113-L117 HydrophobicContact CZ-CD1 3.84Å; F113-L117 HydrophobicContact CZ-CD2 4.33Å; F113-L117 HydrophobicContact CZ-CG 4.24Å; F113-L117 PolarHBondContact O-N 3.08Å; R114-L117 PolarHBondContact O-N 3.38Å; L115-L117 VanDerWaalsContact C-N 3.29Å; L115-L117 PolarHBondContact O-N 3.08Å; L117-R121 WeakPolarHBondContact O-CG 3.43Å; L117-R121 PolarHBondContact O-N 2.73Å; L117-R121 PolarHBondContact O-NE 2.75Å |
| 118 | T | 96.7 | Very high | 96.9 | Very high | 5 Ų | 5 | 76.2 Ų | 76.2 | 3% | 0.031 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -80.2 | -46.9 | 179.2 | -57.8 | 0 | 0 | 0 | 0 | 110.7 | L91 K94 A95 R114 L115 I116 S120 R121 I122 | L91-T118 HydrophobicContact CD2-CG2 4.32Å; K94-T118 HydrophobicContact CB-CG2 4.38Å; K94-T118 HydrophobicContact CD-CG2 4.44Å; K94-T118 HydrophobicContact CG-CG2 4.34Å; A95-T118 HydrophobicContact CB-CG2 4.18Å; R114-T118 WeakPolarHBondContact O-CB 3.46Å; R114-T118 PolarHBondContact O-N 3.42Å; R114-T118 VanDerWaalsContact O-N 3.07Å; R114-T118 PolarHBondContact O-OG1 3.4Å; L115-T118 WeakPolarHBondContact O-CA 3.44Å; L115-T118 WeakPolarHBondContact O-CB 3.42Å; L115-T118 PolarHBondContact O-N 2.9Å; I116-T118 VanDerWaalsContact C-N 3.27Å; I116-T118 PolarHBondContact O-N 2.85Å; T118-S120 VanDerWaalsContact C-N 3.31Å; T118-S120 PolarHBondContact O-N 3.19Å; T118-R121 WeakPolarHBondContact O-CB 3.49Å; T118-R121 PolarHBondContact O-N 2.94Å; T118-R121 PolarHBondContact OG1-NH2 3.49Å; T118-I122 WeakPolarHBondContact O-CG1 3.43Å; T118-I122 PolarHBondContact O-N 2.89Å |
| 119 | E | 96.4 | Very high | 96.9 | Very high | 35 Ų | 35 | 75.4 Ų | 75.4 | 16% | 0.164 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.5 | -40.8 | 174 | -68.2 | 179.4 | 161.5 | 0 | 0 | 111.3 | R99 L115 R121 I122 H123 Y141 | R99-E119 IonicContact CZ-OE1 2.74Å; R99-E119 IonicContact NE-OE1 3.62Å; R99-E119 IonicContact NH2-OE1 3.14Å; R99-E119 PolarHBondContact NH2-OE1 2.94Å; L115-E119 HydrophobicContact CD1-CG 4.01Å; L115-E119 HydrophobicContact CG-CG 4.31Å; L115-E119 PolarHBondContact O-N 3.35Å; E119-R121 VanDerWaalsContact C-N 3.27Å; E119-R121 PolarHBondContact O-N 3.32Å; E119-I122 WeakPolarHBondContact O-CB 3.45Å; E119-I122 PolarHBondContact O-N 3.06Å; E119-H123 PolarHBondContact O-CD2 3.06Å; E119-H123 PolarHBondContact O-N 3.25Å; E119-Y141 HydrophobicContact CG-CE1 3.98Å |
| 120 | S | 97.3 | Very high | 96.8 | Very high | 47 Ų | 47 | 70.2 Ų | 70.2 | 33% | 0.329 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -57.9 | -37.5 | 173.4 | -64 | 0 | 0 | 0 | 0 | 112.6 | I116 T118 R124 | I116-S120 VanDerWaalsContact O-CB 3.23Å; I116-S120 WeakPolarHBondContact O-CB 3.48Å; I116-S120 PolarHBondContact O-N 3.07Å; I116-S120 PolarHBondContact O-OG 3.02Å; T118-S120 VanDerWaalsContact C-N 3.31Å; T118-S120 PolarHBondContact O-N 3.19Å; S120-R124 VanDerWaalsContact O-CG 3.28Å; S120-R124 WeakPolarHBondContact O-CG 3.42Å; S120-R124 PolarHBondContact O-N 3.23Å |
| 121 | R | 97.4 | Very high | 96.8 | Very high | 77 Ų | 77 | 71.5 Ų | 71.5 | 29% | 0.291 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -69.3 | -41.7 | 174.2 | -74.3 | 178.4 | -72.7 | 164.2 | -2.3 | 111.7 | M4 L91 L117 T118 E119 H123 R124 L125 | M4-R121 HydrophobicContact SD-CG 4.27Å; L91-R121 HydrophobicContact CD1-CB 3.91Å; L91-R121 HydrophobicContact CD2-CB 4.36Å; L117-R121 WeakPolarHBondContact O-CG 3.43Å; L117-R121 PolarHBondContact O-N 2.73Å; L117-R121 PolarHBondContact O-NE 2.75Å; T118-R121 WeakPolarHBondContact O-CB 3.49Å; T118-R121 PolarHBondContact O-N 2.94Å; T118-R121 PolarHBondContact OG1-NH2 3.49Å; E119-R121 VanDerWaalsContact C-N 3.27Å; E119-R121 PolarHBondContact O-N 3.32Å; R121-H123 PolarHBondContact O-N 3.08Å; R121-R124 PolarHBondContact O-N 3.5Å; R121-L125 WeakPolarHBondContact O-CB 3.33Å; R121-L125 PolarHBondContact O-N 3.3Å |
| 122 | I | 96.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 77.2 Ų | 77.2 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -56.5 | -50.6 | 176.2 | -65.9 | 170.2 | 0 | 0 | 0 | 110 | L88 L91 I92 A95 T118 E119 R124 L125 A126 Y141 | L88-I122 HydrophobicContact CD1-CG2 3.89Å; L91-I122 HydrophobicContact CB-CD1 4.29Å; L91-I122 HydrophobicContact CB-CG1 3.62Å; L91-I122 HydrophobicContact CD1-CG1 4.49Å; I92-I122 HydrophobicContact CG1-CD1 3.98Å; I92-I122 HydrophobicContact CG1-CG1 4.34Å; I92-I122 HydrophobicContact CG1-CG2 4.22Å; A95-I122 HydrophobicContact CB-CD1 3.82Å; T118-I122 WeakPolarHBondContact O-CG1 3.43Å; T118-I122 PolarHBondContact O-N 2.89Å; E119-I122 WeakPolarHBondContact O-CB 3.45Å; E119-I122 PolarHBondContact O-N 3.06Å; I122-R124 PolarHBondContact O-N 3.34Å; I122-L125 PolarHBondContact O-N 3.47Å; I122-A126 VanDerWaalsContact O-CB 3.26Å; I122-A126 WeakPolarHBondContact O-CB 3.48Å; I122-A126 PolarHBondContact O-N 3.18Å; I122-Y141 HydrophobicContact CD1-CD2 4.44Å; I122-Y141 HydrophobicContact CD1-CE1 4.38Å; I122-Y141 HydrophobicContact CD1-CE2 4.04Å; I122-Y141 HydrophobicContact CG2-CD1 4.13Å; I122-Y141 HydrophobicContact CG2-CD2 3.91Å; I122-Y141 HydrophobicContact CG2-CG 3.69Å |
| 123 | H | 96.7 | Very high | 96.6 | Very high | 93 Ų | 93 | 81.9 Ų | 81.9 | 43% | 0.431 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.8 | -41 | -179 | -67.1 | -58.3 | 0 | 0 | 0 | 113.1 | E119 R121 R127 Y141 | E119-H123 PolarHBondContact O-CD2 3.06Å; E119-H123 PolarHBondContact O-N 3.25Å; R121-H123 PolarHBondContact O-N 3.08Å; H123-R127 WeakPolarHBondContact O-CB 3.48Å; H123-R127 PolarHBondContact O-N 2.84Å; H123-Y141 AromaticContact CE1-CD1 3.76Å |
| 124 | R | 97.1 | Very high | 96.4 | Very high | 123 Ų | 123 | 79.1 Ų | 79.1 | 46% | 0.464 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.1 | -45.5 | 175.4 | -73.1 | 174.3 | 65.6 | 171.5 | 3.9 | 111.8 | M4 S120 R121 I122 R127 Y128 | M4-R124 VanDerWaalsContact CG-NH1 3.27Å; M4-R124 PolarHBondContact SD-NH1 3.21Å; S120-R124 VanDerWaalsContact O-CG 3.28Å; S120-R124 WeakPolarHBondContact O-CG 3.42Å; S120-R124 PolarHBondContact O-N 3.23Å; R121-R124 PolarHBondContact O-N 3.5Å; I122-R124 PolarHBondContact O-N 3.34Å; R124-R127 PolarHBondContact O-N 3.39Å; R124-Y128 PolarHBondContact O-N 3.45Å |
| 125 | L | 96.4 | Very high | 96.2 | Very high | 40 Ų | 40 | 72.6 Ų | 72.6 | 21% | 0.209 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -69.8 | -41.4 | -178 | -156.5 | 95.8 | 0 | 0 | 0 | 111.6 | D87 L88 L91 R121 I122 R127 Y128 Y129 | D87-L125 HydrophobicContact CB-CD2 4.25Å; L88-L125 HydrophobicContact CB-CD2 3.62Å; L88-L125 HydrophobicContact CD1-CB 4.39Å; L88-L125 HydrophobicContact CD1-CD2 3.82Å; L88-L125 HydrophobicContact CG-CD2 4.25Å; L91-L125 HydrophobicContact CD1-CD2 4.38Å; R121-L125 WeakPolarHBondContact O-CB 3.33Å; R121-L125 PolarHBondContact O-N 3.3Å; I122-L125 PolarHBondContact O-N 3.47Å; L125-R127 VanDerWaalsContact C-N 3.34Å; L125-R127 PolarHBondContact O-N 2.88Å; L125-Y128 WeakPolarHBondContact O-CB 3.39Å; L125-Y128 PolarHBondContact O-N 2.98Å; L125-Y129 HydrophobicContact CD1-CE2 4.45Å; L125-Y129 HydrophobicContact CD2-CD2 4.06Å; L125-Y129 HydrophobicContact CD2-CE2 3.58Å; L125-Y129 HydrophobicContact CG-CD2 3.97Å; L125-Y129 HydrophobicContact CG-CE2 3.66Å; L125-Y129 VanDerWaalsContact O-CD2 3.28Å; L125-Y129 WeakPolarHBondContact O-CD2 3.31Å; L125-Y129 PolarHBondContact O-N 3.35Å |
| 126 | A | 96.1 | Very high | 96.1 | Very high | 6 Ų | 6 | 74.3 Ų | 74.3 | 5% | 0.05 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -58.9 | -44.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | I122 Y128 Y129 K130 W139 | I122-A126 VanDerWaalsContact O-CB 3.26Å; I122-A126 WeakPolarHBondContact O-CB 3.48Å; I122-A126 PolarHBondContact O-N 3.18Å; A126-Y128 VanDerWaalsContact C-N 3.32Å; A126-Y128 PolarHBondContact O-N 3.49Å; A126-Y129 PolarHBondContact O-N 3.24Å; A126-K130 WeakPolarHBondContact O-CG 3.48Å; A126-K130 PolarHBondContact O-N 3.37Å; A126-W139 HydrophobicContact CB-CE3 3.94Å; A126-W139 HydrophobicContact CB-CH2 4.37Å; A126-W139 HydrophobicContact CB-CZ3 3.43Å; A126-W139 VanDerWaalsContact CB-CZ3 3.43Å |
| 127 | R | 96.8 | Very high | 95.9 | Very high | 175 Ų | 175 | 75.5 Ų | 75.5 | 66% | 0.66 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -57.9 | -44.4 | 175.4 | -172.5 | -172.5 | -60.7 | 159.6 | 0.1 | 112 | H123 R124 L125 K130 T131 | H123-R127 WeakPolarHBondContact O-CB 3.48Å; H123-R127 PolarHBondContact O-N 2.84Å; R124-R127 PolarHBondContact O-N 3.39Å; L125-R127 VanDerWaalsContact C-N 3.34Å; L125-R127 PolarHBondContact O-N 2.88Å; R127-K130 PolarHBondContact O-N 2.97Å; R127-T131 PolarHBondContact O-N 3Å; R127-T131 VanDerWaalsContact O-N 3.08Å; R127-T131 PolarHBondContact O-OG1 3.38Å |
| 128 | Y | 97.3 | Very high | 95.7 | Very high | 124 Ų | 124 | 80.2 Ų | 80.2 | 49% | 0.486 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -58.9 | -48.7 | 175.5 | 167.6 | -101.2 | 0 | 0 | 0 | 111.6 | R124 L125 A126 K130 T131 K132 | R124-Y128 PolarHBondContact O-N 3.45Å; L125-Y128 WeakPolarHBondContact O-CB 3.39Å; L125-Y128 PolarHBondContact O-N 2.98Å; A126-Y128 VanDerWaalsContact C-N 3.32Å; A126-Y128 PolarHBondContact O-N 3.49Å; Y128-K130 PolarHBondContact O-N 3.06Å; Y128-T131 WeakPolarHBondContact O-CB 3.47Å; Y128-T131 PolarHBondContact O-N 2.87Å; Y128-K132 HydrophobicContact CD2-CG 4.32Å; Y128-K132 HydrophobicContact CE1-CG 4.29Å; Y128-K132 HydrophobicContact CE2-CD 4.45Å; Y128-K132 HydrophobicContact CE2-CG 3.82Å; Y128-K132 PolarHBondContact O-N 3.11Å |
| 129 | Y | 96.9 | Very high | 95.6 | Very high | 38 Ų | 38 | 81.9 Ų | 81.9 | 15% | 0.149 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -69.8 | -30.1 | -178.1 | -76.9 | -58.1 | 0 | 0 | 0 | 114.1 | P85 D87 L125 A126 K132 R133 V134 L135 | P85-Y129 HydrophobicContact CB-CD2 4.21Å; P85-Y129 HydrophobicContact CB-CE1 4.11Å; P85-Y129 HydrophobicContact CB-CE2 3.59Å; P85-Y129 HydrophobicContact CG-CD1 4.02Å; P85-Y129 HydrophobicContact CG-CD2 3.89Å; P85-Y129 HydrophobicContact CG-CE1 3.92Å; P85-Y129 HydrophobicContact CG-CE2 3.77Å; P85-Y129 HydrophobicContact CG-CG 4.01Å; D87-Y129 VanDerWaalsContact CG-OH 3.24Å; D87-Y129 WeakPolarHBondContact OD1-CE2 3.32Å; D87-Y129 PolarHBondContact OD1-OH 2.9Å; D87-Y129 PolarHBondContact OD2-OH 3.4Å; L125-Y129 HydrophobicContact CD1-CE2 4.45Å; L125-Y129 HydrophobicContact CD2-CD2 4.06Å; L125-Y129 HydrophobicContact CD2-CE2 3.58Å; L125-Y129 HydrophobicContact CG-CD2 3.97Å; L125-Y129 HydrophobicContact CG-CE2 3.66Å; L125-Y129 VanDerWaalsContact O-CD2 3.28Å; L125-Y129 WeakPolarHBondContact O-CD2 3.31Å; L125-Y129 PolarHBondContact O-N 3.35Å; A126-Y129 PolarHBondContact O-N 3.24Å; Y129-K132 CarbonylContact O-C 3.46Å; Y129-K132 PolarHBondContact O-N 3.31Å; Y129-R133 PolarHBondContact O-N 2.74Å; Y129-V134 HydrophobicContact CD1-CB 3.79Å; Y129-V134 HydrophobicContact CD1-CG1 3.94Å; Y129-V134 HydrophobicContact CD1-CG2 3.98Å; Y129-V134 HydrophobicContact CG-CB 4.42Å; Y129-V134 PolarHBondContact O-N 2.92Å; Y129-L135 PolarHBondContact O-N 2.99Å |
| 130 | K | 95.7 | Very high | 95.4 | Very high | 75 Ų | 75 | 86.9 Ų | 86.9 | 33% | 0.326 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.6 | -45 | 168.3 | -69.3 | -178.9 | -170.4 | -156.7 | 0 | 111.7 | A126 R127 Y128 K132 R133 L135 P137 W139 | A126-K130 WeakPolarHBondContact O-CG 3.48Å; A126-K130 PolarHBondContact O-N 3.37Å; R127-K130 PolarHBondContact O-N 2.97Å; Y128-K130 PolarHBondContact O-N 3.06Å; K130-K132 PolarHBondContact O-N 3.35Å; K130-R133 PolarHBondContact O-N 3.46Å; K130-L135 HydrophobicContact CG-CB 4.28Å; K130-P137 PolarHBondContact NZ-O 3.42Å; K130-W139 WeakPolarHBondContact CE-O 3.46Å; K130-W139 PolarHBondContact NZ-O 3.31Å |
| 131 | T | 96.7 | Very high | 95.2 | Very high | 109 Ų | 109 | 85.3 Ų | 85.3 | 67% | 0.669 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -61.4 | -36.4 | 178.3 | -51.2 | 0 | 0 | 0 | 0 | 111.3 | R127 Y128 R133 | R127-T131 PolarHBondContact O-N 3Å; R127-T131 VanDerWaalsContact O-N 3.08Å; R127-T131 PolarHBondContact O-OG1 3.38Å; Y128-T131 WeakPolarHBondContact O-CB 3.47Å; Y128-T131 PolarHBondContact O-N 2.87Å; T131-R133 VanDerWaalsContact C-N 3.27Å; T131-R133 PolarHBondContact O-N 3.28Å |
| 132 | K | 95.4 | Very high | 95 | Very high | 128 Ų | 128 | 85.1 Ų | 85.1 | 56% | 0.557 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | 5.7 | 175.3 | -65.1 | -61.9 | -174.1 | -176.4 | 0 | 114.3 | Y128 Y129 K130 V134 | Y128-K132 HydrophobicContact CD2-CG 4.32Å; Y128-K132 HydrophobicContact CE1-CG 4.29Å; Y128-K132 HydrophobicContact CE2-CD 4.45Å; Y128-K132 HydrophobicContact CE2-CG 3.82Å; Y128-K132 PolarHBondContact O-N 3.11Å; Y129-K132 CarbonylContact O-C 3.46Å; Y129-K132 PolarHBondContact O-N 3.31Å; K130-K132 PolarHBondContact O-N 3.35Å; K132-V134 HydrophobicContact CB-CG2 4.06Å; K132-V134 PolarHBondContact O-N 3.14Å; K132-V134 VanDerWaalsContact O-N 3.14Å |
| 133 | R | 93.8 | Very high | 94.6 | Very high | 233 Ų | 233 | 87.2 Ų | 87.2 | 88% | 0.879 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 27.6 | -178 | -54.6 | -178.7 | -178.8 | -178.8 | -0.9 | 113.8 | Y129 K130 T131 | Y129-R133 PolarHBondContact O-N 2.74Å; K130-R133 PolarHBondContact O-N 3.46Å; T131-R133 VanDerWaalsContact C-N 3.27Å; T131-R133 PolarHBondContact O-N 3.28Å |
| 134 | V | 93 | Very high | 94.2 | Very high | 62 Ų | 62 | 87.2 Ų | 87.2 | 38% | 0.376 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -83.7 | -35.3 | 173.5 | 178.5 | 0 | 0 | 0 | 0 | 110 | P85 Y129 K132 | P85-V134 HydrophobicContact CG-CG1 3.9Å; Y129-V134 HydrophobicContact CD1-CB 3.79Å; Y129-V134 HydrophobicContact CD1-CG1 3.94Å; Y129-V134 HydrophobicContact CD1-CG2 3.98Å; Y129-V134 HydrophobicContact CG-CB 4.42Å; Y129-V134 PolarHBondContact O-N 2.92Å; K132-V134 HydrophobicContact CB-CG2 4.06Å; K132-V134 PolarHBondContact O-N 3.14Å; K132-V134 VanDerWaalsContact O-N 3.14Å |
| 135 | L | 93 | Very high | 93.8 | Very high | 13 Ų | 13 | 84.9 Ų | 84.9 | 7% | 0.068 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -106.3 | 150.2 | 171.5 | -66.8 | 173.4 | 0 | 0 | 0 | 110.1 | L84 L88 Y129 K130 W139 | L84-L135 HydrophobicContact CD2-CD2 3.92Å; L88-L135 HydrophobicContact CD2-CD1 3.64Å; Y129-L135 PolarHBondContact O-N 2.99Å; K130-L135 HydrophobicContact CG-CB 4.28Å; L135-W139 HydrophobicContact CB-CB 4.21Å; L135-W139 HydrophobicContact CB-CG 4.33Å; L135-W139 HydrophobicContact CD1-CD2 3.94Å; L135-W139 HydrophobicContact CD1-CE3 3.98Å; L135-W139 HydrophobicContact CD1-CG 4.33Å; L135-W139 HydrophobicContact CD1-CZ3 4.43Å; L135-W139 HydrophobicContact CD2-CD2 4.42Å; L135-W139 HydrophobicContact CD2-CG 4.26Å |
| 136 | A | 93.3 | Very high | 93.3 | Very high | 51 Ų | 51 | 83 Ų | 83 | 42% | 0.421 | 41% | 0.413 | S | S | . | . | trans | -59.9 | 144.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | N138 W139 | A136-N138 WeakPolarHBondContact CB-OD1 3.46Å; A136-N138 PolarHBondContact O-N 3.27Å; A136-W139 WeakPolarHBondContact O-CB 3.29Å; A136-W139 PolarHBondContact O-N 3.39Å | ||
| 137 | P | 93.8 | Very high | 92.7 | Very high | 112 Ų | 112 | 85.9 Ų | 85.9 | 73% | 0.727 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -37.6 | -178.4 | -26.3 | 34.8 | 0 | 0 | 0 | 113.6 | K130 W139 | K130-P137 PolarHBondContact NZ-O 3.42Å; P137-W139 VanDerWaalsContact C-N 3.28Å; P137-W139 PolarHBondContact O-N 3.08Å |
| 138 | N | 93.8 | Very high | 92.2 | Very high | 138 Ų | 138 | 81.4 Ų | 81.4 | 74% | 0.738 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -4.8 | 177.8 | 66.1 | -27.2 | 0 | 0 | 0 | 114 | A136 K140 | A136-N138 WeakPolarHBondContact CB-OD1 3.46Å; A136-N138 PolarHBondContact O-N 3.27Å; N138-K140 PolarHBondContact O-N 3.37Å |
| 139 | W | 94.3 | Very high | 91.4 | Very high | 41 Ų | 41 | 78.8 Ų | 78.8 | 16% | 0.155 | 43% | 0.428 | C | S | . | . | trans | -58.6 | 130.3 | 179.2 | -172.8 | 93.7 | 0 | 0 | 0 | 110.7 | L84 L88 I92 A126 K130 L135 A136 P137 | L84-W139 HydrophobicContact CD2-CZ2 4.14Å; L88-W139 HydrophobicContact CD1-CH2 4.36Å; L88-W139 HydrophobicContact CD2-CH2 3.85Å; L88-W139 HydrophobicContact CD2-CZ2 3.99Å; L88-W139 HydrophobicContact CD2-CZ3 4.42Å; L88-W139 HydrophobicContact CG-CH2 4.39Å; I92-W139 HydrophobicContact CD1-CH2 4.15Å; I92-W139 HydrophobicContact CD1-CZ2 4.13Å; A126-W139 HydrophobicContact CB-CE3 3.94Å; A126-W139 HydrophobicContact CB-CH2 4.37Å; A126-W139 HydrophobicContact CB-CZ3 3.43Å; A126-W139 VanDerWaalsContact CB-CZ3 3.43Å; K130-W139 WeakPolarHBondContact CE-O 3.46Å; K130-W139 PolarHBondContact NZ-O 3.31Å; L135-W139 HydrophobicContact CB-CB 4.21Å; L135-W139 HydrophobicContact CB-CG 4.33Å; L135-W139 HydrophobicContact CD1-CD2 3.94Å; L135-W139 HydrophobicContact CD1-CE3 3.98Å; L135-W139 HydrophobicContact CD1-CG 4.33Å; L135-W139 HydrophobicContact CD1-CZ3 4.43Å; L135-W139 HydrophobicContact CD2-CD2 4.42Å; L135-W139 HydrophobicContact CD2-CG 4.26Å; A136-W139 WeakPolarHBondContact O-CB 3.29Å; A136-W139 PolarHBondContact O-N 3.39Å; P137-W139 VanDerWaalsContact C-N 3.28Å; P137-W139 PolarHBondContact O-N 3.08Å | ||
| 140 | K | 93 | Very high | 90.6 | Very high | 140 Ų | 140 | 77.6 Ų | 77.6 | 61% | 0.609 | 42% | 0.424 | S | S | * | . | trans | -137.3 | 138.7 | -179.9 | -167.2 | 174.6 | 174.4 | -150.7 | 0 | 110.1 | N138 E142 | N138-K140 PolarHBondContact O-N 3.37Å; K140-E142 WeakPolarHBondContact CD-OE1 3.45Å; K140-E142 WeakPolarHBondContact CE-OE1 3.44Å; K140-E142 HydrophobicContact CG-CG 4.47Å; K140-E142 IonicContact NZ-OE1 2.66Å; K140-E142 PolarHBondContact NZ-OE1 3.14Å; K140-E142 PolarHBondContact O-N 2.99Å | ||
| 141 | Y | 93.1 | Very high | 88.9 | Confident | 13 Ų | 13 | 80.8 Ų | 80.8 | 5% | 0.051 | 46% | 0.464 | C | S | . | . | trans | -79.1 | 116.9 | 168.9 | 171.8 | -108.4 | 0 | 0 | 0 | 108.4 | I92 E119 I122 H123 A146 | I92-Y141 HydrophobicContact CD1-CD2 4.44Å; I92-Y141 HydrophobicContact CG1-CD2 4.11Å; I92-Y141 HydrophobicContact CG1-CE2 4.18Å; I92-Y141 HydrophobicContact CG2-CE2 4.09Å; E119-Y141 HydrophobicContact CG-CE1 3.98Å; I122-Y141 HydrophobicContact CD1-CD2 4.44Å; I122-Y141 HydrophobicContact CD1-CE1 4.38Å; I122-Y141 HydrophobicContact CD1-CE2 4.04Å; I122-Y141 HydrophobicContact CG2-CD1 4.13Å; I122-Y141 HydrophobicContact CG2-CD2 3.91Å; I122-Y141 HydrophobicContact CG2-CG 3.69Å; H123-Y141 AromaticContact CE1-CD1 3.76Å; Y141-A146 HydrophobicContact CD2-CB 4.44Å; Y141-A146 HydrophobicContact CE2-CB 3.69Å | ||
| 142 | E | 92.4 | Very high | 88.5 | Confident | 73 Ų | 73 | 79.4 Ų | 79.4 | 34% | 0.341 | 45% | 0.454 | S | S | . | . | trans | -120.6 | 127.8 | 173.6 | -67.3 | -66.4 | 173.7 | 0 | 0 | 108.6 | K140 S144 T145 A146 | K140-E142 WeakPolarHBondContact CD-OE1 3.45Å; K140-E142 WeakPolarHBondContact CE-OE1 3.44Å; K140-E142 HydrophobicContact CG-CG 4.47Å; K140-E142 IonicContact NZ-OE1 2.66Å; K140-E142 PolarHBondContact NZ-OE1 3.14Å; K140-E142 PolarHBondContact O-N 2.99Å; E142-S144 PolarHBondContact O-N 2.93Å; E142-T145 PolarHBondContact O-N 3.23Å; E142-T145 PolarHBondContact O-OG1 3.32Å; E142-A146 WeakPolarHBondContact O-CB 3.38Å; E142-A146 PolarHBondContact O-N 3.21Å | ||
| 143 | S | 87.6 | Confident | 88.1 | Confident | 44 Ų | 44 | 76.8 Ų | 76.8 | 31% | 0.308 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -28.4 | -173.3 | 58.1 | 0 | 0 | 0 | 0 | 113.5 | ||
| 144 | S | 88.4 | Confident | 87.8 | Confident | 94 Ų | 94 | 68.1 Ų | 68.1 | 66% | 0.657 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -34.4 | 179.9 | 48.1 | 0 | 0 | 0 | 0 | 112.8 | E142 | E142-S144 PolarHBondContact O-N 2.93Š|
| 145 | T | 89.4 | Confident | 87.5 | Confident | 74 Ų | 74 | 68.5 Ų | 68.5 | 45% | 0.454 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -10.5 | -178.4 | 61.7 | 0 | 0 | 0 | 0 | 113 | E142 S147 A148 | E142-T145 PolarHBondContact O-N 3.23Å; E142-T145 PolarHBondContact O-OG1 3.32Å; T145-S147 PolarHBondContact O-N 3.01Å; T145-S147 VanDerWaalsContact O-N 3.15Å; T145-A148 PolarHBondContact O-N 3.03Å |
| 146 | A | 86.5 | Confident | 87.1 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 45% | 0.45 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -29.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | I92 V96 Y141 E142 L149 | I92-A146 HydrophobicContact CG2-CB 3.88Å; V96-A146 HydrophobicContact CG2-CB 3.69Å; Y141-A146 HydrophobicContact CD2-CB 4.44Å; Y141-A146 HydrophobicContact CE2-CB 3.69Å; E142-A146 WeakPolarHBondContact O-CB 3.38Å; E142-A146 PolarHBondContact O-N 3.21Å; A146-L149 PolarHBondContact O-N 3.19Å |
| 147 | S | 82.9 | Confident | 86.7 | Confident | 67 Ų | 67 | 73.3 Ų | 73.3 | 47% | 0.469 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -38.6 | 176.4 | 51.5 | 0 | 0 | 0 | 0 | 112.3 | T145 L149 V150 A151 | T145-S147 PolarHBondContact O-N 3.01Å; T145-S147 VanDerWaalsContact O-N 3.15Å; S147-L149 VanDerWaalsContact C-N 3.27Å; S147-L149 PolarHBondContact O-N 3.18Å; S147-V150 PolarHBondContact O-N 3.03Å; S147-A151 PolarHBondContact O-N 2.87Å; S147-A151 VanDerWaalsContact O-N 3.16Å |
| 148 | A | 85.2 | Confident | 86.2 | Confident | 81 Ų | 81 | 70.6 Ų | 70.6 | 67% | 0.669 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -24.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | T145 V150 | T145-A148 PolarHBondContact O-N 3.03Å; A148-V150 VanDerWaalsContact C-N 3.32Å |
| 149 | L | 81.5 | Confident | 85.6 | Confident | 69 Ų | 69 | 65.4 Ų | 65.4 | 36% | 0.361 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -15.5 | 178.4 | -65.6 | 176.5 | 0 | 0 | 0 | 113.7 | L84 A146 S147 | L84-L149 HydrophobicContact CD1-CB 4.32Å; A146-L149 PolarHBondContact O-N 3.19Å; S147-L149 VanDerWaalsContact C-N 3.27Å; S147-L149 PolarHBondContact O-N 3.18Å |
| 150 | V | 80.4 | Confident | 84.9 | Confident | 13 Ų | 13 | 67.4 Ų | 67.4 | 8% | 0.079 | 43% | 0.43 | C | S | . | . | trans | -135.6 | 16.5 | -169 | -165.9 | 0 | 0 | 0 | 0 | 112.6 | Y89 I92 K93 S147 A148 | Y89-V150 HydrophobicContact CD1-CG1 4.36Å; Y89-V150 HydrophobicContact CD2-CB 4.4Å; Y89-V150 HydrophobicContact CD2-CG1 3.96Å; Y89-V150 HydrophobicContact CD2-CG2 4.14Å; Y89-V150 HydrophobicContact CE1-CG1 3.88Å; Y89-V150 HydrophobicContact CE2-CB 3.96Å; Y89-V150 HydrophobicContact CE2-CG1 3.47Å; Y89-V150 VanDerWaalsContact CE2-CG1 3.47Å; Y89-V150 HydrophobicContact CE2-CG2 4.2Å; Y89-V150 HydrophobicContact CG-CG1 4.39Å; Y89-V150 VanDerWaalsContact CZ-CG1 3.41Å; I92-V150 HydrophobicContact CB-CG2 3.82Å; I92-V150 HydrophobicContact CG2-CG2 3.34Å; K93-V150 HydrophobicContact CB-CG1 3.35Å; K93-V150 HydrophobicContact CD-CG1 3.79Å; K93-V150 HydrophobicContact CG-CG1 3.62Å; S147-V150 PolarHBondContact O-N 3.03Å; A148-V150 VanDerWaalsContact C-N 3.32Å | ||
| 151 | A | 58.7 | Low | 84.2 | Confident | 141 Ų | 141 | 60.8 Ų | 60.8 | 100% | 1.165 | 41% | 0.414 | S | S | * | . | trans | -66.7 | 0 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | S147 | S147-A151 PolarHBondContact O-N 2.87Å; S147-A151 VanDerWaalsContact O-N 3.16Å |
Retrieved 151 of 151 residues in 398.4 ms
(Link to these results)