| 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 | 43.9 | Very low | 31.4 | Very low | 217 Ų | 217 | 102.3 Ų | 102.3 | 100% | 1.069 | 62% | 0.621 | S | S | * | * | 0 | -16.2 | 0 | -66.2 | 174.7 | 82 | 0 | 0 | 114.4 | |||||
| 2 | I | 30.2 | Very low | 31.9 | Very low | 142 Ų | 142 | 101 Ų | 101 | 73% | 0.728 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -75.1 | -33.2 | -176 | -66.4 | 159.8 | 0 | 0 | 0 | 113.5 | S4 V5 V6 | I2-S4 VanDerWaalsContact C-N 3.31Å; I2-S4 PolarHBondContact O-N 3.27Å; I2-V5 PolarHBondContact O-N 3.38Å; I2-V6 HydrophobicContact CG2-CG2 4.48Å; I2-V6 WeakPolarHBondContact O-CG2 3.33Å; I2-V6 PolarHBondContact O-N 3.01Å |
| 3 | V | 26.6 | Very low | 32.6 | Very low | 113 Ų | 113 | 100 Ų | 100 | 69% | 0.685 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -65.1 | -32.7 | -175.5 | -176.5 | 0 | 0 | 0 | 0 | 112.6 | L7 | V3-L7 PolarHBondContact O-N 3.37Å |
| 4 | S | 27.5 | Very low | 33 | Very low | 90 Ų | 90 | 95.6 Ų | 95.6 | 63% | 0.629 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -72.4 | -31.8 | -179.2 | -49.6 | 0 | 0 | 0 | 0 | 113 | I2 A8 | I2-S4 VanDerWaalsContact C-N 3.31Å; I2-S4 PolarHBondContact O-N 3.27Å; S4-A8 PolarHBondContact O-N 3.45Å |
| 5 | V | 29.3 | Very low | 33.2 | Very low | 101 Ų | 101 | 99.5 Ų | 99.5 | 61% | 0.612 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -75.9 | -36.4 | -179.7 | -179.7 | 0 | 0 | 0 | 0 | 111 | I2 L7 A8 S9 | I2-V5 PolarHBondContact O-N 3.38Å; V5-L7 VanDerWaalsContact C-N 3.35Å; V5-A8 PolarHBondContact O-N 3.41Å; V5-S9 PolarHBondContact O-N 2.97Å; V5-S9 VanDerWaalsContact O-N 3.15Å; V5-S9 PolarHBondContact O-OG 3.29Å; V5-S9 VanDerWaalsContact O-OG 3.06Å |
| 6 | V | 28.9 | Very low | 33.7 | Very low | 89 Ų | 89 | 98.8 Ų | 98.8 | 54% | 0.539 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -69 | -33.6 | 177 | 179.1 | 0 | 0 | 0 | 0 | 111.7 | I2 S9 A10 | I2-V6 HydrophobicContact CG2-CG2 4.48Å; I2-V6 WeakPolarHBondContact O-CG2 3.33Å; I2-V6 PolarHBondContact O-N 3.01Å; V6-S9 PolarHBondContact O-OG 3.04Å; V6-S9 VanDerWaalsContact O-OG 3.11Å; V6-A10 WeakPolarHBondContact O-CB 3.34Å; V6-A10 PolarHBondContact O-N 3.43Å |
| 7 | L | 29.5 | Very low | 34.3 | Very low | 108 Ų | 108 | 95.2 Ų | 95.2 | 57% | 0.565 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -73.6 | -35.8 | 176.1 | -117.9 | 74.1 | 0 | 0 | 0 | 112.7 | V3 V5 S11 | V3-L7 PolarHBondContact O-N 3.37Å; V5-L7 VanDerWaalsContact C-N 3.35Å; L7-S11 PolarHBondContact O-N 2.93Å; L7-S11 VanDerWaalsContact O-N 3.13Å |
| 8 | A | 28.2 | Very low | 34.5 | Very low | 58 Ų | 58 | 93.1 Ų | 93.1 | 48% | 0.479 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -68.4 | -42.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | S4 V5 S11 V12 | S4-A8 PolarHBondContact O-N 3.45Å; V5-A8 PolarHBondContact O-N 3.41Å; A8-S11 WeakPolarHBondContact O-CB 3.34Å; A8-S11 PolarHBondContact O-N 2.91Å; A8-V12 WeakPolarHBondContact O-CG2 3.23Å; A8-V12 PolarHBondContact O-N 3.43Å; A8-V12 VanDerWaalsContact O-N 3.12Å |
| 9 | S | 31.7 | Very low | 34.6 | Very low | 64 Ų | 64 | 96.8 Ų | 96.8 | 45% | 0.448 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -67.7 | -37 | 176.6 | 52.6 | 0 | 0 | 0 | 0 | 112.3 | V5 V6 S11 V12 V13 | V5-S9 PolarHBondContact O-N 2.97Å; V5-S9 VanDerWaalsContact O-N 3.15Å; V5-S9 PolarHBondContact O-OG 3.29Å; V5-S9 VanDerWaalsContact O-OG 3.06Å; V6-S9 PolarHBondContact O-OG 3.04Å; V6-S9 VanDerWaalsContact O-OG 3.11Å; S9-S11 VanDerWaalsContact C-N 3.28Å; S9-S11 PolarHBondContact O-N 2.88Å; S9-V12 PolarHBondContact O-N 2.85Å; S9-V13 WeakPolarHBondContact O-CB 3.31Å; S9-V13 WeakPolarHBondContact O-CG2 3.32Å; S9-V13 PolarHBondContact O-N 3.34Å |
| 10 | A | 32.7 | Very low | 34.7 | Very low | 62 Ų | 62 | 101 Ų | 101 | 51% | 0.512 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.7 | -34 | 172 | 0 | 0 | 0 | 0 | 0 | 112.9 | V6 G14 | V6-A10 WeakPolarHBondContact O-CB 3.34Å; V6-A10 PolarHBondContact O-N 3.43Å; A10-G14 PolarHBondContact O-N 2.96Å |
| 11 | S | 37.1 | Very low | 34.7 | Very low | 81 Ų | 81 | 97.8 Ų | 97.8 | 57% | 0.566 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -70.8 | -39.7 | 177.3 | -170.4 | 0 | 0 | 0 | 0 | 112.6 | L7 A8 S9 Y15 | L7-S11 PolarHBondContact O-N 2.93Å; L7-S11 VanDerWaalsContact O-N 3.13Å; A8-S11 WeakPolarHBondContact O-CB 3.34Å; A8-S11 PolarHBondContact O-N 2.91Å; S9-S11 VanDerWaalsContact C-N 3.28Å; S9-S11 PolarHBondContact O-N 2.88Å; S11-Y15 WeakPolarHBondContact O-CB 3.39Å; S11-Y15 PolarHBondContact O-N 2.93Å |
| 12 | V | 37.4 | Very low | 34.2 | Very low | 87 Ų | 87 | 95.6 Ų | 95.6 | 53% | 0.527 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -71 | -44.5 | 177.6 | 175.7 | 0 | 0 | 0 | 0 | 110.3 | A8 S9 G14 Y15 L16 | A8-V12 WeakPolarHBondContact O-CG2 3.23Å; A8-V12 PolarHBondContact O-N 3.43Å; A8-V12 VanDerWaalsContact O-N 3.12Å; S9-V12 PolarHBondContact O-N 2.85Å; V12-G14 PolarHBondContact O-N 3.5Å; V12-Y15 PolarHBondContact O-N 3.42Å; V12-L16 HydrophobicContact CG1-CD1 3.62Å; V12-L16 WeakPolarHBondContact O-CD1 3.43Å; V12-L16 PolarHBondContact O-N 2.94Å |
| 13 | V | 40.6 | Very low | 34.1 | Very low | 88 Ų | 88 | 93.9 Ų | 93.9 | 53% | 0.533 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.7 | -44.8 | 177.2 | 173.4 | 0 | 0 | 0 | 0 | 110.8 | S9 Y15 L16 V17 | S9-V13 WeakPolarHBondContact O-CB 3.31Å; S9-V13 WeakPolarHBondContact O-CG2 3.32Å; S9-V13 PolarHBondContact O-N 3.34Å; V13-Y15 VanDerWaalsContact C-N 3.31Å; V13-Y15 PolarHBondContact O-N 3.43Å; V13-L16 PolarHBondContact O-N 2.86Å; V13-V17 HydrophobicContact CG1-CG2 4.21Å; V13-V17 VanDerWaalsContact O-CB 3.28Å; V13-V17 WeakPolarHBondContact O-CB 3.44Å; V13-V17 WeakPolarHBondContact O-CG2 3.45Å; V13-V17 PolarHBondContact O-N 2.86Å |
| 14 | G | 38.3 | Very low | 34.4 | Very low | 38 Ų | 38 | 89.3 Ų | 89.3 | 39% | 0.392 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61 | -37.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | A10 V12 A18 | A10-G14 PolarHBondContact O-N 2.96Å; V12-G14 PolarHBondContact O-N 3.5Å; G14-A18 WeakPolarHBondContact O-CB 3.33Å; G14-A18 PolarHBondContact O-N 3.11Å |
| 15 | Y | 36.9 | Very low | 34.6 | Very low | 154 Ų | 154 | 87.8 Ų | 87.8 | 60% | 0.604 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -70.8 | -41.3 | 178.3 | -165.4 | -96.8 | 0 | 0 | 0 | 112.7 | S11 V12 V13 R19 | S11-Y15 WeakPolarHBondContact O-CB 3.39Å; S11-Y15 PolarHBondContact O-N 2.93Å; V12-Y15 PolarHBondContact O-N 3.42Å; V13-Y15 VanDerWaalsContact C-N 3.31Å; V13-Y15 PolarHBondContact O-N 3.43Å; Y15-R19 HydrophobicContact CE1-CG 4.31Å; Y15-R19 WeakPolarHBondContact O-CB 3.44Å; Y15-R19 PolarHBondContact O-N 2.93Å |
| 16 | L | 40.6 | Very low | 34.7 | Very low | 89 Ų | 89 | 90.2 Ų | 90.2 | 47% | 0.466 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.9 | -40.2 | 173.5 | -93.3 | 126.1 | 0 | 0 | 0 | 111.9 | V12 V13 R20 | V12-L16 HydrophobicContact CG1-CD1 3.62Å; V12-L16 WeakPolarHBondContact O-CD1 3.43Å; V12-L16 PolarHBondContact O-N 2.94Å; V13-L16 PolarHBondContact O-N 2.86Å; L16-R20 WeakPolarHBondContact O-CB 3.47Å; L16-R20 VanDerWaalsContact O-CG 3.31Å; L16-R20 WeakPolarHBondContact O-CG 3.37Å; L16-R20 PolarHBondContact O-N 2.81Å |
| 17 | V | 43 | Very low | 34.7 | Very low | 37 Ų | 37 | 89.8 Ų | 89.8 | 22% | 0.224 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -64.1 | -46.8 | 176.2 | 162.3 | 0 | 0 | 0 | 0 | 111 | V13 R20 L21 I33 | V13-V17 HydrophobicContact CG1-CG2 4.21Å; V13-V17 VanDerWaalsContact O-CB 3.28Å; V13-V17 WeakPolarHBondContact O-CB 3.44Å; V13-V17 WeakPolarHBondContact O-CG2 3.45Å; V13-V17 PolarHBondContact O-N 2.86Å; V17-R20 PolarHBondContact O-N 2.96Å; V17-L21 HydrophobicContact CG1-CD1 3.79Å; V17-L21 WeakPolarHBondContact O-CB 3.28Å; V17-L21 WeakPolarHBondContact O-CD1 3.41Å; V17-L21 PolarHBondContact O-N 3.45Å; V17-I33 HydrophobicContact CB-CD1 4.13Å; V17-I33 HydrophobicContact CG1-CB 4.09Å; V17-I33 HydrophobicContact CG1-CD1 3.86Å; V17-I33 HydrophobicContact CG1-CG1 4.39Å; V17-I33 HydrophobicContact CG1-CG2 4.26Å; V17-I33 HydrophobicContact CG2-CD1 3.77Å; V17-I33 HydrophobicContact CG2-CG2 3.9Å |
| 18 | A | 38.1 | Very low | 34.9 | Very low | 58 Ų | 58 | 87.8 Ų | 87.8 | 48% | 0.479 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.2 | -41.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | G14 L21 F22 | G14-A18 WeakPolarHBondContact O-CB 3.33Å; G14-A18 PolarHBondContact O-N 3.11Å; A18-L21 PolarHBondContact O-N 3.13Å; A18-F22 WeakPolarHBondContact O-CB 3.39Å; A18-F22 PolarHBondContact O-N 3.43Å |
| 19 | R | 36.1 | Very low | 35 | Very low | 164 Ų | 164 | 87.5 Ų | 87.5 | 62% | 0.619 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.9 | -40.4 | 174.2 | -90.4 | -172.7 | 153.8 | -144.4 | -5.8 | 112.5 | Y15 F22 V23 | Y15-R19 HydrophobicContact CE1-CG 4.31Å; Y15-R19 WeakPolarHBondContact O-CB 3.44Å; Y15-R19 PolarHBondContact O-N 2.93Å; R19-F22 PolarHBondContact O-N 3.2Å; R19-V23 WeakPolarHBondContact O-CG2 3.43Å; R19-V23 PolarHBondContact O-N 3.34Å; R19-V23 VanDerWaalsContact O-N 3.09Å |
| 20 | R | 36.8 | Very low | 35.1 | Very low | 180 Ų | 180 | 86.5 Ų | 86.5 | 68% | 0.679 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -71.7 | -35.6 | 177.9 | -75 | -174.5 | 171.8 | -171.9 | -2.1 | 112.3 | L16 V17 F22 V23 A24 | L16-R20 WeakPolarHBondContact O-CB 3.47Å; L16-R20 VanDerWaalsContact O-CG 3.31Å; L16-R20 WeakPolarHBondContact O-CG 3.37Å; L16-R20 PolarHBondContact O-N 2.81Å; V17-R20 PolarHBondContact O-N 2.96Å; R20-F22 VanDerWaalsContact C-N 3.32Å; R20-V23 PolarHBondContact O-N 3.26Å; R20-A24 VanDerWaalsContact O-CB 3.25Å; R20-A24 WeakPolarHBondContact O-CB 3.18Å; R20-A24 PolarHBondContact O-N 3.31Å |
| 21 | L | 36 | Very low | 35.1 | Very low | 34 Ų | 34 | 89.3 Ų | 89.3 | 18% | 0.178 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -63.5 | -37.8 | 170.5 | -105.3 | 113.6 | 0 | 0 | 0 | 112.2 | V17 A18 A24 A25 L30 I33 W57 | V17-L21 HydrophobicContact CG1-CD1 3.79Å; V17-L21 WeakPolarHBondContact O-CB 3.28Å; V17-L21 WeakPolarHBondContact O-CD1 3.41Å; V17-L21 PolarHBondContact O-N 3.45Å; A18-L21 PolarHBondContact O-N 3.13Å; L21-A24 PolarHBondContact O-N 3.43Å; L21-A25 WeakPolarHBondContact O-CB 3.45Å; L21-A25 PolarHBondContact O-N 3.23Å; L21-L30 HydrophobicContact CD2-CD2 3.82Å; L21-L30 HydrophobicContact CD2-CG 4.41Å; L21-I33 HydrophobicContact CD1-CD1 4.36Å; L21-I33 HydrophobicContact CD1-CG1 4.37Å; L21-W57 HydrophobicContact CD2-CZ2 4.46Å |
| 22 | F | 32.1 | Very low | 35 | Very low | 170 Ų | 170 | 87.7 Ų | 87.7 | 75% | 0.746 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -69.2 | -39.4 | 178.6 | -168.9 | -96.9 | 0 | 0 | 0 | 112.4 | A18 R19 R20 | A18-F22 WeakPolarHBondContact O-CB 3.39Å; A18-F22 PolarHBondContact O-N 3.43Å; R19-F22 PolarHBondContact O-N 3.2Å; R20-F22 VanDerWaalsContact C-N 3.32Å |
| 23 | V | 29.8 | Very low | 34.8 | Very low | 106 Ų | 106 | 86.5 Ų | 86.5 | 64% | 0.642 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -70.1 | -32.9 | 175.7 | 173.9 | 0 | 0 | 0 | 0 | 111.8 | R19 R20 D26 | R19-V23 WeakPolarHBondContact O-CG2 3.43Å; R19-V23 PolarHBondContact O-N 3.34Å; R19-V23 VanDerWaalsContact O-N 3.09Å; R20-V23 PolarHBondContact O-N 3.26Å; V23-D26 PolarHBondContact O-N 3.38Å |
| 24 | A | 31.8 | Very low | 34.4 | Very low | 18 Ų | 18 | 87 Ų | 87 | 15% | 0.149 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -76.6 | -26.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | R20 L21 D26 S27 C29 | R20-A24 VanDerWaalsContact O-CB 3.25Å; R20-A24 WeakPolarHBondContact O-CB 3.18Å; R20-A24 PolarHBondContact O-N 3.31Å; L21-A24 PolarHBondContact O-N 3.43Å; A24-D26 VanDerWaalsContact C-N 3.3Å; A24-S27 PolarHBondContact O-N 2.92Å; A24-S27 PolarHBondContact O-OG 3.19Å; A24-C29 WeakPolarHBondContact CB-O 3.45Å; A24-C29 CarbonylContact O-C 3.57Å; A24-C29 PolarHBondContact O-N 3.13Å |
| 25 | A | 31.8 | Very low | 34 | Very low | 57 Ų | 57 | 95.3 Ų | 95.3 | 47% | 0.471 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69.6 | -27.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L21 S27 L30 | L21-A25 WeakPolarHBondContact O-CB 3.45Å; L21-A25 PolarHBondContact O-N 3.23Å; A25-S27 VanDerWaalsContact C-N 3.32Å; A25-L30 HydrophobicContact CB-CD1 3.67Å |
| 26 | D | 32.4 | Very low | 33.6 | Very low | 153 Ų | 153 | 90.7 Ų | 90.7 | 82% | 0.818 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -77.4 | -20.1 | 177.8 | -154.1 | 65.7 | 0 | 0 | 0 | 112.2 | V23 A24 | V23-D26 PolarHBondContact O-N 3.38Å; A24-D26 VanDerWaalsContact C-N 3.3Å |
| 27 | S | 27.9 | Very low | 32.9 | Very low | 80 Ų | 80 | 90.5 Ų | 90.5 | 56% | 0.559 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.1 | 17.8 | -178.9 | 66.3 | 0 | 0 | 0 | 0 | 114.6 | A24 A25 C29 | A24-S27 PolarHBondContact O-N 2.92Å; A24-S27 PolarHBondContact O-OG 3.19Å; A25-S27 VanDerWaalsContact C-N 3.32Å; S27-C29 PolarHBondContact O-N 3.32Å; S27-C29 VanDerWaalsContact O-N 3.12Å |
| 28 | G | 33.2 | Very low | 32.1 | Very low | 65 Ų | 65 | 97.1 Ų | 97.1 | 67% | 0.67 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.4 | 6.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 29 | C | 30.9 | Very low | 31.6 | Very low | 52 Ų | 52 | 101 Ų | 101 | 35% | 0.351 | 56% | 0.558 | S | S | . | * | trans | -123.8 | 82.8 | -174.3 | -64.8 | 0 | 0 | 0 | 0 | 110.2 | A24 S27 W31 | A24-C29 WeakPolarHBondContact CB-O 3.45Å; A24-C29 CarbonylContact O-C 3.57Å; A24-C29 PolarHBondContact O-N 3.13Å; S27-C29 PolarHBondContact O-N 3.32Å; S27-C29 VanDerWaalsContact O-N 3.12Å; C29-W31 PolarHBondContact O-N 2.97Å | ||
| 30 | L | 34 | Very low | 31.4 | Very low | 43 Ų | 43 | 99 Ų | 99 | 23% | 0.225 | 57% | 0.565 | C | S | . | * | trans | -84.9 | 108.1 | -175.6 | -149.5 | 121 | 0 | 0 | 0 | 112.7 | L21 A25 L56 W57 | L21-L30 HydrophobicContact CD2-CD2 3.82Å; L21-L30 HydrophobicContact CD2-CG 4.41Å; A25-L30 HydrophobicContact CB-CD1 3.67Å; L30-L56 HydrophobicContact CB-CD1 4.45Å; L30-L56 HydrophobicContact CD1-CD1 3.88Å; L30-L56 HydrophobicContact CD1-CD2 4.27Å; L30-L56 HydrophobicContact CD1-CG 4.13Å; L30-L56 HydrophobicContact CD2-CD1 4.46Å; L30-L56 HydrophobicContact CD2-CD2 4Å; L30-L56 HydrophobicContact CD2-CG 3.82Å; L30-L56 HydrophobicContact CG-CD1 4.46Å; L30-L56 HydrophobicContact CG-CG 4.34Å; L30-W57 HydrophobicContact CD2-CG 4.16Å | ||
| 31 | W | 33.1 | Very low | 31.2 | Very low | 121 Ų | 121 | 97.9 Ų | 97.9 | 46% | 0.458 | 57% | 0.568 | S | S | . | * | trans | -83.9 | 131.2 | 176.4 | -81.8 | 52.6 | 0 | 0 | 0 | 112.4 | C29 M39 | C29-W31 PolarHBondContact O-N 2.97Å; W31-M39 HydrophobicContact CE3-CE 3.71Å; W31-M39 HydrophobicContact CZ3-CE 3.62Å; W31-M39 HydrophobicContact CZ3-CG 4.05Å; W31-M39 HydrophobicContact CZ3-SD 3.89Å | ||
| 32 | G | 33.9 | Very low | 30.9 | Very low | 48 Ų | 48 | 103.8 Ų | 103.8 | 50% | 0.495 | 60% | 0.598 | S | S | . | * | trans | -84.8 | 128.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 33 | I | 34.6 | Very low | 30.7 | Very low | 62 Ų | 62 | 100.2 Ų | 100.2 | 32% | 0.318 | 60% | 0.595 | S | S | . | * | trans | -103.6 | 89.6 | 179.1 | -61.9 | -172.1 | 0 | 0 | 0 | 110.5 | V17 L21 I59 | V17-I33 HydrophobicContact CB-CD1 4.13Å; V17-I33 HydrophobicContact CG1-CB 4.09Å; V17-I33 HydrophobicContact CG1-CD1 3.86Å; V17-I33 HydrophobicContact CG1-CG1 4.39Å; V17-I33 HydrophobicContact CG1-CG2 4.26Å; V17-I33 HydrophobicContact CG2-CD1 3.77Å; V17-I33 HydrophobicContact CG2-CG2 3.9Å; L21-I33 HydrophobicContact CD1-CD1 4.36Å; L21-I33 HydrophobicContact CD1-CG1 4.37Å; I33-I59 WeakPolarHBondContact O-CD1 3.25Å | ||
| 34 | L | 31.6 | Very low | 30.7 | Very low | 97 Ų | 97 | 101.4 Ų | 101.4 | 51% | 0.508 | 60% | 0.597 | S | S | . | * | trans | -66.7 | 129 | 176.7 | -144.2 | 84.8 | 0 | 0 | 0 | 111.2 | G36 I59 M65 | L34-G36 PolarHBondContact O-N 3.38Å; L34-I59 HydrophobicContact CD1-CD1 4.4Å; L34-M65 HydrophobicContact CD1-CE 3.7Å; L34-M65 HydrophobicContact CD1-SD 4.48Å | ||
| 35 | K | 29.9 | Very low | 30.4 | Very low | 213 Ų | 213 | 105.8 Ų | 105.8 | 93% | 0.926 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -72.1 | 90.4 | 170.8 | -157.3 | -167.8 | -170.3 | -168.8 | 0 | 108.8 | ||
| 36 | G | 29.2 | Very low | 30.2 | Very low | 58 Ų | 58 | 108 Ų | 108 | 60% | 0.598 | 64% | 0.638 | S | S | * | * | S | Bend | trans | 132.3 | 81.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | L34 K38 | L34-G36 PolarHBondContact O-N 3.38Å; G36-K38 PolarHBondContact O-N 3.1Å |
| 37 | G | 25.3 | Very low | 30 | Very low | 84 Ų | 84 | 105.6 Ų | 105.6 | 87% | 0.866 | 63% | 0.633 | S | S | * | * | S | Bend | trans | 71.1 | 3.8 | 139.8 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||
| 38 | K | 25.9 | Very low | 29.8 | Very low | 176 Ų | 176 | 104.6 Ų | 104.6 | 77% | 0.765 | 64% | 0.635 | S | S | * | * | trans | -143.6 | 108 | 169 | -80.4 | -173.9 | 174.5 | 175.2 | 0 | 111.7 | G36 T40 | G36-K38 PolarHBondContact O-N 3.1Å; K38-T40 PolarHBondContact O-N 3.01Å | ||
| 39 | M | 28.3 | Very low | 29.4 | Very low | 139 Ų | 139 | 106.3 Ų | 106.3 | 69% | 0.685 | 64% | 0.637 | S | S | * | * | trans | -83.5 | 94.1 | 166.4 | -140.1 | 169.5 | -156.6 | 0 | 0 | 105.8 | W31 Q41 | W31-M39 HydrophobicContact CE3-CE 3.71Å; W31-M39 HydrophobicContact CZ3-CE 3.62Å; W31-M39 HydrophobicContact CZ3-CG 4.05Å; W31-M39 HydrophobicContact CZ3-SD 3.89Å; M39-Q41 PolarHBondContact O-N 2.87Å | ||
| 40 | T | 30.9 | Very low | 29 | Very low | 124 Ų | 124 | 110.4 Ų | 110.4 | 76% | 0.761 | 66% | 0.66 | S | S | * | * | trans | -73 | 106.2 | 166.7 | -1.1 | 0 | 0 | 0 | 0 | 106 | K38 L42 | K38-T40 PolarHBondContact O-N 3.01Å; T40-L42 PolarHBondContact O-N 3.41Å | ||
| 41 | Q | 32.4 | Very low | 28.6 | Very low | 156 Ų | 156 | 113 Ų | 113 | 73% | 0.729 | 69% | 0.688 | S | S | * | * | trans | -52.8 | 108 | 162.2 | -83.7 | 177.1 | -27.3 | 0 | 0 | 106.8 | M39 S43 | M39-Q41 PolarHBondContact O-N 2.87Å; Q41-S43 VanDerWaalsContact C-N 3.35Å; Q41-S43 PolarHBondContact O-N 2.98Å | ||
| 42 | L | 29.3 | Very low | 28.4 | Very low | 158 Ų | 158 | 113.8 Ų | 113.8 | 83% | 0.827 | 70% | 0.701 | S | S | * | * | trans | -77.3 | 101 | 159.1 | -84.5 | 156.6 | 0 | 0 | 0 | 104.2 | T40 D44 | T40-L42 PolarHBondContact O-N 3.41Å; L42-D44 PolarHBondContact O-N 3.35Å; L42-D44 VanDerWaalsContact O-N 3.14Å | ||
| 43 | S | 29.5 | Very low | 28.1 | Very low | 95 Ų | 95 | 120.4 Ų | 120.4 | 66% | 0.664 | 72% | 0.724 | S | S | * | * | trans | -54.3 | 117.2 | -176.9 | -70.5 | 0 | 0 | 0 | 0 | 110.5 | Q41 S45 | Q41-S43 VanDerWaalsContact C-N 3.35Å; Q41-S43 PolarHBondContact O-N 2.98Å; S43-S45 PolarHBondContact O-N 2.97Å; S43-S45 VanDerWaalsContact O-N 3.08Å; S43-S45 PolarHBondContact O-OG 2.72Å | ||
| 44 | D | 28.2 | Very low | 27.8 | Very low | 131 Ų | 131 | 119.3 Ų | 119.3 | 70% | 0.701 | 73% | 0.728 | S | S | * | * | trans | -39.8 | 111.1 | 160.1 | -64.4 | -48.4 | 0 | 0 | 0 | 109.8 | L42 | L42-D44 PolarHBondContact O-N 3.35Å; L42-D44 VanDerWaalsContact O-N 3.14Å | ||
| 45 | S | 27.1 | Very low | 27.7 | Very low | 109 Ų | 109 | 119 Ų | 119 | 76% | 0.762 | 73% | 0.733 | S | S | * | * | trans | -149.3 | 4.6 | 171.2 | 43 | 0 | 0 | 0 | 0 | 116.4 | S43 | S43-S45 PolarHBondContact O-N 2.97Å; S43-S45 VanDerWaalsContact O-N 3.08Å; S43-S45 PolarHBondContact O-OG 2.72Å | ||
| 46 | S | 27.8 | Very low | 27.8 | Very low | 103 Ų | 103 | 115.2 Ų | 115.2 | 72% | 0.72 | 72% | 0.722 | S | S | * | * | trans | -152.9 | 15.8 | 178.2 | 53.1 | 0 | 0 | 0 | 0 | 117.5 | G48 | S46-G48 PolarHBondContact O-N 3.44Š| ||
| 47 | C | 27 | Very low | 28 | Very low | 104 Ų | 104 | 118.2 Ų | 118.2 | 70% | 0.703 | 72% | 0.715 | S | S | * | * | trans | -81.1 | 54.5 | 177 | -37.9 | 0 | 0 | 0 | 0 | 111.3 | S49 | C47-S49 PolarHBondContact O-N 3.08Š| ||
| 48 | G | 24 | Very low | 28.2 | Very low | 58 Ų | 58 | 115.7 Ų | 115.7 | 60% | 0.598 | 69% | 0.689 | S | S | * | * | trans | -80.6 | 113.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | S46 | S46-G48 PolarHBondContact O-N 3.44Š| ||
| 49 | S | 24.5 | Very low | 28.5 | Very low | 102 Ų | 102 | 110 Ų | 110 | 71% | 0.713 | 67% | 0.667 | S | S | * | * | S | Bend | trans | 47.2 | 119.2 | 154.9 | 53.8 | 0 | 0 | 0 | 0 | 117.4 | C47 | C47-S49 PolarHBondContact O-N 3.08Š|
| 50 | T | 23.5 | Very low | 28.6 | Very low | 137 Ų | 137 | 110.1 Ų | 110.1 | 84% | 0.84 | 67% | 0.669 | S | S | * | * | S | Bend | trans | 66.4 | 109 | 167.3 | 43.5 | 0 | 0 | 0 | 0 | 116.1 | ||
| 51 | A | 25.1 | Very low | 28.6 | Very low | 97 Ų | 97 | 113.9 Ų | 113.9 | 80% | 0.802 | 68% | 0.675 | S | S | * | * | trans | 61 | 71.5 | 152.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 52 | D | 28.9 | Very low | 28.3 | Very low | 139 Ų | 139 | 110.3 Ų | 110.3 | 74% | 0.743 | 68% | 0.68 | S | S | * | * | trans | -121.7 | 80.6 | 162.9 | -121.7 | -24.8 | 0 | 0 | 0 | 109.3 | G54 | D52-G54 PolarHBondContact O-N 2.97Š| ||
| 53 | L | 27.7 | Very low | 28.1 | Very low | 186 Ų | 186 | 106.1 Ų | 106.1 | 97% | 0.974 | 68% | 0.676 | S | S | * | * | trans | -69.7 | 25.4 | 175.3 | -85.2 | 158.8 | 0 | 0 | 0 | 112.5 | ||||
| 54 | G | 28.4 | Very low | 27.9 | Very low | 39 Ų | 39 | 111.5 Ų | 111.5 | 40% | 0.402 | 69% | 0.687 | S | S | . | * | trans | -98.6 | -4.8 | -156.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | D52 | D52-G54 PolarHBondContact O-N 2.97Š| ||
| 55 | C | 28.1 | Very low | 27.9 | Very low | 90 Ų | 90 | 111.3 Ų | 111.3 | 61% | 0.608 | 68% | 0.683 | S | S | * | * | trans | -128.3 | 89.4 | -164.8 | -60.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 56 | L | 31.5 | Very low | 28.2 | Very low | 134 Ų | 134 | 110.1 Ų | 110.1 | 70% | 0.702 | 68% | 0.68 | S | S | * | * | trans | -144.7 | 142.9 | 165.9 | -101.8 | 106.6 | 0 | 0 | 0 | 107.9 | L30 | L30-L56 HydrophobicContact CB-CD1 4.45Å; L30-L56 HydrophobicContact CD1-CD1 3.88Å; L30-L56 HydrophobicContact CD1-CD2 4.27Å; L30-L56 HydrophobicContact CD1-CG 4.13Å; L30-L56 HydrophobicContact CD2-CD1 4.46Å; L30-L56 HydrophobicContact CD2-CD2 4Å; L30-L56 HydrophobicContact CD2-CG 3.82Å; L30-L56 HydrophobicContact CG-CD1 4.46Å; L30-L56 HydrophobicContact CG-CG 4.34Å | ||
| 57 | W | 34.6 | Very low | 28.4 | Very low | 121 Ų | 121 | 113.7 Ų | 113.7 | 46% | 0.458 | 69% | 0.686 | S | S | . | * | cis | -176.2 | 175.5 | -3.1 | -178.8 | 67.4 | 0 | 0 | 0 | 105.3 | L21 L30 I59 | L21-W57 HydrophobicContact CD2-CZ2 4.46Å; L30-W57 HydrophobicContact CD2-CG 4.16Å; W57-I59 HydrophobicContact CH2-CB 3.82Å; W57-I59 WeakPolarHBondContact CH2-O 3.16Å; W57-I59 HydrophobicContact CZ2-CB 4.07Å; W57-I59 HydrophobicContact CZ2-CG1 4.31Å; W57-I59 HydrophobicContact CZ3-CB 4.31Å; W57-I59 VanDerWaalsContact CZ3-N 3.33Å; W57-I59 WeakPolarHBondContact CZ3-O 3.22Å | ||
| 58 | G | 28.8 | Very low | 28.5 | Very low | 31 Ų | 31 | 116.8 Ų | 116.8 | 32% | 0.32 | 69% | 0.694 | S | S | . | * | trans | -164.3 | 106.7 | 159.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 59 | I | 32.1 | Very low | 28.8 | Very low | 57 Ų | 57 | 118.3 Ų | 118.3 | 29% | 0.292 | 70% | 0.695 | S | S | . | * | trans | -149.6 | 101.8 | 143.2 | -52.3 | -177.9 | 0 | 0 | 0 | 110.3 | I33 L34 W57 | I33-I59 WeakPolarHBondContact O-CD1 3.25Å; L34-I59 HydrophobicContact CD1-CD1 4.4Å; W57-I59 HydrophobicContact CH2-CB 3.82Å; W57-I59 WeakPolarHBondContact CH2-O 3.16Å; W57-I59 HydrophobicContact CZ2-CB 4.07Å; W57-I59 HydrophobicContact CZ2-CG1 4.31Å; W57-I59 HydrophobicContact CZ3-CB 4.31Å; W57-I59 VanDerWaalsContact CZ3-N 3.33Å; W57-I59 WeakPolarHBondContact CZ3-O 3.22Å | ||
| 60 | L | 30.6 | Very low | 29.1 | Very low | 141 Ų | 141 | 120.4 Ų | 120.4 | 74% | 0.738 | 70% | 0.699 | S | S | * | * | trans | -109.5 | 141.7 | 160.9 | -150.6 | 79.5 | 0 | 0 | 0 | 109.5 | G62 | L60-G62 PolarHBondContact O-N 2.93Å; L60-G62 VanDerWaalsContact O-N 3.12Å | ||
| 61 | K | 30.9 | Very low | 29.3 | Very low | 203 Ų | 203 | 118.3 Ų | 118.3 | 88% | 0.883 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -46 | 116 | 170.1 | -85.4 | -171.3 | 171.7 | -176.2 | 0 | 110.5 | ||
| 62 | G | 26.5 | Very low | 29.4 | Very low | 81 Ų | 81 | 119.3 Ų | 119.3 | 84% | 0.835 | 69% | 0.691 | S | S | * | * | S | Bend | trans | 69.2 | 102.9 | 163 | 0 | 0 | 0 | 0 | 0 | 114.8 | L60 | L60-G62 PolarHBondContact O-N 2.93Å; L60-G62 VanDerWaalsContact O-N 3.12Å |
| 63 | G | 24.6 | Very low | 29.3 | Very low | 71 Ų | 71 | 118 Ų | 118 | 73% | 0.732 | 69% | 0.691 | S | S | * | * | S | Bend | trans | 118.7 | 110.3 | 166.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 64 | K | 25.7 | Very low | 29.3 | Very low | 208 Ų | 208 | 111 Ų | 111 | 90% | 0.904 | 67% | 0.665 | S | S | * | * | trans | 33.2 | 101.1 | 156.8 | -71.2 | -179.7 | 171 | -178.9 | 0 | 116.8 | A66 | K64-A66 PolarHBondContact O-N 2.85Š| ||
| 65 | M | 29.2 | Very low | 29.3 | Very low | 126 Ų | 126 | 115.6 Ų | 115.6 | 62% | 0.621 | 69% | 0.685 | S | S | * | * | trans | -72.7 | 112.4 | 152.7 | -70.5 | -173.1 | -63.1 | 0 | 0 | 107.9 | L34 Q67 | L34-M65 HydrophobicContact CD1-CE 3.7Å; L34-M65 HydrophobicContact CD1-SD 4.48Å; M65-Q67 PolarHBondContact O-N 2.87Å | ||
| 66 | A | 32.1 | Very low | 29.4 | Very low | 84 Ų | 84 | 117.6 Ų | 117.6 | 69% | 0.694 | 70% | 0.695 | S | S | * | * | trans | -70.7 | 121.8 | 161.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | K64 L68 | K64-A66 PolarHBondContact O-N 2.85Å; A66-L68 PolarHBondContact O-N 3.48Å | ||
| 67 | Q | 31.8 | Very low | 29.3 | Very low | 179 Ų | 179 | 113.6 Ų | 113.6 | 84% | 0.836 | 68% | 0.681 | S | S | * | * | trans | -58.7 | 106.2 | 161.8 | -80.5 | 174.2 | -44.5 | 0 | 0 | 107.1 | M65 S69 | M65-Q67 PolarHBondContact O-N 2.87Å; Q67-S69 VanDerWaalsContact C-N 3.31Å; Q67-S69 PolarHBondContact O-N 3.11Å | ||
| 68 | L | 30 | Very low | 29.3 | Very low | 169 Ų | 169 | 113.2 Ų | 113.2 | 89% | 0.885 | 69% | 0.688 | S | S | * | * | trans | -84.1 | 92.4 | 157.9 | -76.2 | 164 | 0 | 0 | 0 | 104.7 | A66 D70 | A66-L68 PolarHBondContact O-N 3.48Å; L68-D70 PolarHBondContact O-N 2.82Å | ||
| 69 | S | 29.7 | Very low | 29.3 | Very low | 89 Ų | 89 | 116.7 Ų | 116.7 | 62% | 0.622 | 71% | 0.707 | S | S | * | * | trans | -60.3 | 130.7 | 173.5 | -62.1 | 0 | 0 | 0 | 0 | 108.9 | Q67 S71 | Q67-S69 VanDerWaalsContact C-N 3.31Å; Q67-S69 PolarHBondContact O-N 3.11Å; S69-S71 PolarHBondContact O-N 3.46Å | ||
| 70 | D | 30.8 | Very low | 29.1 | Very low | 147 Ų | 147 | 117.7 Ų | 117.7 | 79% | 0.786 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -42.5 | 98.6 | 166.5 | -79.3 | -43.3 | 0 | 0 | 0 | 110.3 | L68 | L68-D70 PolarHBondContact O-N 2.82Š|
| 71 | S | 27.7 | Very low | 29 | Very low | 92 Ų | 92 | 114.8 Ų | 114.8 | 64% | 0.643 | 71% | 0.714 | S | S | * | * | trans | -158.2 | 97.2 | 173.7 | -63.1 | 0 | 0 | 0 | 0 | 106.9 | S69 | S69-S71 PolarHBondContact O-N 3.46Š| ||
| 72 | S | 28 | Very low | 28.9 | Very low | 118 Ų | 118 | 110.5 Ų | 110.5 | 83% | 0.825 | 70% | 0.7 | S | S | * | * | trans | 63.5 | 73.3 | 161.5 | 55.6 | 0 | 0 | 0 | 0 | 117.1 | G74 | S72-G74 PolarHBondContact O-N 2.84Š| ||
| 73 | C | 27 | Very low | 28.9 | Very low | 111 Ų | 111 | 109.9 Ų | 109.9 | 75% | 0.75 | 68% | 0.683 | S | S | * | * | trans | -74.9 | 62.8 | 153.8 | -49.5 | 0 | 0 | 0 | 0 | 109.2 | T75 | C73-T75 PolarHBondContact O-N 3.42Š| ||
| 74 | G | 26.7 | Very low | 29.2 | Very low | 41 Ų | 41 | 108.8 Ų | 108.8 | 42% | 0.423 | 67% | 0.672 | S | S | . | * | trans | -75.6 | 102.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | S72 T76 | S72-G74 PolarHBondContact O-N 2.84Å; G74-T76 PolarHBondContact O-N 3.27Å; G74-T76 PolarHBondContact O-OG1 3.43Å; G74-T76 VanDerWaalsContact O-OG1 3.12Å | ||
| 75 | T | 29.7 | Very low | 29.6 | Very low | 134 Ų | 134 | 103.3 Ų | 103.3 | 82% | 0.822 | 65% | 0.652 | S | S | * | * | S | Bend | trans | 42.8 | 4.1 | 146.6 | 59.9 | 0 | 0 | 0 | 0 | 121.7 | C73 | C73-T75 PolarHBondContact O-N 3.42Š|
| 76 | T | 29.8 | Very low | 29.6 | Very low | 133 Ų | 133 | 100.3 Ų | 100.3 | 82% | 0.816 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -139 | 0.2 | -175.4 | 13.8 | 0 | 0 | 0 | 0 | 114.2 | G74 | G74-T76 PolarHBondContact O-N 3.27Å; G74-T76 PolarHBondContact O-OG1 3.43Å; G74-T76 VanDerWaalsContact O-OG1 3.12Å |
| 77 | A | 29.5 | Very low | 29.6 | Very low | 50 Ų | 50 | 104 Ų | 104 | 41% | 0.413 | 64% | 0.644 | S | S | . | * | trans | -98.3 | 2.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | S79 A80 C81 | A77-S79 VanDerWaalsContact C-N 3.28Å; A77-S79 PolarHBondContact O-N 2.91Å; A77-S79 VanDerWaalsContact O-N 3.15Å; A77-A80 PolarHBondContact O-N 3.43Å; A77-C81 PolarHBondContact O-N 3.15Å | ||
| 78 | D | 34.2 | Very low | 29.7 | Very low | 112 Ų | 112 | 97.7 Ų | 97.7 | 60% | 0.599 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -60.2 | -30.1 | -170.5 | -77.2 | -22.4 | 0 | 0 | 0 | 114.1 | L82 | D78-L82 WeakPolarHBondContact O-CB 3.39Å; D78-L82 WeakPolarHBondContact O-CD1 3.44Å; D78-L82 PolarHBondContact O-N 3.46Å |
| 79 | S | 28.2 | Very low | 30 | Very low | 105 Ų | 105 | 92.7 Ų | 92.7 | 73% | 0.734 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -80.5 | -33.2 | -178.6 | -60.1 | 0 | 0 | 0 | 0 | 113.6 | A77 S83 | A77-S79 VanDerWaalsContact C-N 3.28Å; A77-S79 PolarHBondContact O-N 2.91Å; A77-S79 VanDerWaalsContact O-N 3.15Å; S79-S83 WeakPolarHBondContact O-CB 3.14Å; S79-S83 PolarHBondContact O-N 3.45Å; S79-S83 VanDerWaalsContact O-N 3.1Å |
| 80 | A | 28.1 | Very low | 30.1 | Very low | 77 Ų | 77 | 95 Ų | 95 | 64% | 0.636 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -78.8 | -37.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | A77 S83 G84 | A77-A80 PolarHBondContact O-N 3.43Å; A80-S83 PolarHBondContact O-N 2.84Å; A80-G84 PolarHBondContact O-N 2.95Å |
| 81 | C | 30 | Very low | 30.4 | Very low | 80 Ų | 80 | 94.1 Ų | 94.1 | 54% | 0.541 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.7 | -43 | 175.3 | -72 | 0 | 0 | 0 | 0 | 111.3 | A77 G84 I85 | A77-C81 PolarHBondContact O-N 3.15Å; C81-G84 PolarHBondContact O-N 3.33Å; C81-I85 VanDerWaalsContact O-CD1 3.23Å; C81-I85 WeakPolarHBondContact O-CD1 3.41Å; C81-I85 WeakPolarHBondContact O-CG1 3.45Å; C81-I85 PolarHBondContact O-N 3.37Å |
| 82 | L | 28.3 | Very low | 30.8 | Very low | 113 Ų | 113 | 94.5 Ų | 94.5 | 59% | 0.592 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -67.9 | -34.4 | 174.7 | -89.8 | 130.1 | 0 | 0 | 0 | 113.9 | D78 G84 I85 S86 | D78-L82 WeakPolarHBondContact O-CB 3.39Å; D78-L82 WeakPolarHBondContact O-CD1 3.44Å; D78-L82 PolarHBondContact O-N 3.46Å; L82-G84 VanDerWaalsContact C-N 3.32Å; L82-G84 PolarHBondContact O-N 2.7Å; L82-I85 PolarHBondContact O-N 3.4Å; L82-S86 PolarHBondContact O-N 2.89Å; L82-S86 VanDerWaalsContact O-N 3.08Å |
| 83 | S | 26.7 | Very low | 31.1 | Very low | 68 Ų | 68 | 95.2 Ų | 95.2 | 48% | 0.476 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -69.7 | -28.3 | 178.4 | -174.1 | 0 | 0 | 0 | 0 | 113.3 | S79 A80 | S79-S83 WeakPolarHBondContact O-CB 3.14Å; S79-S83 PolarHBondContact O-N 3.45Å; S79-S83 VanDerWaalsContact O-N 3.1Å; A80-S83 PolarHBondContact O-N 2.84Å |
| 84 | G | 29.8 | Very low | 31.5 | Very low | 48 Ų | 48 | 93.8 Ų | 93.8 | 50% | 0.495 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -73.8 | -37.9 | 172 | 0 | 0 | 0 | 0 | 0 | 112.5 | A80 C81 L82 S86 K87 G88 | A80-G84 PolarHBondContact O-N 2.95Å; C81-G84 PolarHBondContact O-N 3.33Å; L82-G84 VanDerWaalsContact C-N 3.32Å; L82-G84 PolarHBondContact O-N 2.7Å; G84-S86 PolarHBondContact O-N 2.88Å; G84-K87 PolarHBondContact O-N 2.86Å; G84-G88 PolarHBondContact O-N 3.31Å; G84-G88 VanDerWaalsContact O-N 3.14Å |
| 85 | I | 33.7 | Very low | 32 | Very low | 94 Ų | 94 | 94.3 Ų | 94.3 | 48% | 0.482 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.8 | -41.3 | 176.9 | -67.4 | 163.5 | 0 | 0 | 0 | 110.8 | C81 L82 K87 T89 | C81-I85 VanDerWaalsContact O-CD1 3.23Å; C81-I85 WeakPolarHBondContact O-CD1 3.41Å; C81-I85 WeakPolarHBondContact O-CG1 3.45Å; C81-I85 PolarHBondContact O-N 3.37Å; L82-I85 PolarHBondContact O-N 3.4Å; I85-K87 PolarHBondContact O-N 3.45Å; I85-T89 WeakPolarHBondContact O-CB 3.26Å; I85-T89 PolarHBondContact O-N 3.31Å; I85-T89 VanDerWaalsContact O-N 3.11Å; I85-T89 PolarHBondContact O-OG1 2.91Å |
| 86 | S | 30 | Very low | 32.3 | Very low | 63 Ų | 63 | 91.5 Ų | 91.5 | 44% | 0.441 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61 | -36.8 | 176.9 | 166.7 | 0 | 0 | 0 | 0 | 113.5 | L82 G84 F90 | L82-S86 PolarHBondContact O-N 2.89Å; L82-S86 VanDerWaalsContact O-N 3.08Å; G84-S86 PolarHBondContact O-N 2.88Å; S86-F90 WeakPolarHBondContact O-CB 3.17Å; S86-F90 WeakPolarHBondContact O-CD2 3.28Å; S86-F90 WeakPolarHBondContact O-CG 3.34Å |
| 87 | K | 31.9 | Very low | 32.5 | Very low | 161 Ų | 161 | 92.8 Ų | 92.8 | 70% | 0.7 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -85.4 | -42.2 | -176.5 | -69 | 179.1 | -178.6 | 172.5 | 0 | 112.7 | G84 I85 H91 | G84-K87 PolarHBondContact O-N 2.86Å; I85-K87 PolarHBondContact O-N 3.45Å; K87-H91 WeakPolarHBondContact O-CB 3.31Å; K87-H91 PolarHBondContact O-N 3.23Å; K87-H91 VanDerWaalsContact O-N 3.15Å |
| 88 | G | 33.4 | Very low | 32.8 | Very low | 47 Ų | 47 | 99.2 Ų | 99.2 | 49% | 0.485 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -70.6 | -41.5 | -179 | 0 | 0 | 0 | 0 | 0 | 113.3 | G84 H91 F92 | G84-G88 PolarHBondContact O-N 3.31Å; G84-G88 VanDerWaalsContact O-N 3.14Å; G88-H91 PolarHBondContact O-N 3.13Å; G88-F92 WeakPolarHBondContact O-CB 3.23Å; G88-F92 PolarHBondContact O-N 3.44Å |
| 89 | T | 36.5 | Very low | 32.8 | Very low | 63 Ų | 63 | 101 Ų | 101 | 39% | 0.387 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -72.9 | -39.2 | -176.5 | -41.4 | 0 | 0 | 0 | 0 | 111.5 | I85 F92 F93 | I85-T89 WeakPolarHBondContact O-CB 3.26Å; I85-T89 PolarHBondContact O-N 3.31Å; I85-T89 VanDerWaalsContact O-N 3.11Å; I85-T89 PolarHBondContact O-OG1 2.91Å; T89-F92 PolarHBondContact O-N 3.14Å; T89-F93 HydrophobicContact CG2-CD2 4.43Å; T89-F93 PolarHBondContact O-N 3.37Å |
| 90 | F | 31.4 | Very low | 33.3 | Very low | 138 Ų | 138 | 102 Ų | 102 | 61% | 0.605 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66.5 | -39.2 | 173.1 | -81.4 | -103.8 | 0 | 0 | 0 | 111.5 | S86 F92 F93 I94 | S86-F90 WeakPolarHBondContact O-CB 3.17Å; S86-F90 WeakPolarHBondContact O-CD2 3.28Å; S86-F90 WeakPolarHBondContact O-CG 3.34Å; F90-F92 VanDerWaalsContact C-N 3.32Å; F90-F92 PolarHBondContact O-N 3.28Å; F90-F93 PolarHBondContact O-N 3.43Å; F90-I94 WeakPolarHBondContact O-CB 3.47Å; F90-I94 WeakPolarHBondContact O-CD1 2.9Å; F90-I94 WeakPolarHBondContact O-CG1 3.33Å; F90-I94 PolarHBondContact O-N 3.23Å |
| 91 | H | 37.6 | Very low | 33.8 | Very low | 129 Ų | 129 | 104 Ų | 104 | 60% | 0.597 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.2 | -36.3 | 175.3 | -166 | -106.3 | 0 | 0 | 0 | 112.2 | K87 G88 S95 | K87-H91 WeakPolarHBondContact O-CB 3.31Å; K87-H91 PolarHBondContact O-N 3.23Å; K87-H91 VanDerWaalsContact O-N 3.15Å; G88-H91 PolarHBondContact O-N 3.13Å; H91-S95 WeakPolarHBondContact O-CB 3.47Å; H91-S95 PolarHBondContact O-N 3.25Å; H91-S95 PolarHBondContact O-OG 3.45Å |
| 92 | F | 36.5 | Very low | 34.2 | Very low | 100 Ų | 100 | 103.5 Ų | 103.5 | 44% | 0.439 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.5 | -44.1 | 174.7 | -169.4 | -105.6 | 0 | 0 | 0 | 112.3 | G88 T89 F90 S95 I96 | G88-F92 WeakPolarHBondContact O-CB 3.23Å; G88-F92 PolarHBondContact O-N 3.44Å; T89-F92 PolarHBondContact O-N 3.14Å; F90-F92 VanDerWaalsContact C-N 3.32Å; F90-F92 PolarHBondContact O-N 3.28Å; F92-S95 PolarHBondContact O-N 3.4Å; F92-I96 HydrophobicContact CD1-CD1 3.59Å; F92-I96 HydrophobicContact CD1-CG1 4.44Å; F92-I96 HydrophobicContact CE1-CD1 3.21Å; F92-I96 HydrophobicContact CE1-CG1 4.27Å; F92-I96 HydrophobicContact CE2-CD1 4.45Å; F92-I96 HydrophobicContact CG-CD1 4.37Å; F92-I96 HydrophobicContact CZ-CD1 3.7Å; F92-I96 HydrophobicContact CZ-CG1 4.45Å; F92-I96 WeakPolarHBondContact O-CG1 3.33Å; F92-I96 PolarHBondContact O-N 3.08Å |
| 93 | F | 34.3 | Very low | 34.7 | Very low | 133 Ų | 133 | 101.7 Ų | 101.7 | 58% | 0.583 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.8 | -42.8 | 174.9 | -106.5 | -88.9 | 0 | 0 | 0 | 112.6 | T89 F90 S95 I96 K97 | T89-F93 HydrophobicContact CG2-CD2 4.43Å; T89-F93 PolarHBondContact O-N 3.37Å; F90-F93 PolarHBondContact O-N 3.43Å; F93-S95 VanDerWaalsContact C-N 3.33Å; F93-I96 PolarHBondContact O-N 3.29Å; F93-K97 WeakPolarHBondContact O-CB 3.2Å; F93-K97 PolarHBondContact O-N 3.26Å |
| 94 | I | 35.8 | Very low | 35.3 | Very low | 81 Ų | 81 | 100.5 Ų | 100.5 | 42% | 0.415 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.4 | -40 | 175.1 | -68.5 | 165.2 | 0 | 0 | 0 | 109.9 | F90 K97 R98 | F90-I94 WeakPolarHBondContact O-CB 3.47Å; F90-I94 WeakPolarHBondContact O-CD1 2.9Å; F90-I94 WeakPolarHBondContact O-CG1 3.33Å; F90-I94 PolarHBondContact O-N 3.23Å; I94-K97 PolarHBondContact O-N 3.47Å; I94-R98 HydrophobicContact CG2-CG 4.29Å; I94-R98 VanDerWaalsContact O-CB 3.31Å; I94-R98 WeakPolarHBondContact O-CB 3.39Å; I94-R98 VanDerWaalsContact O-CG 3.28Å; I94-R98 WeakPolarHBondContact O-CG 3.43Å; I94-R98 PolarHBondContact O-N 2.59Å |
| 95 | S | 36.3 | Very low | 35.8 | Very low | 52 Ų | 52 | 103 Ų | 103 | 36% | 0.364 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.5 | -41.5 | 177.6 | -65.2 | 0 | 0 | 0 | 0 | 112.1 | H91 F92 F93 R98 Y99 | H91-S95 WeakPolarHBondContact O-CB 3.47Å; H91-S95 PolarHBondContact O-N 3.25Å; H91-S95 PolarHBondContact O-OG 3.45Å; F92-S95 PolarHBondContact O-N 3.4Å; F93-S95 VanDerWaalsContact C-N 3.33Å; S95-R98 PolarHBondContact O-N 3.11Å; S95-Y99 VanDerWaalsContact O-CB 3.23Å; S95-Y99 WeakPolarHBondContact O-CB 3.42Å; S95-Y99 PolarHBondContact O-N 3.31Å |
| 96 | I | 36.5 | Very low | 36.3 | Very low | 75 Ų | 75 | 101 Ų | 101 | 39% | 0.385 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.3 | -45.5 | 174.8 | -70.3 | 172.8 | 0 | 0 | 0 | 110.7 | F92 F93 R98 Y99 H100 | F92-I96 HydrophobicContact CD1-CD1 3.59Å; F92-I96 HydrophobicContact CD1-CG1 4.44Å; F92-I96 HydrophobicContact CE1-CD1 3.21Å; F92-I96 HydrophobicContact CE1-CG1 4.27Å; F92-I96 HydrophobicContact CE2-CD1 4.45Å; F92-I96 HydrophobicContact CG-CD1 4.37Å; F92-I96 HydrophobicContact CZ-CD1 3.7Å; F92-I96 HydrophobicContact CZ-CG1 4.45Å; F92-I96 WeakPolarHBondContact O-CG1 3.33Å; F92-I96 PolarHBondContact O-N 3.08Å; F93-I96 PolarHBondContact O-N 3.29Å; I96-R98 PolarHBondContact O-N 2.97Å; I96-Y99 PolarHBondContact O-N 3.21Å; I96-H100 WeakPolarHBondContact O-CB 3.46Å; I96-H100 PolarHBondContact O-CD2 3.11Å; I96-H100 PolarHBondContact O-N 3.21Å |
| 97 | K | 34.2 | Very low | 36.9 | Very low | 160 Ų | 160 | 101.1 Ų | 101.1 | 70% | 0.696 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.2 | -41.3 | 176.2 | -85.2 | -157.6 | 174.7 | -175.4 | 0 | 112.1 | F93 I94 H100 H101 | F93-K97 WeakPolarHBondContact O-CB 3.2Å; F93-K97 PolarHBondContact O-N 3.26Å; I94-K97 PolarHBondContact O-N 3.47Å; K97-H100 PolarHBondContact O-N 3.1Å; K97-H101 VanDerWaalsContact O-CB 3.25Å; K97-H101 WeakPolarHBondContact O-CB 3.42Å; K97-H101 PolarHBondContact O-N 3.06Å |
| 98 | R | 35.3 | Very low | 37.2 | Very low | 184 Ų | 184 | 102.2 Ų | 102.2 | 69% | 0.694 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.8 | -38.7 | 175.4 | -75.6 | -175 | -171.8 | -172.7 | 4.6 | 112 | I94 S95 I96 H101 S102 | I94-R98 HydrophobicContact CG2-CG 4.29Å; I94-R98 VanDerWaalsContact O-CB 3.31Å; I94-R98 WeakPolarHBondContact O-CB 3.39Å; I94-R98 VanDerWaalsContact O-CG 3.28Å; I94-R98 WeakPolarHBondContact O-CG 3.43Å; I94-R98 PolarHBondContact O-N 2.59Å; S95-R98 PolarHBondContact O-N 3.11Å; I96-R98 PolarHBondContact O-N 2.97Å; R98-H101 PolarHBondContact O-N 3.39Å; R98-S102 VanDerWaalsContact O-CB 3.22Å; R98-S102 WeakPolarHBondContact O-CB 3.13Å; R98-S102 PolarHBondContact O-N 3.18Å |
| 99 | Y | 34.9 | Very low | 37.7 | Very low | 150 Ų | 150 | 105.1 Ų | 105.1 | 59% | 0.588 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65 | -44.8 | 175.4 | -168 | -97.7 | 0 | 0 | 0 | 111.2 | S95 I96 N103 | S95-Y99 VanDerWaalsContact O-CB 3.23Å; S95-Y99 WeakPolarHBondContact O-CB 3.42Å; S95-Y99 PolarHBondContact O-N 3.31Å; I96-Y99 PolarHBondContact O-N 3.21Å; Y99-N103 VanDerWaalsContact O-CB 3.26Å; Y99-N103 WeakPolarHBondContact O-CB 3.38Å; Y99-N103 PolarHBondContact O-N 3.37Å |
| 100 | H | 37.8 | Very low | 38.3 | Very low | 127 Ų | 127 | 111 Ų | 111 | 59% | 0.588 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.2 | -40 | 174.5 | -91 | -90.8 | 0 | 0 | 0 | 112.9 | I96 K97 A104 | I96-H100 WeakPolarHBondContact O-CB 3.46Å; I96-H100 PolarHBondContact O-CD2 3.11Å; I96-H100 PolarHBondContact O-N 3.21Å; K97-H100 PolarHBondContact O-N 3.1Å; H100-A104 WeakPolarHBondContact O-CB 3.49Å; H100-A104 PolarHBondContact O-N 3.15Å |
| 101 | H | 38.1 | Very low | 38.8 | Very low | 118 Ų | 118 | 113.1 Ų | 113.1 | 55% | 0.546 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.3 | -44.2 | 178.2 | -170.6 | -97.4 | 0 | 0 | 0 | 111.7 | K97 R98 A104 Q105 | K97-H101 VanDerWaalsContact O-CB 3.25Å; K97-H101 WeakPolarHBondContact O-CB 3.42Å; K97-H101 PolarHBondContact O-N 3.06Å; R98-H101 PolarHBondContact O-N 3.39Å; H101-A104 PolarHBondContact O-N 2.92Å; H101-Q105 PolarHBondContact CE1-NE2 3.37Å; H101-Q105 VanDerWaalsContact CE1-NE2 3.31Å; H101-Q105 WeakPolarHBondContact O-CG 3.4Å; H101-Q105 PolarHBondContact O-N 3.24Å |
| 102 | S | 39.9 | Very low | 39.4 | Very low | 69 Ų | 69 | 110 Ų | 110 | 48% | 0.483 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.4 | -41.6 | 176.2 | -178.3 | 0 | 0 | 0 | 0 | 111.7 | R98 Q105 T106 | R98-S102 VanDerWaalsContact O-CB 3.22Å; R98-S102 WeakPolarHBondContact O-CB 3.13Å; R98-S102 PolarHBondContact O-N 3.18Å; S102-Q105 PolarHBondContact O-N 3.37Å; S102-T106 WeakPolarHBondContact O-CB 3.42Å; S102-T106 PolarHBondContact O-N 2.96Å; S102-T106 PolarHBondContact O-OG1 2.96Å |
| 103 | N | 38.6 | Very low | 40.2 | Very low | 76 Ų | 76 | 109.2 Ų | 109.2 | 41% | 0.406 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -72.8 | -33.7 | 179 | -142.3 | 18.2 | 0 | 0 | 0 | 112.2 | Y99 T106 T107 | Y99-N103 VanDerWaalsContact O-CB 3.26Å; Y99-N103 WeakPolarHBondContact O-CB 3.38Å; Y99-N103 PolarHBondContact O-N 3.37Å; N103-T106 PolarHBondContact O-N 3.45Å; N103-T107 WeakPolarHBondContact O-CG2 3.33Å; N103-T107 PolarHBondContact O-N 3.48Å; N103-T107 PolarHBondContact O-OG1 2.97Å; N103-T107 VanDerWaalsContact O-OG1 3.08Å |
| 104 | A | 39 | Very low | 41.1 | Very low | 43 Ų | 43 | 104.3 Ų | 104.3 | 36% | 0.355 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.3 | -34.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113 | H100 H101 T107 R108 | H100-A104 WeakPolarHBondContact O-CB 3.49Å; H100-A104 PolarHBondContact O-N 3.15Å; H101-A104 PolarHBondContact O-N 2.92Å; A104-T107 PolarHBondContact O-OG1 2.98Å; A104-T107 VanDerWaalsContact O-OG1 3.11Å; A104-R108 WeakPolarHBondContact O-CB 3.38Å; A104-R108 WeakPolarHBondContact O-CG 3.39Å; A104-R108 PolarHBondContact O-N 3.25Å; A104-R108 VanDerWaalsContact O-N 3.1Å |
| 105 | Q | 40.5 | Very low | 42.2 | Very low | 100 Ų | 100 | 107.3 Ų | 107.3 | 47% | 0.467 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69.9 | -39.6 | 171.6 | -76 | -179.4 | -35.9 | 0 | 0 | 111.5 | H101 S102 R108 N109 | H101-Q105 PolarHBondContact CE1-NE2 3.37Å; H101-Q105 VanDerWaalsContact CE1-NE2 3.31Å; H101-Q105 WeakPolarHBondContact O-CG 3.4Å; H101-Q105 PolarHBondContact O-N 3.24Å; S102-Q105 PolarHBondContact O-N 3.37Å; Q105-R108 PolarHBondContact O-N 3.12Å; Q105-N109 WeakPolarHBondContact O-CB 3.45Å; Q105-N109 PolarHBondContact O-N 3.09Å |
| 106 | T | 44.9 | Very low | 43.2 | Very low | 52 Ų | 52 | 109.6 Ų | 109.6 | 32% | 0.319 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.6 | -39.3 | 179.6 | -52.7 | 0 | 0 | 0 | 0 | 111.8 | S102 N103 R110 | S102-T106 WeakPolarHBondContact O-CB 3.42Å; S102-T106 PolarHBondContact O-N 2.96Å; S102-T106 PolarHBondContact O-OG1 2.96Å; N103-T106 PolarHBondContact O-N 3.45Å; T106-R110 WeakPolarHBondContact O-CG 3.48Å; T106-R110 PolarHBondContact O-N 3.32Å |
| 107 | T | 41.5 | Very low | 44.3 | Very low | 66 Ų | 66 | 111.9 Ų | 111.9 | 41% | 0.405 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -69.9 | -45.4 | 174.5 | 51.9 | 0 | 0 | 0 | 0 | 111.7 | N103 A104 N109 R110 Y111 | N103-T107 WeakPolarHBondContact O-CG2 3.33Å; N103-T107 PolarHBondContact O-N 3.48Å; N103-T107 PolarHBondContact O-OG1 2.97Å; N103-T107 VanDerWaalsContact O-OG1 3.08Å; A104-T107 PolarHBondContact O-OG1 2.98Å; A104-T107 VanDerWaalsContact O-OG1 3.11Å; T107-N109 VanDerWaalsContact C-N 3.34Å; T107-N109 PolarHBondContact O-N 3.15Å; T107-R110 PolarHBondContact O-N 2.86Å; T107-Y111 WeakPolarHBondContact O-CD2 3.18Å; T107-Y111 PolarHBondContact O-N 3.12Å |
| 108 | R | 39 | Very low | 45.6 | Very low | 184 Ų | 184 | 111.1 Ų | 111.1 | 69% | 0.694 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -59.1 | -40.8 | 175.3 | -81.4 | -171.4 | -161.8 | 161.2 | 5.4 | 113.4 | A104 Q105 Y111 S112 | A104-R108 WeakPolarHBondContact O-CB 3.38Å; A104-R108 WeakPolarHBondContact O-CG 3.39Å; A104-R108 PolarHBondContact O-N 3.25Å; A104-R108 VanDerWaalsContact O-N 3.1Å; Q105-R108 PolarHBondContact O-N 3.12Å; R108-Y111 PolarHBondContact O-N 3.42Å; R108-S112 WeakPolarHBondContact O-CB 3.36Å; R108-S112 PolarHBondContact O-N 3.25Å; R108-S112 PolarHBondContact O-OG 3.06Å |
| 109 | N | 44.2 | Very low | 46.8 | Very low | 107 Ų | 107 | 106.7 Ų | 106.7 | 57% | 0.572 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.6 | -39.4 | 178.2 | -78.5 | -2.4 | 0 | 0 | 0 | 111.5 | Q105 T107 S112 V113 | Q105-N109 WeakPolarHBondContact O-CB 3.45Å; Q105-N109 PolarHBondContact O-N 3.09Å; T107-N109 VanDerWaalsContact C-N 3.34Å; T107-N109 PolarHBondContact O-N 3.15Å; N109-S112 PolarHBondContact O-N 3.37Å; N109-V113 VanDerWaalsContact O-CG2 3.28Å; N109-V113 WeakPolarHBondContact O-CG2 3.42Å; N109-V113 PolarHBondContact O-N 3.47Å |
| 110 | R | 47.8 | Very low | 48.2 | Very low | 188 Ų | 188 | 105.9 Ų | 105.9 | 71% | 0.709 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.4 | -39.3 | 174.7 | -72.5 | -176.2 | -165.1 | 173.6 | 5.4 | 113 | T106 T107 S112 G114 | T106-R110 WeakPolarHBondContact O-CG 3.48Å; T106-R110 PolarHBondContact O-N 3.32Å; T107-R110 PolarHBondContact O-N 2.86Å; R110-S112 VanDerWaalsContact C-N 3.34Å; R110-G114 PolarHBondContact O-N 3.49Å; R110-G114 VanDerWaalsContact O-N 3.13Å |
| 111 | Y | 43.3 | Very low | 49.3 | Very low | 181 Ų | 181 | 106.4 Ų | 106.4 | 71% | 0.71 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -68.7 | -32 | 175.5 | -81.7 | -73.6 | 0 | 0 | 0 | 113 | T107 R108 K115 | T107-Y111 WeakPolarHBondContact O-CD2 3.18Å; T107-Y111 PolarHBondContact O-N 3.12Å; R108-Y111 PolarHBondContact O-N 3.42Å; Y111-K115 PolarHBondContact O-N 2.94Å |
| 112 | S | 49.5 | Very low | 50.8 | Low | 65 Ų | 65 | 105.4 Ų | 105.4 | 46% | 0.455 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -77.9 | -39.6 | 179.7 | -54.7 | 0 | 0 | 0 | 0 | 112.1 | R108 N109 R110 K115 N116 | R108-S112 WeakPolarHBondContact O-CB 3.36Å; R108-S112 PolarHBondContact O-N 3.25Å; R108-S112 PolarHBondContact O-OG 3.06Å; N109-S112 PolarHBondContact O-N 3.37Å; R110-S112 VanDerWaalsContact C-N 3.34Å; S112-K115 PolarHBondContact O-N 2.9Å; S112-N116 PolarHBondContact O-N 3.36Å; S112-N116 VanDerWaalsContact O-N 3.11Å |
| 113 | V | 53.1 | Low | 52.2 | Low | 82 Ų | 82 | 107.7 Ų | 107.7 | 50% | 0.497 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.4 | -45.1 | 174.1 | 174.4 | 0 | 0 | 0 | 0 | 110.7 | N109 K115 N116 E117 | N109-V113 VanDerWaalsContact O-CG2 3.28Å; N109-V113 WeakPolarHBondContact O-CG2 3.42Å; N109-V113 PolarHBondContact O-N 3.47Å; V113-K115 VanDerWaalsContact C-N 3.33Å; V113-K115 PolarHBondContact O-N 3.05Å; V113-N116 PolarHBondContact O-N 3.5Å; V113-E117 HydrophobicContact CG1-CG 4.39Å; V113-E117 WeakPolarHBondContact O-CG 3.11Å; V113-E117 PolarHBondContact O-N 2.65Å |
| 114 | G | 53.9 | Low | 53.5 | Low | 31 Ų | 31 | 106 Ų | 106 | 32% | 0.32 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.7 | -33.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | R110 Q118 | R110-G114 PolarHBondContact O-N 3.49Å; R110-G114 VanDerWaalsContact O-N 3.13Å; G114-Q118 WeakPolarHBondContact O-CG 3.12Å; G114-Q118 PolarHBondContact O-N 2.97Å; G114-Q118 VanDerWaalsContact O-N 3.13Å |
| 115 | K | 58.1 | Low | 55 | Low | 144 Ų | 144 | 112.3 Ų | 112.3 | 63% | 0.626 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -71.7 | -38.8 | 173.6 | -83.8 | -174.4 | 175.2 | -175.3 | 0 | 112.7 | Y111 S112 V113 Q118 L119 | Y111-K115 PolarHBondContact O-N 2.94Å; S112-K115 PolarHBondContact O-N 2.9Å; V113-K115 VanDerWaalsContact C-N 3.33Å; V113-K115 PolarHBondContact O-N 3.05Å; K115-Q118 PolarHBondContact O-N 2.92Å; K115-L119 WeakPolarHBondContact O-CB 3.23Å; K115-L119 WeakPolarHBondContact O-CG 3.14Å; K115-L119 PolarHBondContact O-N 3.32Å |
| 116 | N | 58.1 | Low | 56.5 | Low | 99 Ų | 99 | 116.7 Ų | 116.7 | 53% | 0.529 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -69.3 | -37.2 | 177 | -78.1 | -11.7 | 0 | 0 | 0 | 112 | S112 V113 L119 H120 | S112-N116 PolarHBondContact O-N 3.36Å; S112-N116 VanDerWaalsContact O-N 3.11Å; V113-N116 PolarHBondContact O-N 3.5Å; N116-L119 PolarHBondContact O-N 3.27Å; N116-H120 WeakPolarHBondContact O-CB 3.22Å; N116-H120 PolarHBondContact O-N 3.32Å |
| 117 | E | 59.3 | Low | 57.8 | Low | 123 Ų | 123 | 120.3 Ų | 120.3 | 58% | 0.575 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -65.8 | -39.8 | 173.7 | -71.8 | -177.1 | 143.2 | 0 | 0 | 111.9 | V113 H120 M121 | V113-E117 HydrophobicContact CG1-CG 4.39Å; V113-E117 WeakPolarHBondContact O-CG 3.11Å; V113-E117 PolarHBondContact O-N 2.65Å; E117-H120 PolarHBondContact O-N 3.12Å; E117-M121 WeakPolarHBondContact O-CB 3.41Å; E117-M121 WeakPolarHBondContact O-CG 3.41Å; E117-M121 PolarHBondContact O-N 3.42Å |
| 118 | Q | 60.4 | Low | 58.8 | Low | 144 Ų | 144 | 123.5 Ų | 123.5 | 67% | 0.673 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -65.8 | -42.4 | 173.8 | -79.1 | -164.6 | -23.5 | 0 | 0 | 112.7 | G114 K115 M121 E122 | G114-Q118 WeakPolarHBondContact O-CG 3.12Å; G114-Q118 PolarHBondContact O-N 2.97Å; G114-Q118 VanDerWaalsContact O-N 3.13Å; K115-Q118 PolarHBondContact O-N 2.92Å; Q118-M121 PolarHBondContact O-N 3.47Å; Q118-E122 WeakPolarHBondContact O-CB 3.12Å; Q118-E122 PolarHBondContact O-N 3.44Å |
| 119 | L | 61.2 | Low | 60 | Low | 92 Ų | 92 | 118.2 Ų | 118.2 | 48% | 0.482 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -64.2 | -41.1 | 176.2 | -80.5 | 161.6 | 0 | 0 | 0 | 112 | K115 N116 E122 Q123 | K115-L119 WeakPolarHBondContact O-CB 3.23Å; K115-L119 WeakPolarHBondContact O-CG 3.14Å; K115-L119 PolarHBondContact O-N 3.32Å; N116-L119 PolarHBondContact O-N 3.27Å; L119-E122 PolarHBondContact O-N 3.02Å; L119-Q123 WeakPolarHBondContact O-CB 3.28Å; L119-Q123 WeakPolarHBondContact O-CG 3.46Å; L119-Q123 PolarHBondContact O-N 3.12Å |
| 120 | H | 63.6 | Low | 60.3 | Low | 132 Ų | 132 | 120.9 Ų | 120.9 | 61% | 0.611 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -66.5 | -38.7 | 175.2 | -81.1 | -161 | 0 | 0 | 0 | 112.2 | N116 E117 A124 | N116-H120 WeakPolarHBondContact O-CB 3.22Å; N116-H120 PolarHBondContact O-N 3.32Å; E117-H120 PolarHBondContact O-N 3.12Å; H120-A124 VanDerWaalsContact O-CB 3.23Å; H120-A124 WeakPolarHBondContact O-CB 3.25Å; H120-A124 PolarHBondContact O-N 3.37Å |
| 121 | M | 61.5 | Low | 61 | Low | 138 Ų | 138 | 117.6 Ų | 117.6 | 68% | 0.68 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -68.7 | -37.4 | 175.2 | -72.6 | -73.8 | -175.2 | 0 | 0 | 112.2 | E117 Q118 A124 R125 | E117-M121 WeakPolarHBondContact O-CB 3.41Å; E117-M121 WeakPolarHBondContact O-CG 3.41Å; E117-M121 PolarHBondContact O-N 3.42Å; Q118-M121 PolarHBondContact O-N 3.47Å; M121-A124 PolarHBondContact O-N 3.38Å; M121-R125 PolarHBondContact O-N 3.19Å |
| 122 | E | 69.5 | Low | 61.9 | Low | 97 Ų | 97 | 114.2 Ų | 114.2 | 45% | 0.453 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -71.3 | -39 | 176.9 | -158 | -172.7 | 145.3 | 0 | 0 | 111.6 | Q118 L119 R125 R126 | Q118-E122 WeakPolarHBondContact O-CB 3.12Å; Q118-E122 PolarHBondContact O-N 3.44Å; L119-E122 PolarHBondContact O-N 3.02Å; E122-R125 PolarHBondContact O-N 3.47Å; E122-R126 WeakPolarHBondContact O-CG 3.31Å; E122-R126 PolarHBondContact O-N 2.88Å; E122-R126 IonicContact OE1-CZ 3.79Å; E122-R126 IonicContact OE1-NE 3.86Å; E122-R126 IonicContact OE1-NH2 2.86Å; E122-R126 PolarHBondContact OE1-NH2 3.31Å |
| 123 | Q | 70.1 | Confident | 62.6 | Low | 117 Ų | 117 | 116.9 Ų | 116.9 | 55% | 0.547 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -63.9 | -42.6 | 170.1 | -77.4 | 179.5 | -20 | 0 | 0 | 111.6 | L119 R125 R126 V127 | L119-Q123 WeakPolarHBondContact O-CB 3.28Å; L119-Q123 WeakPolarHBondContact O-CG 3.46Å; L119-Q123 PolarHBondContact O-N 3.12Å; Q123-R125 VanDerWaalsContact C-N 3.34Å; Q123-R125 PolarHBondContact O-N 2.96Å; Q123-R126 PolarHBondContact O-N 3.24Å; Q123-V127 WeakPolarHBondContact O-CG2 3.35Å; Q123-V127 PolarHBondContact O-N 2.98Å |
| 124 | A | 65.2 | Low | 63.1 | Low | 42 Ų | 42 | 119 Ų | 119 | 35% | 0.347 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -61.9 | -39.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | H120 M121 V127 L128 | H120-A124 VanDerWaalsContact O-CB 3.23Å; H120-A124 WeakPolarHBondContact O-CB 3.25Å; H120-A124 PolarHBondContact O-N 3.37Å; M121-A124 PolarHBondContact O-N 3.38Å; A124-V127 PolarHBondContact O-N 3.17Å; A124-L128 VanDerWaalsContact O-CB 3.31Å; A124-L128 WeakPolarHBondContact O-CB 2.79Å; A124-L128 WeakPolarHBondContact O-CG 3.39Å; A124-L128 PolarHBondContact O-N 3.04Å |
| 125 | R | 69.9 | Low | 63.7 | Low | 175 Ų | 175 | 124.5 Ų | 124.5 | 66% | 0.66 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -63.6 | -44 | 173.4 | -80.8 | -172.4 | 179.2 | -174.7 | -2.1 | 112.8 | M121 E122 Q123 V127 L128 G129 | M121-R125 PolarHBondContact O-N 3.19Å; E122-R125 PolarHBondContact O-N 3.47Å; Q123-R125 VanDerWaalsContact C-N 3.34Å; Q123-R125 PolarHBondContact O-N 2.96Å; R125-V127 VanDerWaalsContact C-N 3.28Å; R125-V127 PolarHBondContact O-N 2.86Å; R125-L128 PolarHBondContact O-N 3.08Å; R125-G129 PolarHBondContact O-N 3.14Å |
| 126 | R | 71.6 | Confident | 64.1 | Low | 192 Ų | 192 | 123.2 Ų | 123.2 | 73% | 0.725 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -63.3 | -33.8 | 176.8 | -70.4 | -172.1 | -157.2 | -168 | 6.8 | 112.9 | E122 Q123 | E122-R126 WeakPolarHBondContact O-CG 3.31Å; E122-R126 PolarHBondContact O-N 2.88Å; E122-R126 IonicContact OE1-CZ 3.79Å; E122-R126 IonicContact OE1-NE 3.86Å; E122-R126 IonicContact OE1-NH2 2.86Å; E122-R126 PolarHBondContact OE1-NH2 3.31Å; Q123-R126 PolarHBondContact O-N 3.24Å |
| 127 | V | 72.2 | Confident | 64.5 | Low | 127 Ų | 127 | 124.9 Ų | 124.9 | 77% | 0.77 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -76.8 | -35.6 | 176.8 | 174.4 | 0 | 0 | 0 | 0 | 111.9 | Q123 A124 R125 | Q123-V127 WeakPolarHBondContact O-CG2 3.35Å; Q123-V127 PolarHBondContact O-N 2.98Å; A124-V127 PolarHBondContact O-N 3.17Å; R125-V127 VanDerWaalsContact C-N 3.28Å; R125-V127 PolarHBondContact O-N 2.86Å |
| 128 | L | 64.1 | Low | 64.9 | Low | 134 Ų | 134 | 125.1 Ų | 125.1 | 70% | 0.702 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -85.6 | -8.7 | -178.6 | -71.1 | 167.6 | 0 | 0 | 0 | 114.3 | A124 R125 V130 | A124-L128 VanDerWaalsContact O-CB 3.31Å; A124-L128 WeakPolarHBondContact O-CB 2.79Å; A124-L128 WeakPolarHBondContact O-CG 3.39Å; A124-L128 PolarHBondContact O-N 3.04Å; R125-L128 PolarHBondContact O-N 3.08Å; L128-V130 VanDerWaalsContact C-N 3.35Å; L128-V130 PolarHBondContact O-N 3.17Å |
| 129 | G | 62.9 | Low | 65.3 | Low | 73 Ų | 73 | 123.5 Ų | 123.5 | 75% | 0.753 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68 | 28.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115 | R125 | R125-G129 PolarHBondContact O-N 3.14Š|
| 130 | V | 51.7 | Low | 65.7 | Low | 163 Ų | 163 | 126.4 Ų | 126.4 | 99% | 0.988 | 66% | 0.658 | S | S | * | * | trans | -115 | 0 | 175.7 | -170.3 | 0 | 0 | 0 | 0 | 110 | L128 | L128-V130 VanDerWaalsContact C-N 3.35Å; L128-V130 PolarHBondContact O-N 3.17Å |
Retrieved 130 of 130 residues in 28.2 ms
(Link to these results)