| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 46.4 | Very low | 83 | Confident | 239 Ų | 239 | 112.3 Ų | 112.3 | 100% | 1.177 | 53% | 0.529 | S | S | * | . | 0 | 121.5 | 0 | -80.3 | 169.3 | 171.5 | 0 | 0 | 106.9 | E3 | M1-E3 PolarHBondContact O-N 3.28Š| |||
| 2 | N | 66.8 | Low | 83.6 | Confident | 132 Ų | 132 | 107.4 Ų | 107.4 | 71% | 0.706 | 51% | 0.505 | S | S | * | . | trans | -71.6 | 114.8 | 172.5 | -71.8 | -12 | 0 | 0 | 0 | 107.3 | C4 C171 | N2-C4 PolarHBondContact O-N 3.23Å; N2-C171 HydrophobicContact CB-CB 4.47Å | ||
| 3 | E | 84.4 | Confident | 84 | Confident | 123 Ų | 123 | 99.2 Ų | 99.2 | 58% | 0.575 | 47% | 0.466 | S | S | * | . | trans | -68.4 | 126.5 | 174.1 | -165.6 | -174.7 | -175.8 | 0 | 0 | 108.5 | M1 Y5 | M1-E3 PolarHBondContact O-N 3.28Å; E3-Y5 HydrophobicContact CG-CE1 4.03Å; E3-Y5 PolarHBondContact OE2-OH 2.84Å | ||
| 4 | C | 87.9 | Confident | 84.1 | Confident | 55 Ų | 55 | 94.4 Ų | 94.4 | 37% | 0.372 | 44% | 0.441 | S | S | . | . | trans | -105.9 | 130 | -179.8 | -59.2 | 0 | 0 | 0 | 0 | 110.5 | N2 Y6 C171 | N2-C4 PolarHBondContact O-N 3.23Å; C4-Y6 HydrophobicContact CB-CD2 3.73Å; C4-Y6 HydrophobicContact CB-CE2 3.55Å; C4-Y6 PolarHBondContact O-N 3.47Å; C4-C171 HydrophobicContact CB-CB 4.11Å; C4-C171 WeakPolarHBondContact CB-SG 3.3Å; C4-C171 WeakPolarHBondContact SG-CB 3.18Å; C4-C171 CovalentContact SG-SG 2.04Å; C4-C171 PolarHBondContact SG-SG 3.45Å | ||
| 5 | Y | 90 | Very high | 84.3 | Confident | 50 Ų | 50 | 96.4 Ų | 96.4 | 20% | 0.196 | 46% | 0.457 | C | S | . | . | trans | -97.6 | 48 | -168.7 | -60.7 | -73.6 | 0 | 0 | 0 | 114.5 | E3 D7 R8 F12 F13 L170 | E3-Y5 HydrophobicContact CG-CE1 4.03Å; E3-Y5 PolarHBondContact OE2-OH 2.84Å; Y5-D7 PolarHBondContact O-N 3.44Å; Y5-R8 HydrophobicContact CD1-CG 4.01Å; Y5-R8 HydrophobicContact CG-CG 4.37Å; Y5-R8 PolarHBondContact O-N 2.99Å; Y5-F12 HydrophobicContact CD1-CE1 4.25Å; Y5-F12 HydrophobicContact CD1-CZ 4.25Å; Y5-F12 HydrophobicContact CD2-CE1 4.25Å; Y5-F12 HydrophobicContact CE1-CZ 4.36Å; Y5-F12 AromaticContact CG-CE1 3.99Å; Y5-F12 HydrophobicContact CG-CE1 3.99Å; Y5-F12 HydrophobicContact CG-CZ 4.38Å; Y5-F13 WeakPolarHBondContact O-CZ 3.29Å; Y5-L170 WeakPolarHBondContact CD2-O 3.27Å; Y5-L170 PolarHBondContact N-O 3.23Å; Y5-L170 VanDerWaalsContact N-O 3.1Å | ||
| 6 | Y | 86.9 | Confident | 84.2 | Confident | 118 Ų | 118 | 98.9 Ų | 98.9 | 46% | 0.463 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -34.6 | -177.4 | -71 | -84 | 0 | 0 | 0 | 114.1 | C4 R8 L170 | C4-Y6 HydrophobicContact CB-CD2 3.73Å; C4-Y6 HydrophobicContact CB-CE2 3.55Å; C4-Y6 PolarHBondContact O-N 3.47Å; Y6-R8 VanDerWaalsContact C-N 3.31Å; Y6-R8 PolarHBondContact O-N 3.26Å; Y6-L170 HydrophobicContact CD1-CD1 3.57Å; Y6-L170 HydrophobicContact CE1-CD1 3.31Å; Y6-L170 HydrophobicContact CG-CD1 4.38Å |
| 7 | D | 90 | Very high | 83.8 | Confident | 167 Ų | 167 | 94.3 Ų | 94.3 | 89% | 0.893 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -3.1 | -176.3 | -58.9 | -48.5 | 0 | 0 | 0 | 113.6 | Y5 | Y5-D7 PolarHBondContact O-N 3.44Š|
| 8 | R | 91.4 | Very high | 82.9 | Confident | 133 Ų | 133 | 91.4 Ų | 91.4 | 50% | 0.502 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -78 | 146.5 | 178.1 | -64.1 | -62.1 | -173.4 | 177.9 | -1.2 | 110.7 | Y5 Y6 F12 F13 V99 | Y5-R8 HydrophobicContact CD1-CG 4.01Å; Y5-R8 HydrophobicContact CG-CG 4.37Å; Y5-R8 PolarHBondContact O-N 2.99Å; Y6-R8 VanDerWaalsContact C-N 3.31Å; Y6-R8 PolarHBondContact O-N 3.26Å; R8-F12 HydrophobicContact CB-CB 4.2Å; R8-F12 HydrophobicContact CB-CD1 4.09Å; R8-F12 HydrophobicContact CB-CG 4.25Å; R8-F12 HydrophobicContact CG-CD1 4.21Å; R8-F12 HydrophobicContact CG-CG 4.34Å; R8-F13 HydrophobicContact CB-CE2 4.02Å; R8-F13 HydrophobicContact CB-CZ 4.43Å; R8-V99 WeakPolarHBondContact O-CG2 3.34Å |
| 9 | R | 91.1 | Very high | 81.2 | Confident | 147 Ų | 147 | 92.4 Ų | 92.4 | 56% | 0.555 | 45% | 0.446 | S | S | * | . | B | Isolated β-bridge | trans | -77.9 | 165.4 | 171.3 | -73.1 | -157.7 | -65.2 | -145.1 | -0.8 | 111.2 | D11 F12 F13 | R9-D11 VanDerWaalsContact C-N 3.26Å; R9-D11 VanDerWaalsContact C-OD1 3.24Å; R9-D11 WeakPolarHBondContact CB-OD1 3.46Å; R9-D11 PolarHBondContact O-N 3.09Å; R9-F12 WeakPolarHBondContact O-CB 3.26Å; R9-F12 PolarHBondContact O-N 2.97Å; R9-F13 WeakPolarHBondContact O-CD2 3.43Å |
| 10 | M | 90.1 | Very high | 79.5 | Confident | 0 Ų | 0 | 95.2 Ų | 95.2 | 0% | 0 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -63.2 | -29.4 | -176.9 | -87.7 | -68.8 | 160.7 | 0 | 0 | 114.5 | F12 F13 Y14 S94 L97 V99 W102 I182 | M10-F12 VanDerWaalsContact C-N 3.25Å; M10-F12 PolarHBondContact O-N 3.11Å; M10-F13 PolarHBondContact O-N 3.42Å; M10-F13 VanDerWaalsContact O-N 3.15Å; M10-F13 HydrophobicContact SD-CD2 4.36Å; M10-Y14 HydrophobicContact CB-CD2 4.04Å; M10-Y14 HydrophobicContact CB-CE2 3.99Å; M10-Y14 HydrophobicContact CG-CE2 4.48Å; M10-Y14 WeakPolarHBondContact O-CD2 3.37Å; M10-Y14 PolarHBondContact O-N 2.97Å; M10-Y14 HydrophobicContact SD-CE2 4.15Å; M10-S94 WeakPolarHBondContact CB-O 3.45Å; M10-L97 HydrophobicContact CB-CB 4.4Å; M10-L97 WeakPolarHBondContact CB-O 3.41Å; M10-L97 HydrophobicContact CG-CB 4.03Å; M10-L97 WeakPolarHBondContact CG-O 3.24Å; M10-L97 PolarHBondContact N-O 3.43Å; M10-L97 VanDerWaalsContact N-O 3.13Å; M10-V99 HydrophobicContact CE-CG2 4.49Å; M10-W102 HydrophobicContact CE-CB 3.25Å; M10-W102 HydrophobicContact CE-CD2 3.76Å; M10-W102 HydrophobicContact CE-CE3 4.44Å; M10-W102 HydrophobicContact CE-CG 3.23Å; M10-W102 HydrophobicContact CG-CB 4.17Å; M10-W102 HydrophobicContact CG-CG 4.18Å; M10-W102 HydrophobicContact SD-CB 4.17Å; M10-W102 HydrophobicContact SD-CD2 4.35Å; M10-W102 HydrophobicContact SD-CG 3.75Å; M10-I182 HydrophobicContact CE-CB 4.26Å; M10-I182 HydrophobicContact CE-CD1 3.66Å; M10-I182 HydrophobicContact CE-CG1 3.94Å; M10-I182 HydrophobicContact CE-CG2 3.36Å; M10-I182 HydrophobicContact SD-CG2 4.1Å |
| 11 | D | 87.6 | Confident | 78 | Confident | 71 Ų | 71 | 92.2 Ų | 92.2 | 38% | 0.38 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -50.3 | -42.1 | 172.7 | 59.2 | -15.1 | 0 | 0 | 0 | 113.5 | R9 Y14 N15 K95 | R9-D11 VanDerWaalsContact C-N 3.26Å; R9-D11 VanDerWaalsContact C-OD1 3.24Å; R9-D11 WeakPolarHBondContact CB-OD1 3.46Å; R9-D11 PolarHBondContact O-N 3.09Å; D11-Y14 PolarHBondContact O-N 3.39Å; D11-N15 WeakPolarHBondContact O-CB 3.45Å; D11-N15 PolarHBondContact O-N 3.46Å; D11-K95 HydrophobicContact CB-CB 4.25Å; D11-K95 PolarHBondContact N-O 3.45Å |
| 12 | F | 90.4 | Very high | 78.1 | Confident | 54 Ų | 54 | 86.3 Ų | 86.3 | 24% | 0.237 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -58 | -49.8 | 176 | 172.5 | -99.3 | 0 | 0 | 0 | 112 | Y5 R8 R9 M10 N15 K16 I173 | Y5-F12 HydrophobicContact CD1-CE1 4.25Å; Y5-F12 HydrophobicContact CD1-CZ 4.25Å; Y5-F12 HydrophobicContact CD2-CE1 4.25Å; Y5-F12 HydrophobicContact CE1-CZ 4.36Å; Y5-F12 AromaticContact CG-CE1 3.99Å; Y5-F12 HydrophobicContact CG-CE1 3.99Å; Y5-F12 HydrophobicContact CG-CZ 4.38Å; R8-F12 HydrophobicContact CB-CB 4.2Å; R8-F12 HydrophobicContact CB-CD1 4.09Å; R8-F12 HydrophobicContact CB-CG 4.25Å; R8-F12 HydrophobicContact CG-CD1 4.21Å; R8-F12 HydrophobicContact CG-CG 4.34Å; R9-F12 WeakPolarHBondContact O-CB 3.26Å; R9-F12 PolarHBondContact O-N 2.97Å; M10-F12 VanDerWaalsContact C-N 3.25Å; M10-F12 PolarHBondContact O-N 3.11Å; F12-N15 PolarHBondContact O-N 3.5Å; F12-K16 HydrophobicContact CZ-CG 4.47Å; F12-K16 PolarHBondContact O-N 2.94Å; F12-I173 HydrophobicContact CE1-CD1 4.18Å |
| 13 | F | 89.3 | Confident | 77.5 | Confident | 0 Ų | 0 | 82.4 Ų | 82.4 | 0% | 0 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -67.7 | -45 | -179 | -62.6 | -81 | 0 | 0 | 0 | 111.3 | Y5 R8 R9 M10 N15 K16 T17 V99 L170 I173 P181 I182 | Y5-F13 WeakPolarHBondContact O-CZ 3.29Å; R8-F13 HydrophobicContact CB-CE2 4.02Å; R8-F13 HydrophobicContact CB-CZ 4.43Å; R9-F13 WeakPolarHBondContact O-CD2 3.43Å; M10-F13 PolarHBondContact O-N 3.42Å; M10-F13 VanDerWaalsContact O-N 3.15Å; M10-F13 HydrophobicContact SD-CD2 4.36Å; F13-N15 VanDerWaalsContact C-N 3.31Å; F13-N15 PolarHBondContact O-N 3.19Å; F13-K16 PolarHBondContact O-N 3.45Å; F13-T17 PolarHBondContact O-N 3.46Å; F13-T17 PolarHBondContact O-OG1 3.24Å; F13-V99 HydrophobicContact CE2-CG2 3.81Å; F13-V99 HydrophobicContact CZ-CG2 4.36Å; F13-L170 HydrophobicContact CE1-CD2 3.64Å; F13-L170 HydrophobicContact CE2-CD2 4.3Å; F13-L170 HydrophobicContact CZ-CD2 3.43Å; F13-L170 VanDerWaalsContact CZ-CD2 3.43Å; F13-I173 HydrophobicContact CD1-CD1 3.73Å; F13-I173 HydrophobicContact CE1-CD1 3.99Å; F13-P181 HydrophobicContact CB-CB 3.73Å; F13-I182 HydrophobicContact CB-CG2 4.25Å; F13-I182 HydrophobicContact CD1-CG2 3.86Å; F13-I182 HydrophobicContact CD2-CG2 3.97Å; F13-I182 HydrophobicContact CE1-CG2 4.18Å; F13-I182 HydrophobicContact CE2-CG2 4.27Å; F13-I182 HydrophobicContact CG-CG2 3.75Å; F13-I182 HydrophobicContact CZ-CG2 4.37Å |
| 14 | Y | 85.8 | Confident | 76.1 | Confident | 32 Ų | 32 | 82.9 Ų | 82.9 | 13% | 0.125 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -60.2 | -38.5 | 177.1 | -81.6 | -68.1 | 0 | 0 | 0 | 112.7 | M10 D11 N18 S94 K95 W102 P181 | M10-Y14 HydrophobicContact CB-CD2 4.04Å; M10-Y14 HydrophobicContact CB-CE2 3.99Å; M10-Y14 HydrophobicContact CG-CE2 4.48Å; M10-Y14 WeakPolarHBondContact O-CD2 3.37Å; M10-Y14 PolarHBondContact O-N 2.97Å; M10-Y14 HydrophobicContact SD-CE2 4.15Å; D11-Y14 PolarHBondContact O-N 3.39Å; Y14-N18 WeakPolarHBondContact O-CB 3.46Å; Y14-N18 PolarHBondContact O-N 3.44Å; Y14-S94 PolarHBondContact OH-OG 2.86Å; Y14-S94 VanDerWaalsContact OH-OG 3.11Å; Y14-K95 HydrophobicContact CD2-CG 4.32Å; Y14-W102 AromaticContact CZ-NE1 3.87Å; Y14-W102 PolarHBondContact OH-NE1 3.33Å; Y14-P181 HydrophobicContact CD1-CG 3.58Å; Y14-P181 HydrophobicContact CE1-CG 3.51Å; Y14-P181 HydrophobicContact CG-CG 4.18Å |
| 15 | N | 86.1 | Confident | 74.9 | Confident | 125 Ų | 125 | 83.4 Ų | 83.4 | 67% | 0.668 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -68.9 | -35.4 | 178.2 | -167.4 | 9.7 | 0 | 0 | 0 | 112 | D11 F12 F13 | D11-N15 WeakPolarHBondContact O-CB 3.45Å; D11-N15 PolarHBondContact O-N 3.46Å; F12-N15 PolarHBondContact O-N 3.5Å; F13-N15 VanDerWaalsContact C-N 3.31Å; F13-N15 PolarHBondContact O-N 3.19Å |
| 16 | K | 83.4 | Confident | 73.8 | Confident | 137 Ų | 137 | 83.4 Ų | 83.4 | 60% | 0.596 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -75.3 | -33 | 179.9 | -78.5 | -71.3 | -171.7 | 179.3 | 0 | 114 | F12 F13 I173 | F12-K16 HydrophobicContact CZ-CG 4.47Å; F12-K16 PolarHBondContact O-N 2.94Å; F13-K16 PolarHBondContact O-N 3.45Å; K16-I173 HydrophobicContact CB-CG1 4.39Å |
| 17 | T | 77.3 | Confident | 73.2 | Confident | 20 Ų | 20 | 79.9 Ų | 79.9 | 12% | 0.123 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -101.9 | -15.5 | -175.1 | 60 | 0 | 0 | 0 | 0 | 114.3 | F13 C176 P181 | F13-T17 PolarHBondContact O-N 3.46Å; F13-T17 PolarHBondContact O-OG1 3.24Å; T17-C176 HydrophobicContact CG2-CB 3.74Å; T17-P181 HydrophobicContact CG2-CB 4.32Å; T17-P181 WeakPolarHBondContact OG1-CB 3.36Å |
| 18 | N | 66.8 | Low | 72.7 | Confident | 42 Ų | 42 | 76.2 Ų | 76.2 | 23% | 0.225 | 39% | 0.393 | C | S | . | . | trans | -126.2 | 58.6 | -169.1 | -150.2 | 11.9 | 0 | 0 | 0 | 112.3 | Y14 D20 | Y14-N18 WeakPolarHBondContact O-CB 3.46Å; Y14-N18 PolarHBondContact O-N 3.44Å; N18-D20 VanDerWaalsContact C-N 3.3Å; N18-D20 PolarHBondContact O-N 3.42Å | ||
| 19 | T | 51.5 | Low | 72 | Confident | 111 Ų | 111 | 75.2 Ų | 75.2 | 68% | 0.681 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -66.3 | -21.4 | -176.2 | 24.9 | 0 | 0 | 0 | 0 | 115 | ||
| 20 | D | 47.5 | Very low | 71.4 | Confident | 148 Ų | 148 | 69.8 Ų | 69.8 | 79% | 0.791 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -120.1 | 0 | -164.5 | -68.6 | -43.9 | 0 | 0 | 0 | 117.4 | N18 | N18-D20 VanDerWaalsContact C-N 3.3Å; N18-D20 PolarHBondContact O-N 3.42Å |
| 21 | T | 47.3 | Very low | 71.1 | Confident | 33 Ų | 33 | 74.8 Ų | 74.8 | 20% | 0.202 | 40% | 0.4 | C | S | . | . | trans | -142.3 | 103.4 | 170.2 | 52.3 | 0 | 0 | 0 | 0 | 110.4 | D23 | T21-D23 PolarHBondContact O-N 3.15Š| ||
| 22 | V | 48.6 | Very low | 70.9 | Confident | 114 Ų | 114 | 76.1 Ų | 76.1 | 69% | 0.691 | 41% | 0.41 | S | S | * | . | trans | -60.5 | 90.9 | 150.7 | -171.5 | 0 | 0 | 0 | 0 | 104.4 | E24 | V22-E24 HydrophobicContact CG1-CB 3.96Å; V22-E24 HydrophobicContact CG1-CG 3.78Å; V22-E24 PolarHBondContact O-N 3.37Å | ||
| 23 | D | 53.8 | Low | 70.5 | Confident | 51 Ų | 51 | 75.9 Ų | 75.9 | 27% | 0.273 | 41% | 0.413 | S | S | . | . | trans | -69.1 | 75.5 | 170.1 | -152.9 | 27.8 | 0 | 0 | 0 | 104.7 | T21 W25 R276 | T21-D23 PolarHBondContact O-N 3.15Å; D23-W25 PolarHBondContact O-N 3.12Å; D23-R276 IonicContact OD1-CZ 3.48Å; D23-R276 IonicContact OD1-NE 3.66Å; D23-R276 IonicContact OD1-NH2 3.73Å; D23-R276 PolarHBondContact OD1-NH2 3.38Å; D23-R276 IonicContact OD2-CZ 3.2Å; D23-R276 IonicContact OD2-NE 2.87Å; D23-R276 PolarHBondContact OD2-NE 3.17Å; D23-R276 IonicContact OD2-NH2 3.45Å; D23-R276 PolarHBondContact OD2-NH2 2.99Å | ||
| 24 | E | 56.3 | Low | 70.2 | Confident | 133 Ų | 133 | 78.4 Ų | 78.4 | 62% | 0.621 | 43% | 0.426 | S | S | * | . | trans | -70.5 | 101.5 | -167.1 | -141.9 | 173 | -143 | 0 | 0 | 105.1 | V22 T26 | V22-E24 HydrophobicContact CG1-CB 3.96Å; V22-E24 HydrophobicContact CG1-CG 3.78Å; V22-E24 PolarHBondContact O-N 3.37Å; E24-T26 PolarHBondContact O-N 3.46Å | ||
| 25 | W | 62.5 | Low | 70.2 | Confident | 66 Ų | 66 | 80.8 Ų | 80.8 | 25% | 0.25 | 45% | 0.447 | C | S | . | . | trans | -68.6 | 75.5 | 170.4 | -72.2 | 86.2 | 0 | 0 | 0 | 106.8 | D23 G27 L30 V33 T90 | D23-W25 PolarHBondContact O-N 3.12Å; W25-G27 PolarHBondContact O-N 3.25Å; W25-L30 HydrophobicContact CB-CB 4.41Å; W25-L30 HydrophobicContact CD2-CD1 4.09Å; W25-L30 HydrophobicContact CE3-CB 3.96Å; W25-L30 HydrophobicContact CE3-CD1 3.42Å; W25-L30 VanDerWaalsContact CE3-CD1 3.42Å; W25-L30 HydrophobicContact CE3-CG 4.29Å; W25-L30 HydrophobicContact CZ3-CD1 3.87Å; W25-V33 HydrophobicContact CH2-CG1 4.31Å; W25-V33 HydrophobicContact CZ3-CB 4.08Å; W25-V33 HydrophobicContact CZ3-CG1 4.11Å; W25-V33 HydrophobicContact CZ3-CG2 4.1Å; W25-T90 HydrophobicContact CH2-CG2 3.37Å; W25-T90 HydrophobicContact CZ2-CG2 3.27Å; W25-T90 HydrophobicContact CZ3-CG2 4.08Å | ||
| 26 | T | 66.8 | Low | 70.3 | Confident | 50 Ų | 50 | 79.6 Ų | 79.6 | 31% | 0.307 | 44% | 0.436 | S | S | . | . | trans | -56.5 | 138.5 | 170.8 | 61.3 | 0 | 0 | 0 | 0 | 107.3 | E24 P28 K29 L30 | E24-T26 PolarHBondContact O-N 3.46Å; T26-P28 VanDerWaalsContact C-CD 3.4Å; T26-P28 VanDerWaalsContact C-N 3.27Å; T26-P28 VanDerWaalsContact O-N 3.09Å; T26-K29 PolarHBondContact O-N 3.42Å; T26-K29 WeakPolarHBondContact OG1-CD 3.4Å; T26-K29 WeakPolarHBondContact OG1-CG 3.5Å; T26-L30 PolarHBondContact O-N 2.98Å; T26-L30 VanDerWaalsContact O-N 3.08Å | ||
| 27 | G | 74.3 | Confident | 70.5 | Confident | 43 Ų | 43 | 73.2 Ų | 73.2 | 44% | 0.443 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -37.8 | -51.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | W25 K29 L30 I31 | W25-G27 PolarHBondContact O-N 3.25Å; G27-K29 PolarHBondContact O-N 3.25Å; G27-L30 PolarHBondContact O-N 3.42Å; G27-I31 WeakPolarHBondContact O-CD1 3.45Å; G27-I31 VanDerWaalsContact O-CG1 3.23Å; G27-I31 WeakPolarHBondContact O-CG1 3.26Å; G27-I31 PolarHBondContact O-N 3.08Å |
| 28 | P | 78.6 | Confident | 70.9 | Confident | 90 Ų | 90 | 75.2 Ų | 75.2 | 58% | 0.584 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -64.8 | -39.9 | -179.7 | 22.5 | -33.4 | 0 | 0 | 0 | 114.2 | T26 L30 I31 V32 | T26-P28 VanDerWaalsContact C-CD 3.4Å; T26-P28 VanDerWaalsContact C-N 3.27Å; T26-P28 VanDerWaalsContact O-N 3.09Å; P28-L30 VanDerWaalsContact C-N 3.35Å; P28-L30 PolarHBondContact O-N 3.4Å; P28-I31 PolarHBondContact O-N 3.3Å; P28-V32 VanDerWaalsContact O-CG2 3.28Å; P28-V32 WeakPolarHBondContact O-CG2 3.26Å; P28-V32 PolarHBondContact O-N 3.44Å |
| 29 | K | 76.9 | Confident | 72 | Confident | 113 Ų | 113 | 79.4 Ų | 79.4 | 49% | 0.491 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65.9 | -39.8 | 178.4 | -70.4 | 178.3 | -175.5 | 172.6 | 0 | 111.3 | T26 G27 V33 | T26-K29 PolarHBondContact O-N 3.42Å; T26-K29 WeakPolarHBondContact OG1-CD 3.4Å; T26-K29 WeakPolarHBondContact OG1-CG 3.5Å; G27-K29 PolarHBondContact O-N 3.25Å; K29-V33 WeakPolarHBondContact O-CG2 3.27Å; K29-V33 PolarHBondContact O-N 3.38Å; K29-V33 VanDerWaalsContact O-N 3.14Å |
| 30 | L | 78.9 | Confident | 73.9 | Confident | 32 Ų | 32 | 75.6 Ų | 75.6 | 17% | 0.168 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -65 | -46.8 | 176.7 | -177.7 | 63.4 | 0 | 0 | 0 | 111.2 | W25 T26 G27 P28 V32 V33 L34 | W25-L30 HydrophobicContact CB-CB 4.41Å; W25-L30 HydrophobicContact CD2-CD1 4.09Å; W25-L30 HydrophobicContact CE3-CB 3.96Å; W25-L30 HydrophobicContact CE3-CD1 3.42Å; W25-L30 VanDerWaalsContact CE3-CD1 3.42Å; W25-L30 HydrophobicContact CE3-CG 4.29Å; W25-L30 HydrophobicContact CZ3-CD1 3.87Å; T26-L30 PolarHBondContact O-N 2.98Å; T26-L30 VanDerWaalsContact O-N 3.08Å; G27-L30 PolarHBondContact O-N 3.42Å; P28-L30 VanDerWaalsContact C-N 3.35Å; P28-L30 PolarHBondContact O-N 3.4Å; L30-V32 PolarHBondContact O-N 2.99Å; L30-V33 PolarHBondContact O-N 2.91Å; L30-L34 HydrophobicContact CD1-CD1 4.09Å; L30-L34 HydrophobicContact CD1-CG 4.21Å; L30-L34 HydrophobicContact CG-CD1 3.87Å; L30-L34 HydrophobicContact CG-CG 4.39Å; L30-L34 WeakPolarHBondContact O-CB 3.24Å; L30-L34 VanDerWaalsContact O-CG 3.27Å; L30-L34 WeakPolarHBondContact O-CG 3.47Å; L30-L34 PolarHBondContact O-N 3.33Å |
| 31 | I | 82.9 | Confident | 76 | Confident | 105 Ų | 105 | 68.7 Ų | 68.7 | 54% | 0.538 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.2 | -45.7 | 178.5 | -68.3 | 164.9 | 0 | 0 | 0 | 110.8 | G27 P28 V33 L34 C35 | G27-I31 WeakPolarHBondContact O-CD1 3.45Å; G27-I31 VanDerWaalsContact O-CG1 3.23Å; G27-I31 WeakPolarHBondContact O-CG1 3.26Å; G27-I31 PolarHBondContact O-N 3.08Å; P28-I31 PolarHBondContact O-N 3.3Å; I31-V33 PolarHBondContact O-N 2.95Å; I31-L34 PolarHBondContact O-N 3.29Å; I31-C35 WeakPolarHBondContact O-CB 3.35Å; I31-C35 PolarHBondContact O-N 2.82Å; I31-C35 PolarHBondContact O-SG 2.99Å; I31-C35 VanDerWaalsContact O-SG 3.34Å |
| 32 | V | 84.1 | Confident | 78.1 | Confident | 99 Ų | 99 | 72 Ų | 72 | 60% | 0.6 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -59.8 | -47.1 | 178.5 | 169.8 | 0 | 0 | 0 | 0 | 111.3 | P28 L30 L34 F36 | P28-V32 VanDerWaalsContact O-CG2 3.28Å; P28-V32 WeakPolarHBondContact O-CG2 3.26Å; P28-V32 PolarHBondContact O-N 3.44Å; L30-V32 PolarHBondContact O-N 2.99Å; V32-L34 PolarHBondContact O-N 3.44Å; V32-F36 WeakPolarHBondContact O-CB 3.34Å; V32-F36 PolarHBondContact O-N 3.22Å |
| 33 | V | 81.2 | Confident | 80.1 | Confident | 49 Ų | 49 | 70.2 Ų | 70.2 | 30% | 0.297 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.5 | -40.2 | 179.3 | 171.3 | 0 | 0 | 0 | 0 | 111.6 | W25 K29 L30 I31 G37 M87 | W25-V33 HydrophobicContact CH2-CG1 4.31Å; W25-V33 HydrophobicContact CZ3-CB 4.08Å; W25-V33 HydrophobicContact CZ3-CG1 4.11Å; W25-V33 HydrophobicContact CZ3-CG2 4.1Å; K29-V33 WeakPolarHBondContact O-CG2 3.27Å; K29-V33 PolarHBondContact O-N 3.38Å; K29-V33 VanDerWaalsContact O-N 3.14Å; L30-V33 PolarHBondContact O-N 2.91Å; I31-V33 PolarHBondContact O-N 2.95Å; V33-G37 WeakPolarHBondContact O-CA 3.34Å; V33-G37 PolarHBondContact O-N 3.32Å; V33-M87 HydrophobicContact CG1-CE 4.34Å; V33-M87 HydrophobicContact CG1-SD 3.94Å |
| 34 | L | 83.6 | Confident | 82 | Confident | 53 Ų | 53 | 67.8 Ų | 67.8 | 28% | 0.277 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67.6 | -46.7 | 178.2 | -72.4 | 174.1 | 0 | 0 | 0 | 111.9 | L30 I31 V32 T38 M87 | L30-L34 HydrophobicContact CD1-CD1 4.09Å; L30-L34 HydrophobicContact CD1-CG 4.21Å; L30-L34 HydrophobicContact CG-CD1 3.87Å; L30-L34 HydrophobicContact CG-CG 4.39Å; L30-L34 WeakPolarHBondContact O-CB 3.24Å; L30-L34 VanDerWaalsContact O-CG 3.27Å; L30-L34 WeakPolarHBondContact O-CG 3.47Å; L30-L34 PolarHBondContact O-N 3.33Å; I31-L34 PolarHBondContact O-N 3.29Å; V32-L34 PolarHBondContact O-N 3.44Å; L34-T38 WeakPolarHBondContact O-CB 3.47Å; L34-T38 PolarHBondContact O-N 3.09Å; L34-T38 PolarHBondContact O-OG1 2.72Å; L34-M87 HydrophobicContact CD2-CB 4.09Å; L34-M87 WeakPolarHBondContact CD2-O 3.23Å |
| 35 | C | 86.6 | Confident | 83.7 | Confident | 83 Ų | 83 | 63.7 Ų | 63.7 | 56% | 0.561 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -62.9 | -50 | 178.6 | -71.5 | 0 | 0 | 0 | 0 | 111.2 | I31 T38 F39 | I31-C35 WeakPolarHBondContact O-CB 3.35Å; I31-C35 PolarHBondContact O-N 2.82Å; I31-C35 PolarHBondContact O-SG 2.99Å; I31-C35 VanDerWaalsContact O-SG 3.34Å; C35-T38 PolarHBondContact O-N 3.01Å; C35-F39 PolarHBondContact O-N 2.87Å |
| 36 | F | 87.5 | Confident | 85.1 | Confident | 100 Ų | 100 | 65.5 Ų | 65.5 | 44% | 0.439 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.3 | -46.6 | 179.2 | -165.1 | -108.1 | 0 | 0 | 0 | 111.1 | V32 T38 F39 F40 L280 | V32-F36 WeakPolarHBondContact O-CB 3.34Å; V32-F36 PolarHBondContact O-N 3.22Å; F36-T38 PolarHBondContact O-N 3.21Å; F36-F39 WeakPolarHBondContact O-CB 3.27Å; F36-F39 PolarHBondContact O-N 3.28Å; F36-F40 AromaticContact CD1-CD2 3.79Å; F36-F40 HydrophobicContact CD1-CD2 3.79Å; F36-F40 AromaticContact CD1-CE2 3.54Å; F36-F40 HydrophobicContact CD1-CE2 3.54Å; F36-F40 AromaticContact CD2-CE2 3.83Å; F36-F40 HydrophobicContact CD2-CE2 3.83Å; F36-F40 AromaticContact CE1-CD2 3.84Å; F36-F40 HydrophobicContact CE1-CD2 3.84Å; F36-F40 AromaticContact CE1-CE2 3.21Å; F36-F40 HydrophobicContact CE1-CE2 3.21Å; F36-F40 HydrophobicContact CE1-CZ 4.08Å; F36-F40 AromaticContact CE2-CE2 3.51Å; F36-F40 HydrophobicContact CE2-CE2 3.51Å; F36-F40 HydrophobicContact CE2-CZ 4.14Å; F36-F40 HydrophobicContact CG-CD2 4.19Å; F36-F40 AromaticContact CG-CE2 3.87Å; F36-F40 HydrophobicContact CG-CE2 3.87Å; F36-F40 HydrophobicContact CZ-CD2 4.25Å; F36-F40 AromaticContact CZ-CE2 3.21Å; F36-F40 HydrophobicContact CZ-CE2 3.21Å; F36-F40 AromaticContact CZ-CZ 3.77Å; F36-F40 HydrophobicContact CZ-CZ 3.77Å; F36-F40 WeakPolarHBondContact O-CD2 3.4Å; F36-F40 PolarHBondContact O-N 3.39Å; F36-F40 VanDerWaalsContact O-N 3.1Å; F36-L280 HydrophobicContact CD1-CD1 4.21Å; F36-L280 HydrophobicContact CE1-CD1 3.72Å |
| 37 | G | 86.5 | Confident | 86.3 | Confident | 2 Ų | 2 | 63.7 Ų | 63.7 | 2% | 0.021 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59.7 | -43.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V33 F40 C41 | V33-G37 WeakPolarHBondContact O-CA 3.34Å; V33-G37 PolarHBondContact O-N 3.32Å; G37-F40 PolarHBondContact O-N 2.93Å; G37-C41 WeakPolarHBondContact O-CB 3.45Å; G37-C41 PolarHBondContact O-N 3.07Å; G37-C41 PolarHBondContact O-SG 3.4Å |
| 38 | T | 86.8 | Confident | 87.2 | Confident | 62 Ų | 62 | 61.6 Ų | 61.6 | 38% | 0.38 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.7 | -43.5 | 177.3 | -57.8 | 0 | 0 | 0 | 0 | 111.3 | L34 C35 F36 F40 C41 L42 | L34-T38 WeakPolarHBondContact O-CB 3.47Å; L34-T38 PolarHBondContact O-N 3.09Å; L34-T38 PolarHBondContact O-OG1 2.72Å; C35-T38 PolarHBondContact O-N 3.01Å; F36-T38 PolarHBondContact O-N 3.21Å; T38-F40 PolarHBondContact O-N 3.24Å; T38-C41 PolarHBondContact O-N 3.39Å; T38-L42 HydrophobicContact CG2-CD1 4.26Å; T38-L42 HydrophobicContact CG2-CG 4.48Å; T38-L42 WeakPolarHBondContact O-CG 3.32Å; T38-L42 PolarHBondContact O-N 3.32Å |
| 39 | F | 90.6 | Very high | 87.9 | Confident | 131 Ų | 131 | 59.7 Ų | 59.7 | 58% | 0.575 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -57 | -48.7 | 175.8 | 173.3 | -96.6 | 0 | 0 | 0 | 112 | C35 F36 L42 F43 | C35-F39 PolarHBondContact O-N 2.87Å; F36-F39 WeakPolarHBondContact O-CB 3.27Å; F36-F39 PolarHBondContact O-N 3.28Å; F39-L42 PolarHBondContact O-N 2.95Å; F39-F43 PolarHBondContact O-N 2.92Å |
| 40 | F | 90.9 | Very high | 88.5 | Confident | 30 Ų | 30 | 56 Ų | 56 | 13% | 0.132 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.1 | -37.3 | 177.2 | -77.3 | -70.2 | 0 | 0 | 0 | 113 | F36 G37 T38 L42 F43 I44 L283 L284 V287 | F36-F40 AromaticContact CD1-CD2 3.79Å; F36-F40 HydrophobicContact CD1-CD2 3.79Å; F36-F40 AromaticContact CD1-CE2 3.54Å; F36-F40 HydrophobicContact CD1-CE2 3.54Å; F36-F40 AromaticContact CD2-CE2 3.83Å; F36-F40 HydrophobicContact CD2-CE2 3.83Å; F36-F40 AromaticContact CE1-CD2 3.84Å; F36-F40 HydrophobicContact CE1-CD2 3.84Å; F36-F40 AromaticContact CE1-CE2 3.21Å; F36-F40 HydrophobicContact CE1-CE2 3.21Å; F36-F40 HydrophobicContact CE1-CZ 4.08Å; F36-F40 AromaticContact CE2-CE2 3.51Å; F36-F40 HydrophobicContact CE2-CE2 3.51Å; F36-F40 HydrophobicContact CE2-CZ 4.14Å; F36-F40 HydrophobicContact CG-CD2 4.19Å; F36-F40 AromaticContact CG-CE2 3.87Å; F36-F40 HydrophobicContact CG-CE2 3.87Å; F36-F40 HydrophobicContact CZ-CD2 4.25Å; F36-F40 AromaticContact CZ-CE2 3.21Å; F36-F40 HydrophobicContact CZ-CE2 3.21Å; F36-F40 AromaticContact CZ-CZ 3.77Å; F36-F40 HydrophobicContact CZ-CZ 3.77Å; F36-F40 WeakPolarHBondContact O-CD2 3.4Å; F36-F40 PolarHBondContact O-N 3.39Å; F36-F40 VanDerWaalsContact O-N 3.1Å; G37-F40 PolarHBondContact O-N 2.93Å; T38-F40 PolarHBondContact O-N 3.24Å; F40-L42 VanDerWaalsContact C-N 3.35Å; F40-L42 PolarHBondContact O-N 2.89Å; F40-F43 PolarHBondContact O-N 2.95Å; F40-I44 WeakPolarHBondContact O-CB 3.39Å; F40-I44 WeakPolarHBondContact O-CG1 3.37Å; F40-I44 PolarHBondContact O-N 2.87Å; F40-L283 HydrophobicContact CB-CD1 4.44Å; F40-L283 HydrophobicContact CB-CD2 3.73Å; F40-L283 HydrophobicContact CB-CG 4.1Å; F40-L283 HydrophobicContact CD2-CD2 4.28Å; F40-L283 HydrophobicContact CG-CD2 4.19Å; F40-L284 HydrophobicContact CE1-CD2 4.06Å; F40-L284 HydrophobicContact CZ-CD2 4.35Å; F40-V287 HydrophobicContact CB-CG2 4.31Å; F40-V287 HydrophobicContact CD1-CG1 4.22Å; F40-V287 HydrophobicContact CD1-CG2 3.6Å; F40-V287 HydrophobicContact CE1-CG1 4.36Å; F40-V287 HydrophobicContact CE1-CG2 4.42Å; F40-V287 HydrophobicContact CG-CG2 4.33Å |
| 41 | C | 90.9 | Very high | 89 | Confident | 3 Ų | 3 | 54.5 Ų | 54.5 | 2% | 0.02 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.8 | -43.4 | 175.6 | -68.7 | 0 | 0 | 0 | 0 | 111.5 | G37 T38 F43 I44 F45 V84 | G37-C41 WeakPolarHBondContact O-CB 3.45Å; G37-C41 PolarHBondContact O-N 3.07Å; G37-C41 PolarHBondContact O-SG 3.4Å; T38-C41 PolarHBondContact O-N 3.39Å; C41-F43 VanDerWaalsContact C-N 3.34Å; C41-F43 PolarHBondContact O-N 3.37Å; C41-I44 PolarHBondContact O-N 2.88Å; C41-F45 WeakPolarHBondContact O-CD2 3.47Å; C41-F45 WeakPolarHBondContact O-CG 3.31Å; C41-F45 PolarHBondContact O-N 3.33Å; C41-V84 HydrophobicContact CB-CG2 3.61Å |
| 42 | L | 91.4 | Very high | 89.5 | Confident | 103 Ų | 103 | 52 Ų | 52 | 54% | 0.539 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.2 | -44.8 | 173.8 | -71.2 | 172.5 | 0 | 0 | 0 | 111.3 | T38 F39 F40 I44 F45 V46 | T38-L42 HydrophobicContact CG2-CD1 4.26Å; T38-L42 HydrophobicContact CG2-CG 4.48Å; T38-L42 WeakPolarHBondContact O-CG 3.32Å; T38-L42 PolarHBondContact O-N 3.32Å; F39-L42 PolarHBondContact O-N 2.95Å; F40-L42 VanDerWaalsContact C-N 3.35Å; F40-L42 PolarHBondContact O-N 2.89Å; L42-I44 PolarHBondContact O-N 3.46Å; L42-F45 PolarHBondContact O-N 2.91Å; L42-V46 WeakPolarHBondContact O-CG2 3.44Å; L42-V46 PolarHBondContact O-N 3.33Å |
| 43 | F | 92.1 | Very high | 89.7 | Confident | 76 Ų | 76 | 48.9 Ų | 48.9 | 33% | 0.333 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.2 | -46.1 | 175.2 | -177.4 | -88.9 | 0 | 0 | 0 | 111.9 | F39 F40 C41 F45 V46 S47 V287 I291 | F39-F43 PolarHBondContact O-N 2.92Å; F40-F43 PolarHBondContact O-N 2.95Å; C41-F43 VanDerWaalsContact C-N 3.34Å; C41-F43 PolarHBondContact O-N 3.37Å; F43-F45 VanDerWaalsContact C-N 3.31Å; F43-F45 PolarHBondContact O-N 3.47Å; F43-V46 PolarHBondContact O-N 3.28Å; F43-S47 WeakPolarHBondContact O-CB 3.17Å; F43-S47 PolarHBondContact O-N 3.45Å; F43-S47 PolarHBondContact O-OG 2.96Å; F43-V287 HydrophobicContact CD1-CB 4.37Å; F43-V287 HydrophobicContact CD1-CG1 3.73Å; F43-V287 HydrophobicContact CD1-CG2 4.34Å; F43-V287 HydrophobicContact CE1-CB 4.47Å; F43-V287 HydrophobicContact CE1-CG1 3.65Å; F43-I291 HydrophobicContact CE1-CD1 4.49Å; F43-I291 HydrophobicContact CZ-CD1 4.43Å; F43-I291 HydrophobicContact CZ-CG1 4.28Å |
| 44 | I | 92.8 | Very high | 90 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56.4 | -46.7 | 177.2 | -71.9 | 163.8 | 0 | 0 | 0 | 110.1 | F40 C41 L42 S47 N48 D76 L283 V287 | F40-I44 WeakPolarHBondContact O-CB 3.39Å; F40-I44 WeakPolarHBondContact O-CG1 3.37Å; F40-I44 PolarHBondContact O-N 2.87Å; C41-I44 PolarHBondContact O-N 2.88Å; L42-I44 PolarHBondContact O-N 3.46Å; I44-S47 PolarHBondContact O-OG 2.85Å; I44-N48 VanDerWaalsContact O-CB 3.27Å; I44-N48 WeakPolarHBondContact O-CB 3.4Å; I44-N48 PolarHBondContact O-N 3.38Å; I44-N48 PolarHBondContact O-ND2 2.96Å; I44-D76 VanDerWaalsContact CG2-O 3.31Å; I44-D76 WeakPolarHBondContact CG2-O 3.3Å; I44-L283 HydrophobicContact CD1-CD1 3.63Å; I44-L283 HydrophobicContact CD1-CG 4.36Å; I44-V287 HydrophobicContact CD1-CG2 3.97Å; I44-V287 HydrophobicContact CG1-CG2 3.68Å |
| 45 | F | 92.9 | Very high | 90.2 | Very high | 48 Ų | 48 | 44.1 Ų | 44.1 | 21% | 0.211 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.8 | -51.5 | 178.9 | -72.8 | -48.9 | 0 | 0 | 0 | 112.4 | C41 L42 F43 S49 F77 I81 V84 | C41-F45 WeakPolarHBondContact O-CD2 3.47Å; C41-F45 WeakPolarHBondContact O-CG 3.31Å; C41-F45 PolarHBondContact O-N 3.33Å; L42-F45 PolarHBondContact O-N 2.91Å; F43-F45 VanDerWaalsContact C-N 3.31Å; F43-F45 PolarHBondContact O-N 3.47Å; F45-S49 WeakPolarHBondContact O-CB 3.39Å; F45-S49 PolarHBondContact O-N 3.32Å; F45-S49 PolarHBondContact O-OG 3.49Å; F45-F77 HydrophobicContact CB-CE2 4.29Å; F45-F77 AromaticContact CD1-CD2 3.66Å; F45-F77 HydrophobicContact CD1-CD2 3.66Å; F45-F77 HydrophobicContact CD1-CE1 4.35Å; F45-F77 AromaticContact CD1-CE2 3.44Å; F45-F77 HydrophobicContact CD1-CE2 3.44Å; F45-F77 VanDerWaalsContact CD1-CE2 3.44Å; F45-F77 HydrophobicContact CD1-CG 4.19Å; F45-F77 AromaticContact CD1-CZ 3.81Å; F45-F77 HydrophobicContact CD1-CZ 3.81Å; F45-F77 HydrophobicContact CE1-CD2 4.4Å; F45-F77 HydrophobicContact CE1-CE1 4.31Å; F45-F77 HydrophobicContact CE1-CE2 4.19Å; F45-F77 HydrophobicContact CE1-CZ 4.13Å; F45-F77 WeakPolarHBondContact CE1-O 3.12Å; F45-F77 HydrophobicContact CG-CE2 4.28Å; F45-I81 HydrophobicContact CE1-CG1 3.65Å; F45-I81 HydrophobicContact CZ-CG1 3.9Å; F45-V84 HydrophobicContact CE2-CG2 3.85Å; F45-V84 HydrophobicContact CZ-CG2 4.2Å |
| 46 | V | 91.5 | Very high | 90.3 | Very high | 104 Ų | 104 | 45.1 Ų | 45.1 | 63% | 0.63 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -64.5 | -49.8 | -177.2 | 172.8 | 0 | 0 | 0 | 0 | 110.6 | L42 F43 S49 L50 | L42-V46 WeakPolarHBondContact O-CG2 3.44Å; L42-V46 PolarHBondContact O-N 3.33Å; F43-V46 PolarHBondContact O-N 3.28Å; V46-S49 PolarHBondContact O-N 2.9Å; V46-L50 WeakPolarHBondContact O-CB 3.08Å; V46-L50 PolarHBondContact O-N 3.35Å |
| 47 | S | 91.2 | Very high | 90.1 | Very high | 11 Ų | 11 | 47.6 Ų | 47.6 | 8% | 0.077 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.6 | -44.6 | -174.4 | 61.8 | 0 | 0 | 0 | 0 | 112.7 | F43 I44 L50 V51 P290 | F43-S47 WeakPolarHBondContact O-CB 3.17Å; F43-S47 PolarHBondContact O-N 3.45Å; F43-S47 PolarHBondContact O-OG 2.96Å; I44-S47 PolarHBondContact O-OG 2.85Å; S47-L50 WeakPolarHBondContact O-CB 3.31Å; S47-L50 PolarHBondContact O-N 3.2Å; S47-V51 WeakPolarHBondContact O-CG2 3.34Å; S47-V51 PolarHBondContact O-N 3.38Å; S47-V51 VanDerWaalsContact O-N 3.16Å; S47-P290 WeakPolarHBondContact OG-CG 3.18Å |
| 48 | N | 93.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -71.5 | -34.1 | 177.4 | -72.7 | -72.2 | 0 | 0 | 0 | 112.4 | I44 L50 V51 I52 A73 F77 S286 P290 | I44-N48 VanDerWaalsContact O-CB 3.27Å; I44-N48 WeakPolarHBondContact O-CB 3.4Å; I44-N48 PolarHBondContact O-N 3.38Å; I44-N48 PolarHBondContact O-ND2 2.96Å; N48-L50 VanDerWaalsContact C-N 3.28Å; N48-L50 PolarHBondContact O-N 3.14Å; N48-V51 WeakPolarHBondContact O-CB 3.47Å; N48-V51 PolarHBondContact O-N 2.93Å; N48-I52 WeakPolarHBondContact O-CG1 2.93Å; N48-I52 PolarHBondContact O-N 3.37Å; N48-I52 VanDerWaalsContact O-N 3.07Å; N48-A73 HydrophobicContact CB-CB 4.16Å; N48-A73 WeakPolarHBondContact CB-O 2.93Å; N48-A73 WeakPolarHBondContact OD1-CA 3.48Å; N48-F77 HydrophobicContact CB-CB 4.37Å; N48-S286 PolarHBondContact ND2-O 3.48Å; N48-P290 WeakPolarHBondContact OD1-CG 3.43Å |
| 49 | S | 92.5 | Very high | 89.6 | Confident | 49 Ų | 49 | 54.1 Ų | 54.1 | 34% | 0.343 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.3 | -38.6 | 171.6 | -61.1 | 0 | 0 | 0 | 0 | 111.7 | F45 V46 I52 A53 F77 | F45-S49 WeakPolarHBondContact O-CB 3.39Å; F45-S49 PolarHBondContact O-N 3.32Å; F45-S49 PolarHBondContact O-OG 3.49Å; V46-S49 PolarHBondContact O-N 2.9Å; S49-I52 PolarHBondContact O-N 2.91Å; S49-A53 WeakPolarHBondContact O-CB 3.36Å; S49-A53 PolarHBondContact O-N 3.17Å; S49-F77 WeakPolarHBondContact OG-CE2 3.49Å |
| 50 | L | 90.4 | Very high | 88.9 | Confident | 37 Ų | 37 | 54.1 Ų | 54.1 | 19% | 0.194 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65 | -39.2 | 176.7 | -167.8 | 70.6 | 0 | 0 | 0 | 112.1 | V46 S47 N48 A53 A54 M304 M307 I308 | V46-L50 WeakPolarHBondContact O-CB 3.08Å; V46-L50 PolarHBondContact O-N 3.35Å; S47-L50 WeakPolarHBondContact O-CB 3.31Å; S47-L50 PolarHBondContact O-N 3.2Å; N48-L50 VanDerWaalsContact C-N 3.28Å; N48-L50 PolarHBondContact O-N 3.14Å; L50-A53 PolarHBondContact O-N 3.14Å; L50-A54 WeakPolarHBondContact O-CB 3.28Å; L50-A54 PolarHBondContact O-N 2.87Å; L50-M304 HydrophobicContact CD2-CB 3.72Å; L50-M304 HydrophobicContact CD2-CG 3.79Å; L50-M304 HydrophobicContact CD2-SD 4.1Å; L50-M304 HydrophobicContact CG-CB 4.23Å; L50-M304 HydrophobicContact CG-CG 3.93Å; L50-M307 HydrophobicContact CD1-CB 3.97Å; L50-M307 HydrophobicContact CD1-CE 3.59Å; L50-M307 HydrophobicContact CD1-SD 4.34Å; L50-M307 HydrophobicContact CG-CE 3.99Å; L50-I308 HydrophobicContact CD1-CG1 4.37Å; L50-I308 HydrophobicContact CD2-CD1 3.67Å; L50-I308 HydrophobicContact CD2-CG1 3.96Å |
| 51 | V | 90.5 | Very high | 88.2 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.4 | -49 | 173.7 | 178.6 | 0 | 0 | 0 | 0 | 110.6 | S47 N48 A53 A54 V55 A73 P290 Y293 M304 | S47-V51 WeakPolarHBondContact O-CG2 3.34Å; S47-V51 PolarHBondContact O-N 3.38Å; S47-V51 VanDerWaalsContact O-N 3.16Å; N48-V51 WeakPolarHBondContact O-CB 3.47Å; N48-V51 PolarHBondContact O-N 2.93Å; V51-A53 PolarHBondContact O-N 3.25Å; V51-A54 WeakPolarHBondContact O-CB 3.26Å; V51-A54 PolarHBondContact O-N 2.96Å; V51-V55 WeakPolarHBondContact O-CG2 3.47Å; V51-V55 PolarHBondContact O-N 3.41Å; V51-V55 VanDerWaalsContact O-N 3.16Å; V51-A73 HydrophobicContact CB-CB 3.88Å; V51-A73 HydrophobicContact CG1-CB 3.79Å; V51-P290 HydrophobicContact CG2-CB 4.17Å; V51-P290 HydrophobicContact CG2-CG 4.2Å; V51-Y293 HydrophobicContact CG1-CD2 4.08Å; V51-Y293 HydrophobicContact CG1-CE2 4.14Å; V51-Y293 HydrophobicContact CG2-CD2 3.7Å; V51-Y293 HydrophobicContact CG2-CE2 4.1Å; V51-M304 HydrophobicContact CB-CE 3.99Å; V51-M304 HydrophobicContact CG2-CE 3.33Å |
| 52 | I | 91.5 | Very high | 87.7 | Confident | 53 Ų | 53 | 56.1 Ų | 56.1 | 27% | 0.272 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.5 | -47.5 | 179.1 | -63.8 | 165.5 | 0 | 0 | 0 | 109.9 | N48 S49 A54 V55 V56 A73 A74 | N48-I52 WeakPolarHBondContact O-CG1 2.93Å; N48-I52 PolarHBondContact O-N 3.37Å; N48-I52 VanDerWaalsContact O-N 3.07Å; S49-I52 PolarHBondContact O-N 2.91Å; I52-A54 VanDerWaalsContact C-N 3.33Å; I52-A54 PolarHBondContact O-N 3.47Å; I52-V55 PolarHBondContact O-N 3.28Å; I52-V56 WeakPolarHBondContact O-CG2 3.37Å; I52-V56 PolarHBondContact O-N 2.86Å; I52-A73 HydrophobicContact CD1-CB 4.39Å; I52-A73 HydrophobicContact CG1-CB 3.91Å; I52-A74 HydrophobicContact CD1-CB 4.23Å |
| 53 | A | 89.1 | Confident | 86.9 | Confident | 32 Ų | 32 | 55.5 Ų | 55.5 | 26% | 0.264 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.2 | -39 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S49 L50 V51 V56 K57 M307 | S49-A53 WeakPolarHBondContact O-CB 3.36Å; S49-A53 PolarHBondContact O-N 3.17Å; L50-A53 PolarHBondContact O-N 3.14Å; V51-A53 PolarHBondContact O-N 3.25Å; A53-V56 PolarHBondContact O-N 3.12Å; A53-K57 WeakPolarHBondContact O-CB 3.25Å; A53-K57 WeakPolarHBondContact O-CG 3.12Å; A53-K57 PolarHBondContact O-N 3.21Å; A53-M307 HydrophobicContact CB-SD 4.14Å |
| 54 | A | 87.6 | Confident | 86.1 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61 | -45.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L50 V51 I52 N58 F61 M300 T303 M304 M307 | L50-A54 WeakPolarHBondContact O-CB 3.28Å; L50-A54 PolarHBondContact O-N 2.87Å; V51-A54 WeakPolarHBondContact O-CB 3.26Å; V51-A54 PolarHBondContact O-N 2.96Å; I52-A54 VanDerWaalsContact C-N 3.33Å; I52-A54 PolarHBondContact O-N 3.47Å; A54-N58 WeakPolarHBondContact O-CB 3.3Å; A54-N58 PolarHBondContact O-N 2.94Å; A54-F61 HydrophobicContact CB-CE2 4.47Å; A54-F61 WeakPolarHBondContact O-CD2 3.21Å; A54-M300 HydrophobicContact CB-SD 3.66Å; A54-T303 HydrophobicContact CB-CG2 4.06Å; A54-M304 HydrophobicContact CB-CG 4.49Å; A54-M307 HydrophobicContact CB-CE 3.57Å |
| 55 | V | 87.9 | Confident | 85.5 | Confident | 3 Ų | 3 | 53.2 Ų | 53.2 | 2% | 0.018 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66 | -38.5 | 179.4 | 175.3 | 0 | 0 | 0 | 0 | 111.7 | V51 I52 F61 A70 M300 | V51-V55 WeakPolarHBondContact O-CG2 3.47Å; V51-V55 PolarHBondContact O-N 3.41Å; V51-V55 VanDerWaalsContact O-N 3.16Å; I52-V55 PolarHBondContact O-N 3.28Å; V55-F61 HydrophobicContact CG1-CB 4.38Å; V55-A70 HydrophobicContact CB-CB 4.16Å; V55-A70 HydrophobicContact CG1-CB 4.05Å; V55-A70 HydrophobicContact CG2-CB 4.2Å; V55-M300 HydrophobicContact CG2-CE 4.13Å |
| 56 | V | 87.6 | Confident | 85 | Confident | 104 Ų | 104 | 52.2 Ų | 52.2 | 63% | 0.63 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -71 | -40.7 | 178.9 | 172.7 | 0 | 0 | 0 | 0 | 112.2 | I52 A53 | I52-V56 WeakPolarHBondContact O-CG2 3.37Å; I52-V56 PolarHBondContact O-N 2.86Å; A53-V56 PolarHBondContact O-N 3.12Å |
| 57 | K | 84.4 | Confident | 84.8 | Confident | 152 Ų | 152 | 50.3 Ų | 50.3 | 66% | 0.661 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -79.7 | -34.9 | -175.6 | -73.2 | -174.1 | 176.7 | -178 | 0 | 113.4 | A53 M307 | A53-K57 WeakPolarHBondContact O-CB 3.25Å; A53-K57 WeakPolarHBondContact O-CG 3.12Å; A53-K57 PolarHBondContact O-N 3.21Å; K57-M307 HydrophobicContact CD-SD 3.99Å |
| 58 | N | 82.4 | Confident | 84.7 | Confident | 24 Ų | 24 | 49.8 Ų | 49.8 | 13% | 0.128 | 24% | 0.24 | C | C | . | . | trans | -94.5 | 109.1 | -174.1 | -171.5 | -9.5 | 0 | 0 | 0 | 111.5 | A54 R60 F61 T303 | A54-N58 WeakPolarHBondContact O-CB 3.3Å; A54-N58 PolarHBondContact O-N 2.94Å; N58-R60 PolarHBondContact O-N 3.36Å; N58-R60 VanDerWaalsContact OD1-CB 3.32Å; N58-R60 WeakPolarHBondContact OD1-CB 3.48Å; N58-R60 PolarHBondContact OD1-N 3.35Å; N58-F61 HydrophobicContact CB-CD2 3.6Å; N58-F61 HydrophobicContact CB-CE2 3.86Å; N58-F61 HydrophobicContact CB-CG 4.23Å; N58-F61 WeakPolarHBondContact ND2-CE2 3.4Å; N58-F61 WeakPolarHBondContact O-CB 3.28Å; N58-F61 PolarHBondContact O-N 2.96Å; N58-T303 HydrophobicContact CB-CG2 4.19Å; N58-T303 PolarHBondContact ND2-OG1 3.1Å | ||
| 59 | K | 80.4 | Confident | 84.4 | Confident | 176 Ų | 176 | 50.1 Ų | 50.1 | 77% | 0.765 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | -56.7 | -25.4 | 177.8 | -67.3 | -177.6 | -178.7 | 175.9 | 0 | 113.4 | F61 H62 | K59-F61 PolarHBondContact O-N 3.35Å; K59-H62 WeakPolarHBondContact O-CB 3.29Å; K59-H62 PolarHBondContact O-N 3.25Å |
| 60 | R | 75.1 | Confident | 84.3 | Confident | 132 Ų | 132 | 48.6 Ų | 48.6 | 50% | 0.498 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -67.3 | -18.1 | 175.8 | -63.7 | -175.3 | 178.9 | 171.8 | 6.4 | 113.1 | N58 F63 E299 | N58-R60 PolarHBondContact O-N 3.36Å; N58-R60 VanDerWaalsContact OD1-CB 3.32Å; N58-R60 WeakPolarHBondContact OD1-CB 3.48Å; N58-R60 PolarHBondContact OD1-N 3.35Å; R60-F63 WeakPolarHBondContact O-CD2 3.27Å; R60-F63 WeakPolarHBondContact O-CE2 3.49Å; R60-E299 WeakPolarHBondContact CD-OE1 3.39Å; R60-E299 IonicContact CZ-OE1 2.86Å; R60-E299 IonicContact NE-OE1 2.86Å; R60-E299 IonicContact NH1-OE1 3.78Å; R60-E299 PolarHBondContact NH1-OE1 3.16Å |
| 61 | F | 77.5 | Confident | 84.4 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -93.2 | 7.2 | 175.5 | -57.9 | -29.8 | 0 | 0 | 0 | 113.2 | A54 V55 N58 K59 F63 Y66 E299 M300 T303 | A54-F61 HydrophobicContact CB-CE2 4.47Å; A54-F61 WeakPolarHBondContact O-CD2 3.21Å; V55-F61 HydrophobicContact CG1-CB 4.38Å; N58-F61 HydrophobicContact CB-CD2 3.6Å; N58-F61 HydrophobicContact CB-CE2 3.86Å; N58-F61 HydrophobicContact CB-CG 4.23Å; N58-F61 WeakPolarHBondContact ND2-CE2 3.4Å; N58-F61 WeakPolarHBondContact O-CB 3.28Å; N58-F61 PolarHBondContact O-N 2.96Å; K59-F61 PolarHBondContact O-N 3.35Å; F61-F63 PolarHBondContact O-N 3.12Å; F61-Y66 HydrophobicContact CB-CD1 4.33Å; F61-Y66 HydrophobicContact CB-CD2 4.09Å; F61-Y66 HydrophobicContact CB-CG 3.93Å; F61-Y66 HydrophobicContact CD1-CD1 4.13Å; F61-Y66 HydrophobicContact CD1-CD2 4.17Å; F61-Y66 AromaticContact CD1-CE1 3.83Å; F61-Y66 HydrophobicContact CD1-CE1 3.83Å; F61-Y66 AromaticContact CD1-CE2 3.9Å; F61-Y66 HydrophobicContact CD1-CE2 3.9Å; F61-Y66 HydrophobicContact CD1-CG 4.3Å; F61-Y66 AromaticContact CD1-CZ 3.73Å; F61-Y66 HydrophobicContact CE1-CE1 4.19Å; F61-Y66 HydrophobicContact CG-CD1 4.31Å; F61-Y66 HydrophobicContact CG-CE1 4.45Å; F61-Y66 HydrophobicContact CG-CG 4.36Å; F61-Y66 WeakPolarHBondContact O-CB 3.06Å; F61-E299 HydrophobicContact CE1-CB 4.36Å; F61-E299 HydrophobicContact CE1-CG 3.88Å; F61-E299 HydrophobicContact CZ-CB 4.39Å; F61-E299 HydrophobicContact CZ-CG 3.91Å; F61-M300 HydrophobicContact CD2-CE 4.21Å; F61-M300 HydrophobicContact CE2-CE 4Å; F61-M300 HydrophobicContact CE2-SD 3.88Å; F61-M300 HydrophobicContact CZ-CB 4.44Å; F61-M300 HydrophobicContact CZ-CE 4.27Å; F61-M300 HydrophobicContact CZ-SD 4.31Å; F61-T303 HydrophobicContact CE2-CG2 4.31Å |
| 62 | H | 80.4 | Confident | 84.5 | Confident | 75 Ų | 75 | 47.4 Ų | 47.4 | 35% | 0.347 | 23% | 0.225 | S | C | . | . | trans | -77.5 | 47.7 | 175.5 | -68.8 | 168.6 | 0 | 0 | 0 | 113.6 | K59 Y67 | K59-H62 WeakPolarHBondContact O-CB 3.29Å; K59-H62 PolarHBondContact O-N 3.25Å; H62-Y67 PolarHBondContact CD2-OH 3.45Å | ||
| 63 | F | 74.6 | Confident | 84.6 | Confident | 90 Ų | 90 | 44.9 Ų | 44.9 | 40% | 0.395 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -111.2 | 149.9 | 171.1 | -64.6 | -80.2 | 0 | 0 | 0 | 110.9 | R60 F61 F65 Y66 Y67 H137 | R60-F63 WeakPolarHBondContact O-CD2 3.27Å; R60-F63 WeakPolarHBondContact O-CE2 3.49Å; F61-F63 PolarHBondContact O-N 3.12Å; F63-F65 PolarHBondContact O-N 2.9Å; F63-Y66 HydrophobicContact CB-CD2 4.07Å; F63-Y66 HydrophobicContact CD2-CD2 4.34Å; F63-Y66 HydrophobicContact CD2-CE2 4.38Å; F63-Y66 PolarHBondContact O-N 3.03Å; F63-Y67 WeakPolarHBondContact O-CD2 3.3Å; F63-Y67 PolarHBondContact O-N 3.38Å; F63-H137 AromaticContact CE1-CD2 3.51Å |
| 64 | P | 75.2 | Confident | 84.9 | Confident | 17 Ų | 17 | 44.8 Ų | 44.8 | 11% | 0.11 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -47 | -40.2 | -178.5 | -34.8 | 39.9 | 0 | 0 | 0 | 115.4 | Y67 L68 L140 V145 | P64-Y67 PolarHBondContact O-N 3.39Å; P64-L68 PolarHBondContact O-N 3.3Å; P64-L140 HydrophobicContact CB-CB 3.5Å; P64-L140 HydrophobicContact CB-CD1 3.84Å; P64-L140 HydrophobicContact CB-CG 4.34Å; P64-L140 HydrophobicContact CG-CB 3.54Å; P64-L140 WeakPolarHBondContact CG-O 3.45Å; P64-V145 HydrophobicContact CB-CG2 3.68Å; P64-V145 HydrophobicContact CG-CG2 4.23Å |
| 65 | F | 78.9 | Confident | 85.2 | Confident | 11 Ų | 11 | 44.8 Ų | 44.8 | 5% | 0.048 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.5 | -45.1 | 178.6 | 169.3 | -103.7 | 0 | 0 | 0 | 113.2 | F63 Y67 L68 L69 I123 R127 L237 V241 | F63-F65 PolarHBondContact O-N 2.9Å; F65-Y67 VanDerWaalsContact C-N 3.27Å; F65-Y67 PolarHBondContact O-N 3.12Å; F65-L68 PolarHBondContact O-N 3.24Å; F65-L68 VanDerWaalsContact O-N 3.16Å; F65-L69 HydrophobicContact CE1-CD2 4.45Å; F65-L69 HydrophobicContact CZ-CD1 4.27Å; F65-L69 PolarHBondContact O-N 3.38Å; F65-I123 HydrophobicContact CE2-CG2 4.07Å; F65-R127 VanDerWaalsContact CE2-NH2 3.25Å; F65-L237 HydrophobicContact CD1-CD1 4.47Å; F65-L237 HydrophobicContact CD1-CD2 4.19Å; F65-L237 HydrophobicContact CE1-CD1 3.61Å; F65-L237 HydrophobicContact CE1-CD2 4.08Å; F65-L237 HydrophobicContact CE1-CG 4.06Å; F65-L237 HydrophobicContact CZ-CD1 4Å; F65-L237 HydrophobicContact CZ-CG 4.29Å; F65-V241 HydrophobicContact CE2-CG2 3.52Å; F65-V241 HydrophobicContact CZ-CG2 3.56Å |
| 66 | Y | 83.6 | Confident | 85.5 | Confident | 27 Ų | 27 | 44.6 Ų | 44.6 | 11% | 0.106 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -69.6 | -27.1 | -178.7 | -71.5 | -69.3 | 0 | 0 | 0 | 111.8 | F61 F63 L69 A70 D297 M300 | F61-Y66 HydrophobicContact CB-CD1 4.33Å; F61-Y66 HydrophobicContact CB-CD2 4.09Å; F61-Y66 HydrophobicContact CB-CG 3.93Å; F61-Y66 HydrophobicContact CD1-CD1 4.13Å; F61-Y66 HydrophobicContact CD1-CD2 4.17Å; F61-Y66 AromaticContact CD1-CE1 3.83Å; F61-Y66 HydrophobicContact CD1-CE1 3.83Å; F61-Y66 AromaticContact CD1-CE2 3.9Å; F61-Y66 HydrophobicContact CD1-CE2 3.9Å; F61-Y66 HydrophobicContact CD1-CG 4.3Å; F61-Y66 AromaticContact CD1-CZ 3.73Å; F61-Y66 HydrophobicContact CE1-CE1 4.19Å; F61-Y66 HydrophobicContact CG-CD1 4.31Å; F61-Y66 HydrophobicContact CG-CE1 4.45Å; F61-Y66 HydrophobicContact CG-CG 4.36Å; F61-Y66 WeakPolarHBondContact O-CB 3.06Å; F63-Y66 HydrophobicContact CB-CD2 4.07Å; F63-Y66 HydrophobicContact CD2-CD2 4.34Å; F63-Y66 HydrophobicContact CD2-CE2 4.38Å; F63-Y66 PolarHBondContact O-N 3.03Å; Y66-L69 HydrophobicContact CD1-CD2 4.22Å; Y66-L69 WeakPolarHBondContact O-CB 3.3Å; Y66-L69 PolarHBondContact O-N 2.89Å; Y66-A70 WeakPolarHBondContact O-CB 3.49Å; Y66-A70 PolarHBondContact O-N 2.89Å; Y66-D297 PolarHBondContact OH-OD2 3.28Å; Y66-M300 HydrophobicContact CD1-CE 4.15Å; Y66-M300 HydrophobicContact CE1-CE 4.24Å |
| 67 | Y | 87.8 | Confident | 85.8 | Confident | 63 Ų | 63 | 43 Ų | 43 | 25% | 0.247 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.8 | -40.4 | 169.6 | -70.9 | -65.1 | 0 | 0 | 0 | 112.4 | H62 F63 P64 F65 L69 A70 N71 | H62-Y67 PolarHBondContact CD2-OH 3.45Å; F63-Y67 WeakPolarHBondContact O-CD2 3.3Å; F63-Y67 PolarHBondContact O-N 3.38Å; P64-Y67 PolarHBondContact O-N 3.39Å; F65-Y67 VanDerWaalsContact C-N 3.27Å; F65-Y67 PolarHBondContact O-N 3.12Å; Y67-L69 VanDerWaalsContact C-N 3.32Å; Y67-A70 PolarHBondContact O-N 2.87Å; Y67-N71 WeakPolarHBondContact O-CB 3.35Å; Y67-N71 PolarHBondContact O-N 3.39Å |
| 68 | L | 87.4 | Confident | 86.4 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.5 | -36.1 | 173.2 | -67.5 | 171.3 | 0 | 0 | 0 | 111.7 | P64 F65 N71 L72 N119 V122 I123 | P64-L68 PolarHBondContact O-N 3.3Å; F65-L68 PolarHBondContact O-N 3.24Å; F65-L68 VanDerWaalsContact O-N 3.16Å; L68-N71 PolarHBondContact O-N 3.48Å; L68-L72 PolarHBondContact O-N 3.28Å; L68-N119 PolarHBondContact O-ND2 3.46Å; L68-V122 HydrophobicContact CD1-CG1 3.96Å; L68-V122 HydrophobicContact CD2-CG1 3.87Å; L68-I123 HydrophobicContact CB-CD1 4.17Å; L68-I123 HydrophobicContact CB-CG1 3.75Å; L68-I123 HydrophobicContact CD1-CG1 4.11Å |
| 69 | L | 86.8 | Confident | 86.9 | Confident | 7 Ų | 7 | 37 Ų | 37 | 4% | 0.037 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.7 | -44.8 | 173.3 | -159.2 | 71.9 | 0 | 0 | 0 | 112.1 | F65 Y66 Y67 N71 L72 A73 L244 Y293 M300 | F65-L69 HydrophobicContact CE1-CD2 4.45Å; F65-L69 HydrophobicContact CZ-CD1 4.27Å; F65-L69 PolarHBondContact O-N 3.38Å; Y66-L69 HydrophobicContact CD1-CD2 4.22Å; Y66-L69 WeakPolarHBondContact O-CB 3.3Å; Y66-L69 PolarHBondContact O-N 2.89Å; Y67-L69 VanDerWaalsContact C-N 3.32Å; L69-N71 VanDerWaalsContact C-N 3.3Å; L69-N71 PolarHBondContact O-N 3.49Å; L69-L72 WeakPolarHBondContact O-CB 3.26Å; L69-L72 PolarHBondContact O-N 2.91Å; L69-L72 VanDerWaalsContact O-N 3.09Å; L69-A73 PolarHBondContact O-N 3.24Å; L69-L244 HydrophobicContact CD1-CD1 4.4Å; L69-Y293 HydrophobicContact CD1-CD1 4Å; L69-Y293 HydrophobicContact CD1-CE1 3.23Å; L69-Y293 HydrophobicContact CD2-CD1 4.14Å; L69-Y293 HydrophobicContact CD2-CE1 4.12Å; L69-Y293 HydrophobicContact CG-CD1 4.37Å; L69-Y293 HydrophobicContact CG-CE1 3.84Å; L69-Y293 HydrophobicContact CG-CE2 4.46Å; L69-M300 HydrophobicContact CD2-CE 4.17Å |
| 70 | A | 90.4 | Very high | 87.5 | Confident | 16 Ų | 16 | 28.7 Ų | 28.7 | 13% | 0.132 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.5 | -37.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | V55 Y66 Y67 L72 A73 A74 | V55-A70 HydrophobicContact CB-CB 4.16Å; V55-A70 HydrophobicContact CG1-CB 4.05Å; V55-A70 HydrophobicContact CG2-CB 4.2Å; Y66-A70 WeakPolarHBondContact O-CB 3.49Å; Y66-A70 PolarHBondContact O-N 2.89Å; Y67-A70 PolarHBondContact O-N 2.87Å; A70-L72 VanDerWaalsContact C-N 3.26Å; A70-L72 PolarHBondContact O-N 3.22Å; A70-A73 PolarHBondContact O-N 2.94Å; A70-A74 PolarHBondContact O-N 3.47Å |
| 71 | N | 94.3 | Very high | 88.4 | Confident | 12 Ų | 12 | 26.1 Ų | 26.1 | 6% | 0.064 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.2 | -30.4 | 172.9 | -170.2 | 60.1 | 0 | 0 | 0 | 112.2 | Y67 L68 L69 A74 A75 N119 I149 W153 | Y67-N71 WeakPolarHBondContact O-CB 3.35Å; Y67-N71 PolarHBondContact O-N 3.39Å; L68-N71 PolarHBondContact O-N 3.48Å; L69-N71 VanDerWaalsContact C-N 3.3Å; L69-N71 PolarHBondContact O-N 3.49Å; N71-A74 PolarHBondContact O-N 3.46Å; N71-A75 PolarHBondContact O-N 3.33Å; N71-N119 VanDerWaalsContact C-ND2 3.34Å; N71-N119 PolarHBondContact ND2-ND2 2.93Å; N71-I149 HydrophobicContact CB-CD1 4.22Å; N71-I149 HydrophobicContact CB-CG1 4.12Å; N71-I149 WeakPolarHBondContact OD1-CG2 3.42Å; N71-W153 PolarHBondContact OD1-NE1 2.91Å |
| 72 | L | 91.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -69.7 | -45.4 | 175.2 | -174 | 55.8 | 0 | 0 | 0 | 110 | L68 L69 A70 A74 A75 D76 N119 L120 I123 Y293 | L68-L72 PolarHBondContact O-N 3.28Å; L69-L72 WeakPolarHBondContact O-CB 3.26Å; L69-L72 PolarHBondContact O-N 2.91Å; L69-L72 VanDerWaalsContact O-N 3.09Å; A70-L72 VanDerWaalsContact C-N 3.26Å; A70-L72 PolarHBondContact O-N 3.22Å; L72-A74 VanDerWaalsContact C-N 3.25Å; L72-A74 PolarHBondContact O-N 3.43Å; L72-A75 WeakPolarHBondContact O-CB 2.94Å; L72-A75 PolarHBondContact O-N 3.35Å; L72-A75 VanDerWaalsContact O-N 3.11Å; L72-D76 PolarHBondContact O-N 3.01Å; L72-N119 WeakPolarHBondContact CA-ND2 3.43Å; L72-N119 VanDerWaalsContact CB-ND2 3.27Å; L72-N119 WeakPolarHBondContact CB-ND2 3.39Å; L72-N119 PolarHBondContact N-ND2 2.9Å; L72-L120 HydrophobicContact CD1-CD2 4.38Å; L72-L120 HydrophobicContact CD1-CG 4.22Å; L72-L120 HydrophobicContact CD2-CD2 3.61Å; L72-L120 HydrophobicContact CD2-CG 4.34Å; L72-I123 HydrophobicContact CD2-CD1 4.41Å; L72-Y293 VanDerWaalsContact CD2-OH 3.28Å; L72-Y293 WeakPolarHBondContact CD2-OH 3.48Å |
| 73 | A | 92.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -59.9 | -35.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | N48 V51 I52 L69 A70 D76 F77 | N48-A73 HydrophobicContact CB-CB 4.16Å; N48-A73 WeakPolarHBondContact CB-O 2.93Å; N48-A73 WeakPolarHBondContact OD1-CA 3.48Å; V51-A73 HydrophobicContact CB-CB 3.88Å; V51-A73 HydrophobicContact CG1-CB 3.79Å; I52-A73 HydrophobicContact CD1-CB 4.39Å; I52-A73 HydrophobicContact CG1-CB 3.91Å; L69-A73 PolarHBondContact O-N 3.24Å; A70-A73 PolarHBondContact O-N 2.94Å; A73-D76 PolarHBondContact O-N 3.39Å; A73-F77 WeakPolarHBondContact O-CB 3.49Å; A73-F77 PolarHBondContact O-N 2.91Å |
| 74 | A | 95 | Very high | 90.5 | Very high | 30 Ų | 30 | 20.5 Ų | 20.5 | 25% | 0.248 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -67.2 | -38.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I52 A70 N71 L72 F77 F78 W153 | I52-A74 HydrophobicContact CD1-CB 4.23Å; A70-A74 PolarHBondContact O-N 3.47Å; N71-A74 PolarHBondContact O-N 3.46Å; L72-A74 VanDerWaalsContact C-N 3.25Å; L72-A74 PolarHBondContact O-N 3.43Å; A74-F77 PolarHBondContact O-N 3.25Å; A74-F78 WeakPolarHBondContact O-CB 3.2Å; A74-F78 PolarHBondContact O-N 3.43Å; A74-W153 HydrophobicContact CB-CZ2 4.39Å |
| 75 | A | 95.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.8 | -41.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | N71 L72 F78 A79 A115 S116 | N71-A75 PolarHBondContact O-N 3.33Å; L72-A75 WeakPolarHBondContact O-CB 2.94Å; L72-A75 PolarHBondContact O-N 3.35Å; L72-A75 VanDerWaalsContact O-N 3.11Å; A75-F78 WeakPolarHBondContact O-CB 3.37Å; A75-F78 PolarHBondContact O-N 3.06Å; A75-A79 PolarHBondContact O-N 3.13Å; A75-A115 HydrophobicContact CB-CB 3.91Å; A75-S116 WeakPolarHBondContact CB-OG 2.92Å |
| 76 | D | 94.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -68.6 | -36.4 | 174.6 | -73 | -47.8 | 0 | 0 | 0 | 112.8 | I44 L72 A73 F78 A79 G80 S286 N289 | I44-D76 VanDerWaalsContact CG2-O 3.31Å; I44-D76 WeakPolarHBondContact CG2-O 3.3Å; L72-D76 PolarHBondContact O-N 3.01Å; A73-D76 PolarHBondContact O-N 3.39Å; D76-F78 VanDerWaalsContact C-N 3.32Å; D76-A79 WeakPolarHBondContact O-CB 3.16Å; D76-A79 PolarHBondContact O-N 3.14Å; D76-G80 PolarHBondContact O-N 3.05Å; D76-S286 WeakPolarHBondContact OD1-CA 3.36Å; D76-S286 WeakPolarHBondContact OD1-CB 3.33Å; D76-S286 PolarHBondContact OD1-OG 2.79Å; D76-N289 PolarHBondContact OD2-ND2 3.46Å |
| 77 | F | 94.2 | Very high | 91.9 | Very high | 71 Ų | 71 | 22.2 Ų | 22.2 | 31% | 0.311 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -60.2 | -45 | 171.6 | -178.2 | -84.3 | 0 | 0 | 0 | 110.6 | F45 N48 S49 A73 A74 G80 I81 | F45-F77 HydrophobicContact CB-CE2 4.29Å; F45-F77 AromaticContact CD1-CD2 3.66Å; F45-F77 HydrophobicContact CD1-CD2 3.66Å; F45-F77 HydrophobicContact CD1-CE1 4.35Å; F45-F77 AromaticContact CD1-CE2 3.44Å; F45-F77 HydrophobicContact CD1-CE2 3.44Å; F45-F77 VanDerWaalsContact CD1-CE2 3.44Å; F45-F77 HydrophobicContact CD1-CG 4.19Å; F45-F77 AromaticContact CD1-CZ 3.81Å; F45-F77 HydrophobicContact CD1-CZ 3.81Å; F45-F77 HydrophobicContact CE1-CD2 4.4Å; F45-F77 HydrophobicContact CE1-CE1 4.31Å; F45-F77 HydrophobicContact CE1-CE2 4.19Å; F45-F77 HydrophobicContact CE1-CZ 4.13Å; F45-F77 WeakPolarHBondContact CE1-O 3.12Å; F45-F77 HydrophobicContact CG-CE2 4.28Å; N48-F77 HydrophobicContact CB-CB 4.37Å; S49-F77 WeakPolarHBondContact OG-CE2 3.49Å; A73-F77 WeakPolarHBondContact O-CB 3.49Å; A73-F77 PolarHBondContact O-N 2.91Å; A74-F77 PolarHBondContact O-N 3.25Å; F77-G80 WeakPolarHBondContact O-CA 3.32Å; F77-G80 PolarHBondContact O-N 2.88Å; F77-G80 VanDerWaalsContact O-N 3.14Å; F77-I81 HydrophobicContact CD1-CD1 4.31Å; F77-I81 HydrophobicContact CE1-CD1 3.95Å; F77-I81 HydrophobicContact CE1-CG1 4.39Å; F77-I81 PolarHBondContact O-N 3.43Å |
| 78 | F | 95.5 | Very high | 91.8 | Very high | 47 Ų | 47 | 26.1 Ų | 26.1 | 21% | 0.206 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.1 | -38.5 | 174.2 | 177.6 | -99.1 | 0 | 0 | 0 | 112.2 | A74 A75 D76 G80 I81 A82 L108 T111 W153 | A74-F78 WeakPolarHBondContact O-CB 3.2Å; A74-F78 PolarHBondContact O-N 3.43Å; A75-F78 WeakPolarHBondContact O-CB 3.37Å; A75-F78 PolarHBondContact O-N 3.06Å; D76-F78 VanDerWaalsContact C-N 3.32Å; F78-G80 VanDerWaalsContact C-N 3.27Å; F78-G80 PolarHBondContact O-N 3.49Å; F78-I81 WeakPolarHBondContact O-CB 3.33Å; F78-I81 PolarHBondContact O-N 3.12Å; F78-I81 VanDerWaalsContact O-N 3.13Å; F78-A82 PolarHBondContact O-N 3.06Å; F78-L108 HydrophobicContact CE1-CD2 4.47Å; F78-L108 WeakPolarHBondContact CE1-O 2.86Å; F78-L108 HydrophobicContact CE2-CD2 3.96Å; F78-L108 HydrophobicContact CZ-CD2 3.5Å; F78-T111 HydrophobicContact CE1-CG2 3.71Å; F78-T111 HydrophobicContact CZ-CG2 4.07Å; F78-W153 HydrophobicContact CB-CH2 3.92Å; F78-W153 HydrophobicContact CB-CZ3 4.42Å; F78-W153 HydrophobicContact CD1-CH2 4.43Å; F78-W153 HydrophobicContact CD1-CZ3 4.17Å; F78-W153 HydrophobicContact CG-CH2 4.13Å; F78-W153 HydrophobicContact CG-CZ3 4.13Å |
| 79 | A | 93.9 | Very high | 91.8 | Very high | 3 Ų | 3 | 26.7 Ų | 26.7 | 3% | 0.025 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.6 | -40 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | A75 D76 I81 A82 Y83 | A75-A79 PolarHBondContact O-N 3.13Å; D76-A79 WeakPolarHBondContact O-CB 3.16Å; D76-A79 PolarHBondContact O-N 3.14Å; A79-I81 VanDerWaalsContact C-N 3.35Å; A79-I81 PolarHBondContact O-N 3.32Å; A79-A82 CarbonylContact O-C 3.1Å; A79-A82 WeakPolarHBondContact O-CB 3.31Å; A79-A82 PolarHBondContact O-N 2.95Å; A79-A82 VanDerWaalsContact O-N 3.13Å; A79-Y83 HydrophobicContact CB-CD2 4.29Å; A79-Y83 HydrophobicContact CB-CE2 3.95Å; A79-Y83 WeakPolarHBondContact O-CD2 3.45Å; A79-Y83 PolarHBondContact O-N 3.47Å |
| 80 | G | 93.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -55 | -45.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | D76 F77 F78 A82 Y83 V84 | D76-G80 PolarHBondContact O-N 3.05Å; F77-G80 WeakPolarHBondContact O-CA 3.32Å; F77-G80 PolarHBondContact O-N 2.88Å; F77-G80 VanDerWaalsContact O-N 3.14Å; F78-G80 VanDerWaalsContact C-N 3.27Å; F78-G80 PolarHBondContact O-N 3.49Å; G80-A82 PolarHBondContact O-N 2.8Å; G80-Y83 PolarHBondContact O-N 3.41Å; G80-V84 WeakPolarHBondContact O-CG2 3.26Å; G80-V84 PolarHBondContact O-N 3.36Å |
| 81 | I | 92.8 | Very high | 91.2 | Very high | 79 Ų | 79 | 27.2 Ų | 27.2 | 41% | 0.405 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -60.6 | -46 | 174.3 | -56.4 | 179.5 | 0 | 0 | 0 | 110.6 | F45 F77 F78 A79 Y83 V84 F85 | F45-I81 HydrophobicContact CE1-CG1 3.65Å; F45-I81 HydrophobicContact CZ-CG1 3.9Å; F77-I81 HydrophobicContact CD1-CD1 4.31Å; F77-I81 HydrophobicContact CE1-CD1 3.95Å; F77-I81 HydrophobicContact CE1-CG1 4.39Å; F77-I81 PolarHBondContact O-N 3.43Å; F78-I81 WeakPolarHBondContact O-CB 3.33Å; F78-I81 PolarHBondContact O-N 3.12Å; F78-I81 VanDerWaalsContact O-N 3.13Å; A79-I81 VanDerWaalsContact C-N 3.35Å; A79-I81 PolarHBondContact O-N 3.32Å; I81-Y83 PolarHBondContact O-N 2.97Å; I81-V84 PolarHBondContact O-N 3.21Å; I81-F85 PolarHBondContact O-N 2.93Å |
| 82 | A | 93.9 | Very high | 90.5 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.008 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.3 | -42.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | F78 A79 G80 F85 L86 L108 L109 | F78-A82 PolarHBondContact O-N 3.06Å; A79-A82 CarbonylContact O-C 3.1Å; A79-A82 WeakPolarHBondContact O-CB 3.31Å; A79-A82 PolarHBondContact O-N 2.95Å; A79-A82 VanDerWaalsContact O-N 3.13Å; G80-A82 PolarHBondContact O-N 2.8Å; A82-F85 PolarHBondContact O-N 3.3Å; A82-L86 WeakPolarHBondContact O-CB 3.37Å; A82-L86 PolarHBondContact O-N 3.48Å; A82-L108 HydrophobicContact CB-CB 3.69Å; A82-L109 HydrophobicContact CB-CD2 3.82Å; A82-L109 HydrophobicContact CB-CG 4.35Å |
| 83 | Y | 92.1 | Very high | 90.2 | Very high | 5 Ų | 5 | 33.4 Ų | 33.4 | 2% | 0.02 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.6 | -40.5 | 177.2 | -71.5 | -53.6 | 0 | 0 | 0 | 112.6 | A79 G80 I81 F85 L86 M87 L109 A282 L283 | A79-Y83 HydrophobicContact CB-CD2 4.29Å; A79-Y83 HydrophobicContact CB-CE2 3.95Å; A79-Y83 WeakPolarHBondContact O-CD2 3.45Å; A79-Y83 PolarHBondContact O-N 3.47Å; G80-Y83 PolarHBondContact O-N 3.41Å; I81-Y83 PolarHBondContact O-N 2.97Å; Y83-F85 VanDerWaalsContact C-N 3.32Å; Y83-F85 PolarHBondContact O-N 2.94Å; Y83-L86 HydrophobicContact CD1-CD2 4.27Å; Y83-L86 WeakPolarHBondContact O-CB 3.42Å; Y83-L86 PolarHBondContact O-N 3.23Å; Y83-M87 WeakPolarHBondContact O-CB 3.45Å; Y83-M87 VanDerWaalsContact O-CG 3.23Å; Y83-M87 WeakPolarHBondContact O-CG 3.38Å; Y83-M87 PolarHBondContact O-N 3.12Å; Y83-L109 HydrophobicContact CD1-CD2 3.7Å; Y83-L109 HydrophobicContact CE1-CD2 3.72Å; Y83-L109 HydrophobicContact CG-CD2 4.43Å; Y83-A282 WeakPolarHBondContact OH-CB 3.47Å; Y83-A282 PolarHBondContact OH-O 3.26Å; Y83-L283 HydrophobicContact CD1-CD1 4.26Å; Y83-L283 HydrophobicContact CD2-CD1 3.53Å; Y83-L283 HydrophobicContact CE2-CD1 3.96Å; Y83-L283 HydrophobicContact CG-CD1 3.71Å |
| 84 | V | 90.9 | Very high | 89.9 | Confident | 41 Ų | 41 | 34 Ų | 34 | 25% | 0.248 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.2 | -47.4 | 173.4 | 169.9 | 0 | 0 | 0 | 0 | 110.4 | C41 F45 G80 I81 L86 M87 F88 | C41-V84 HydrophobicContact CB-CG2 3.61Å; F45-V84 HydrophobicContact CE2-CG2 3.85Å; F45-V84 HydrophobicContact CZ-CG2 4.2Å; G80-V84 WeakPolarHBondContact O-CG2 3.26Å; G80-V84 PolarHBondContact O-N 3.36Å; I81-V84 PolarHBondContact O-N 3.21Å; V84-L86 VanDerWaalsContact C-N 3.32Å; V84-L86 PolarHBondContact O-N 3.39Å; V84-M87 PolarHBondContact O-N 2.97Å; V84-F88 HydrophobicContact CG1-CD2 3.63Å; V84-F88 HydrophobicContact CG1-CE2 3.52Å; V84-F88 VanDerWaalsContact O-CD2 3.25Å; V84-F88 WeakPolarHBondContact O-CD2 3.46Å; V84-F88 PolarHBondContact O-N 3.13Å; V84-F88 VanDerWaalsContact O-N 3.1Å |
| 85 | F | 91.8 | Very high | 89.5 | Confident | 51 Ų | 51 | 38 Ų | 38 | 22% | 0.224 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.6 | -39.3 | 177 | -171.1 | -107.2 | 0 | 0 | 0 | 112.1 | I81 A82 Y83 N89 L104 R105 L108 | I81-F85 PolarHBondContact O-N 2.93Å; A82-F85 PolarHBondContact O-N 3.3Å; Y83-F85 VanDerWaalsContact C-N 3.32Å; Y83-F85 PolarHBondContact O-N 2.94Å; F85-N89 WeakPolarHBondContact CE2-ND2 3.49Å; F85-N89 WeakPolarHBondContact O-CB 3.31Å; F85-N89 PolarHBondContact O-N 3.3Å; F85-N89 PolarHBondContact O-ND2 3.38Å; F85-L104 HydrophobicContact CE1-CD2 4.46Å; F85-L104 HydrophobicContact CE1-CG 4.4Å; F85-L104 HydrophobicContact CZ-CD2 4.26Å; F85-R105 HydrophobicContact CD1-CB 3.84Å; F85-R105 HydrophobicContact CD1-CG 3.85Å; F85-R105 HydrophobicContact CE1-CB 3.6Å; F85-R105 HydrophobicContact CE1-CG 4.06Å; F85-L108 HydrophobicContact CD1-CD1 4.12Å; F85-L108 HydrophobicContact CG-CD1 4.48Å |
| 86 | L | 89.1 | Confident | 89.1 | Confident | 13 Ų | 13 | 42.2 Ų | 42.2 | 7% | 0.068 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.8 | -51.1 | 172.6 | 174.3 | 66.7 | 0 | 0 | 0 | 111.4 | A82 Y83 V84 F88 N89 T90 R105 L109 L279 | A82-L86 WeakPolarHBondContact O-CB 3.37Å; A82-L86 PolarHBondContact O-N 3.48Å; Y83-L86 HydrophobicContact CD1-CD2 4.27Å; Y83-L86 WeakPolarHBondContact O-CB 3.42Å; Y83-L86 PolarHBondContact O-N 3.23Å; V84-L86 VanDerWaalsContact C-N 3.32Å; V84-L86 PolarHBondContact O-N 3.39Å; L86-F88 PolarHBondContact O-N 3.44Å; L86-N89 CarbonylContact O-C 3.58Å; L86-N89 PolarHBondContact O-N 2.91Å; L86-N89 VanDerWaalsContact O-N 3.13Å; L86-T90 WeakPolarHBondContact O-CB 3.45Å; L86-T90 PolarHBondContact O-N 3.01Å; L86-T90 VanDerWaalsContact O-N 3.09Å; L86-T90 PolarHBondContact O-OG1 3.42Å; L86-R105 HydrophobicContact CB-CG 4.43Å; L86-R105 HydrophobicContact CD1-CG 4.13Å; L86-L109 HydrophobicContact CB-CD1 4.44Å; L86-L109 HydrophobicContact CD1-CD1 4.19Å; L86-L109 HydrophobicContact CD2-CD1 3.92Å; L86-L109 HydrophobicContact CD2-CD2 4.42Å; L86-L109 HydrophobicContact CG-CD1 4.4Å; L86-L279 HydrophobicContact CD2-CD2 4.11Å |
| 87 | M | 86.1 | Confident | 88.9 | Confident | 27 Ų | 27 | 42.5 Ų | 42.5 | 13% | 0.133 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.2 | -47.6 | -174.8 | -72.3 | -65.3 | 175.5 | 0 | 0 | 111.8 | V33 L34 Y83 V84 N89 T90 | V33-M87 HydrophobicContact CG1-CE 4.34Å; V33-M87 HydrophobicContact CG1-SD 3.94Å; L34-M87 HydrophobicContact CD2-CB 4.09Å; L34-M87 WeakPolarHBondContact CD2-O 3.23Å; Y83-M87 WeakPolarHBondContact O-CB 3.45Å; Y83-M87 VanDerWaalsContact O-CG 3.23Å; Y83-M87 WeakPolarHBondContact O-CG 3.38Å; Y83-M87 PolarHBondContact O-N 3.12Å; V84-M87 PolarHBondContact O-N 2.97Å; M87-N89 PolarHBondContact O-N 3.22Å; M87-T90 PolarHBondContact O-N 2.92Å |
| 88 | F | 86.3 | Confident | 88.9 | Confident | 145 Ų | 145 | 42.6 Ų | 42.6 | 64% | 0.636 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -65.3 | -22.6 | 177.6 | -77.1 | -63 | 0 | 0 | 0 | 114 | V84 L86 | V84-F88 HydrophobicContact CG1-CD2 3.63Å; V84-F88 HydrophobicContact CG1-CE2 3.52Å; V84-F88 VanDerWaalsContact O-CD2 3.25Å; V84-F88 WeakPolarHBondContact O-CD2 3.46Å; V84-F88 PolarHBondContact O-N 3.13Å; V84-F88 VanDerWaalsContact O-N 3.1Å; L86-F88 PolarHBondContact O-N 3.44Å |
| 89 | N | 87.9 | Confident | 88.7 | Confident | 13 Ų | 13 | 40.5 Ų | 40.5 | 7% | 0.07 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | 20.5 | -179.9 | -66.7 | -82.7 | 0 | 0 | 0 | 112.3 | F85 L86 M87 S94 L97 R105 | F85-N89 WeakPolarHBondContact CE2-ND2 3.49Å; F85-N89 WeakPolarHBondContact O-CB 3.31Å; F85-N89 PolarHBondContact O-N 3.3Å; F85-N89 PolarHBondContact O-ND2 3.38Å; L86-N89 CarbonylContact O-C 3.58Å; L86-N89 PolarHBondContact O-N 2.91Å; L86-N89 VanDerWaalsContact O-N 3.13Å; M87-N89 PolarHBondContact O-N 3.22Å; N89-S94 WeakPolarHBondContact O-CB 3.47Å; N89-L97 HydrophobicContact CB-CD1 4.09Å; N89-L97 HydrophobicContact CB-CD2 4.34Å; N89-R105 PolarHBondContact O-NH1 3.3Å |
| 90 | T | 83.6 | Confident | 88.6 | Confident | 24 Ų | 24 | 46 Ų | 46 | 15% | 0.147 | 25% | 0.248 | C | C | . | . | trans | -97.6 | 163.4 | 177.2 | -68.9 | 0 | 0 | 0 | 0 | 111.2 | W25 L86 M87 | W25-T90 HydrophobicContact CH2-CG2 3.37Å; W25-T90 HydrophobicContact CZ2-CG2 3.27Å; W25-T90 HydrophobicContact CZ3-CG2 4.08Å; L86-T90 WeakPolarHBondContact O-CB 3.45Å; L86-T90 PolarHBondContact O-N 3.01Å; L86-T90 VanDerWaalsContact O-N 3.09Å; L86-T90 PolarHBondContact O-OG1 3.42Å; M87-T90 PolarHBondContact O-N 2.92Å | ||
| 91 | G | 81.1 | Confident | 88.6 | Confident | 9 Ų | 9 | 52.7 Ų | 52.7 | 9% | 0.093 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.1 | -137.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | V93 S94 | G91-V93 PolarHBondContact O-N 3.44Å; G91-S94 VanDerWaalsContact O-CB 3.24Å; G91-S94 WeakPolarHBondContact O-CB 3.33Å; G91-S94 PolarHBondContact O-N 3.39Å |
| 92 | P | 79.4 | Confident | 88.6 | Confident | 82 Ų | 82 | 49 Ų | 49 | 53% | 0.532 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -32.7 | -175.6 | 24.5 | -32.7 | 0 | 0 | 0 | 112.5 | S94 K95 | P92-S94 PolarHBondContact O-N 2.93Å; P92-K95 PolarHBondContact O-N 3.49Å |
| 93 | V | 85.9 | Confident | 88.6 | Confident | 61 Ų | 61 | 49.2 Ų | 49.2 | 37% | 0.37 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.6 | -27.5 | 175.7 | -176.8 | 0 | 0 | 0 | 0 | 111.5 | G91 K95 T96 L97 | G91-V93 PolarHBondContact O-N 3.44Å; V93-K95 PolarHBondContact O-N 2.87Å; V93-K95 VanDerWaalsContact O-N 3.16Å; V93-T96 PolarHBondContact O-N 3.04Å; V93-T96 VanDerWaalsContact O-N 3.13Å; V93-T96 PolarHBondContact O-OG1 3.41Å; V93-L97 PolarHBondContact O-N 2.75Å |
| 94 | S | 86.4 | Confident | 88.7 | Confident | 11 Ų | 11 | 53.5 Ų | 53.5 | 8% | 0.077 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.3 | -26.7 | -178 | -167.1 | 0 | 0 | 0 | 0 | 113.2 | M10 Y14 N89 G91 P92 R105 | M10-S94 WeakPolarHBondContact CB-O 3.45Å; Y14-S94 PolarHBondContact OH-OG 2.86Å; Y14-S94 VanDerWaalsContact OH-OG 3.11Å; N89-S94 WeakPolarHBondContact O-CB 3.47Å; G91-S94 VanDerWaalsContact O-CB 3.24Å; G91-S94 WeakPolarHBondContact O-CB 3.33Å; G91-S94 PolarHBondContact O-N 3.39Å; P92-S94 PolarHBondContact O-N 2.93Å; S94-R105 PolarHBondContact OG-NH1 2.9Å |
| 95 | K | 85.1 | Confident | 88.8 | Confident | 116 Ų | 116 | 52 Ų | 52 | 50% | 0.504 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -82.1 | -23.8 | 179.5 | -65.9 | -176.6 | -179.3 | -178 | 0 | 112.7 | D11 Y14 P92 V93 | D11-K95 HydrophobicContact CB-CB 4.25Å; D11-K95 PolarHBondContact N-O 3.45Å; Y14-K95 HydrophobicContact CD2-CG 4.32Å; P92-K95 PolarHBondContact O-N 3.49Å; V93-K95 PolarHBondContact O-N 2.87Å; V93-K95 VanDerWaalsContact O-N 3.16Å |
| 96 | T | 87.7 | Confident | 88.8 | Confident | 88 Ų | 88 | 51.7 Ų | 51.7 | 54% | 0.54 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -88.9 | -8.9 | -177.9 | 63.5 | 0 | 0 | 0 | 0 | 113.3 | V93 | V93-T96 PolarHBondContact O-N 3.04Å; V93-T96 VanDerWaalsContact O-N 3.13Å; V93-T96 PolarHBondContact O-OG1 3.41Å |
| 97 | L | 89.9 | Confident | 89 | Confident | 6 Ų | 6 | 51.4 Ų | 51.4 | 3% | 0.031 | 27% | 0.267 | C | S | . | . | trans | -61 | 145.9 | 177.4 | -74.9 | 158.3 | 0 | 0 | 0 | 112.6 | M10 N89 V93 R101 | M10-L97 HydrophobicContact CB-CB 4.4Å; M10-L97 WeakPolarHBondContact CB-O 3.41Å; M10-L97 HydrophobicContact CG-CB 4.03Å; M10-L97 WeakPolarHBondContact CG-O 3.24Å; M10-L97 PolarHBondContact N-O 3.43Å; M10-L97 VanDerWaalsContact N-O 3.13Å; N89-L97 HydrophobicContact CB-CD1 4.09Å; N89-L97 HydrophobicContact CB-CD2 4.34Å; V93-L97 PolarHBondContact O-N 2.75Å; L97-R101 HydrophobicContact CD2-CB 3.64Å; L97-R101 HydrophobicContact CD2-CG 4.46Å | ||
| 98 | T | 93.4 | Very high | 89.4 | Confident | 72 Ų | 72 | 51.9 Ų | 51.9 | 44% | 0.442 | 27% | 0.269 | S | S | . | . | B | Isolated β-bridge | trans | -76 | 157.9 | 164.6 | 61.1 | 0 | 0 | 0 | 0 | 110.7 | N100 R101 W102 | T98-N100 VanDerWaalsContact C-N 3.29Å; T98-N100 PolarHBondContact O-N 3.24Å; T98-R101 PolarHBondContact O-N 3.45Å; T98-R101 PolarHBondContact OG1-N 3.04Å; T98-W102 PolarHBondContact O-N 3.16Å; T98-W102 VanDerWaalsContact O-N 3.08Å |
| 99 | V | 92.4 | Very high | 89.7 | Confident | 4 Ų | 4 | 45.6 Ų | 45.6 | 2% | 0.024 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -52.6 | -47.1 | 176.7 | 173.3 | 0 | 0 | 0 | 0 | 111.5 | R8 M10 F13 R101 W102 F103 L170 I182 | R8-V99 WeakPolarHBondContact O-CG2 3.34Å; M10-V99 HydrophobicContact CE-CG2 4.49Å; F13-V99 HydrophobicContact CE2-CG2 3.81Å; F13-V99 HydrophobicContact CZ-CG2 4.36Å; V99-R101 PolarHBondContact O-N 2.93Å; V99-W102 PolarHBondContact O-N 3.48Å; V99-F103 HydrophobicContact CG1-CD2 3.66Å; V99-F103 HydrophobicContact CG1-CE2 3.42Å; V99-F103 VanDerWaalsContact CG1-CE2 3.42Å; V99-F103 HydrophobicContact CG1-CZ 4.47Å; V99-F103 WeakPolarHBondContact O-CD2 3.36Å; V99-F103 PolarHBondContact O-N 2.91Å; V99-L170 HydrophobicContact CG1-CD1 3.85Å; V99-L170 HydrophobicContact CG1-CD2 4.09Å; V99-L170 HydrophobicContact CG2-CD2 4.45Å; V99-I182 HydrophobicContact CG1-CD1 4.47Å |
| 100 | N | 92.7 | Very high | 90 | Very high | 117 Ų | 117 | 45.6 Ų | 45.6 | 63% | 0.626 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -63.9 | -41.4 | -179.5 | -66.9 | -20.3 | 0 | 0 | 0 | 113.3 | T98 W102 F103 L104 | T98-N100 VanDerWaalsContact C-N 3.29Å; T98-N100 PolarHBondContact O-N 3.24Å; N100-W102 VanDerWaalsContact C-N 3.31Å; N100-W102 PolarHBondContact O-N 3.38Å; N100-F103 PolarHBondContact O-N 3.42Å; N100-L104 WeakPolarHBondContact O-CB 3.25Å; N100-L104 PolarHBondContact O-N 2.89Å |
| 101 | R | 92.8 | Very high | 90.6 | Very high | 141 Ų | 141 | 45 Ų | 45 | 53% | 0.532 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -66.8 | -35.5 | 177 | -86.3 | -173.4 | 170 | -140.6 | 0.6 | 112 | L97 T98 V99 L104 R105 | L97-R101 HydrophobicContact CD2-CB 3.64Å; L97-R101 HydrophobicContact CD2-CG 4.46Å; T98-R101 PolarHBondContact O-N 3.45Å; T98-R101 PolarHBondContact OG1-N 3.04Å; V99-R101 PolarHBondContact O-N 2.93Å; R101-L104 PolarHBondContact O-N 2.82Å; R101-R105 WeakPolarHBondContact O-CB 2.9Å; R101-R105 PolarHBondContact O-N 3.4Å |
| 102 | W | 92.5 | Very high | 91.2 | Very high | 3 Ų | 3 | 44.7 Ų | 44.7 | 1% | 0.011 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.3 | -43.6 | 175.3 | -166.1 | 110.9 | 0 | 0 | 0 | 111.2 | M10 Y14 T98 V99 N100 L104 R105 Q106 A180 I182 Y183 | M10-W102 HydrophobicContact CE-CB 3.25Å; M10-W102 HydrophobicContact CE-CD2 3.76Å; M10-W102 HydrophobicContact CE-CE3 4.44Å; M10-W102 HydrophobicContact CE-CG 3.23Å; M10-W102 HydrophobicContact CG-CB 4.17Å; M10-W102 HydrophobicContact CG-CG 4.18Å; M10-W102 HydrophobicContact SD-CB 4.17Å; M10-W102 HydrophobicContact SD-CD2 4.35Å; M10-W102 HydrophobicContact SD-CG 3.75Å; Y14-W102 AromaticContact CZ-NE1 3.87Å; Y14-W102 PolarHBondContact OH-NE1 3.33Å; T98-W102 PolarHBondContact O-N 3.16Å; T98-W102 VanDerWaalsContact O-N 3.08Å; V99-W102 PolarHBondContact O-N 3.48Å; N100-W102 VanDerWaalsContact C-N 3.31Å; N100-W102 PolarHBondContact O-N 3.38Å; W102-L104 VanDerWaalsContact C-N 3.31Å; W102-L104 PolarHBondContact O-N 3.18Å; W102-R105 WeakPolarHBondContact O-CB 3.23Å; W102-R105 PolarHBondContact O-N 3.41Å; W102-R105 VanDerWaalsContact O-N 3.13Å; W102-Q106 HydrophobicContact CE3-CB 3.97Å; W102-Q106 HydrophobicContact CH2-CB 4.15Å; W102-Q106 HydrophobicContact CH2-CG 4.15Å; W102-Q106 HydrophobicContact CZ3-CB 3.59Å; W102-Q106 HydrophobicContact CZ3-CG 3.93Å; W102-Q106 PolarHBondContact O-N 2.92Å; W102-A180 HydrophobicContact CH2-CB 3.77Å; W102-A180 HydrophobicContact CZ2-CB 4.34Å; W102-I182 HydrophobicContact CB-CD1 4.44Å; W102-I182 HydrophobicContact CD2-CD1 3.77Å; W102-I182 HydrophobicContact CD2-CG1 3.88Å; W102-I182 HydrophobicContact CE3-CD1 3.11Å; W102-I182 HydrophobicContact CE3-CG1 3.33Å; W102-I182 HydrophobicContact CG-CD1 4.37Å; W102-I182 HydrophobicContact CH2-CG1 3.89Å; W102-I182 HydrophobicContact CZ2-CG1 4.35Å; W102-I182 HydrophobicContact CZ3-CD1 3.59Å; W102-I182 HydrophobicContact CZ3-CG1 3.34Å; W102-Y183 HydrophobicContact CE3-CE1 4.44Å; W102-Y183 HydrophobicContact CH2-CD1 4.21Å; W102-Y183 HydrophobicContact CH2-CE1 4.32Å; W102-Y183 AromaticContact CZ3-CD1 3.73Å; W102-Y183 HydrophobicContact CZ3-CD1 3.73Å; W102-Y183 AromaticContact CZ3-CE1 3.53Å; W102-Y183 HydrophobicContact CZ3-CE1 3.53Å |
| 103 | F | 93.7 | Very high | 91.8 | Very high | 5 Ų | 5 | 41.1 Ų | 41.1 | 2% | 0.022 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.4 | -43.9 | 173.3 | -85.4 | -55.9 | 0 | 0 | 0 | 111.8 | V99 N100 R105 Q106 G107 P163 N168 L170 I182 Y183 | V99-F103 HydrophobicContact CG1-CD2 3.66Å; V99-F103 HydrophobicContact CG1-CE2 3.42Å; V99-F103 VanDerWaalsContact CG1-CE2 3.42Å; V99-F103 HydrophobicContact CG1-CZ 4.47Å; V99-F103 WeakPolarHBondContact O-CD2 3.36Å; V99-F103 PolarHBondContact O-N 2.91Å; N100-F103 PolarHBondContact O-N 3.42Å; F103-R105 VanDerWaalsContact C-N 3.33Å; F103-R105 PolarHBondContact O-N 2.99Å; F103-Q106 PolarHBondContact O-N 3.39Å; F103-G107 WeakPolarHBondContact O-CA 3.24Å; F103-G107 PolarHBondContact O-N 3.06Å; F103-P163 HydrophobicContact CD1-CB 4.29Å; F103-P163 HydrophobicContact CE1-CB 3.91Å; F103-N168 HydrophobicContact CE1-CB 4.14Å; F103-N168 HydrophobicContact CZ-CB 3.71Å; F103-L170 HydrophobicContact CE2-CD1 3.89Å; F103-L170 HydrophobicContact CZ-CD1 4.13Å; F103-I182 HydrophobicContact CD1-CD1 3.58Å; F103-I182 HydrophobicContact CD2-CD1 3.85Å; F103-I182 HydrophobicContact CE1-CD1 3.4Å; F103-I182 VanDerWaalsContact CE1-CD1 3.4Å; F103-I182 HydrophobicContact CE1-CG1 4.19Å; F103-I182 HydrophobicContact CE2-CD1 3.73Å; F103-I182 HydrophobicContact CG-CD1 3.77Å; F103-I182 HydrophobicContact CZ-CD1 3.47Å; F103-I182 VanDerWaalsContact CZ-CD1 3.47Å; F103-I182 HydrophobicContact CZ-CG1 4.34Å; F103-Y183 AromaticContact CD1-CE1 3.79Å; F103-Y183 HydrophobicContact CD1-CE1 3.79Å; F103-Y183 HydrophobicContact CE1-CD1 4.1Å; F103-Y183 AromaticContact CE1-CE1 3.72Å; F103-Y183 HydrophobicContact CE1-CE1 3.72Å |
| 104 | L | 94.1 | Very high | 92.2 | Very high | 94 Ų | 94 | 38.6 Ų | 38.6 | 49% | 0.492 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -59.1 | -46.8 | 174.2 | -177.9 | 64.7 | 0 | 0 | 0 | 110.7 | F85 N100 R101 W102 Q106 G107 L108 | F85-L104 HydrophobicContact CE1-CD2 4.46Å; F85-L104 HydrophobicContact CE1-CG 4.4Å; F85-L104 HydrophobicContact CZ-CD2 4.26Å; N100-L104 WeakPolarHBondContact O-CB 3.25Å; N100-L104 PolarHBondContact O-N 2.89Å; R101-L104 PolarHBondContact O-N 2.82Å; W102-L104 VanDerWaalsContact C-N 3.31Å; W102-L104 PolarHBondContact O-N 3.18Å; L104-Q106 PolarHBondContact O-N 2.86Å; L104-G107 PolarHBondContact O-N 2.61Å; L104-L108 HydrophobicContact CD1-CD1 4.28Å; L104-L108 HydrophobicContact CD1-CD2 4.47Å; L104-L108 HydrophobicContact CD1-CG 4.18Å; L104-L108 HydrophobicContact CG-CD1 4.18Å; L104-L108 HydrophobicContact CG-CG 4.47Å; L104-L108 WeakPolarHBondContact O-CB 3.3Å; L104-L108 WeakPolarHBondContact O-CG 3.16Å; L104-L108 PolarHBondContact O-N 3.45Å |
| 105 | R | 93 | Very high | 92.6 | Very high | 10 Ų | 10 | 38.1 Ų | 38.1 | 4% | 0.038 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56.8 | -49.8 | 179.1 | -169.6 | -176.5 | 70.3 | 177.3 | -1.6 | 112.2 | F85 L86 N89 S94 R101 W102 F103 | F85-R105 HydrophobicContact CD1-CB 3.84Å; F85-R105 HydrophobicContact CD1-CG 3.85Å; F85-R105 HydrophobicContact CE1-CB 3.6Å; F85-R105 HydrophobicContact CE1-CG 4.06Å; L86-R105 HydrophobicContact CB-CG 4.43Å; L86-R105 HydrophobicContact CD1-CG 4.13Å; N89-R105 PolarHBondContact O-NH1 3.3Å; S94-R105 PolarHBondContact OG-NH1 2.9Å; R101-R105 WeakPolarHBondContact O-CB 2.9Å; R101-R105 PolarHBondContact O-N 3.4Å; W102-R105 WeakPolarHBondContact O-CB 3.23Å; W102-R105 PolarHBondContact O-N 3.41Å; W102-R105 VanDerWaalsContact O-N 3.13Å; F103-R105 VanDerWaalsContact C-N 3.33Å; F103-R105 PolarHBondContact O-N 2.99Å |
| 106 | Q | 91.5 | Very high | 93 | Very high | 45 Ų | 45 | 32.7 Ų | 32.7 | 21% | 0.21 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -75 | -40.7 | -178.1 | -169.4 | 58.8 | 47 | 0 | 0 | 111.9 | W102 F103 L104 L108 L109 D110 Y183 | W102-Q106 HydrophobicContact CE3-CB 3.97Å; W102-Q106 HydrophobicContact CH2-CB 4.15Å; W102-Q106 HydrophobicContact CH2-CG 4.15Å; W102-Q106 HydrophobicContact CZ3-CB 3.59Å; W102-Q106 HydrophobicContact CZ3-CG 3.93Å; W102-Q106 PolarHBondContact O-N 2.92Å; F103-Q106 PolarHBondContact O-N 3.39Å; L104-Q106 PolarHBondContact O-N 2.86Å; Q106-L108 VanDerWaalsContact C-N 3.31Å; Q106-L108 PolarHBondContact O-N 2.98Å; Q106-L109 WeakPolarHBondContact O-CB 3.21Å; Q106-L109 PolarHBondContact O-N 3.47Å; Q106-D110 PolarHBondContact NE2-OD1 3.25Å; Q106-D110 PolarHBondContact O-N 3.49Å; Q106-Y183 HydrophobicContact CG-CE1 4.25Å; Q106-Y183 HydrophobicContact CG-CE2 3.75Å; Q106-Y183 VanDerWaalsContact CG-CZ 3.49Å; Q106-Y183 VanDerWaalsContact CG-OH 3.24Å; Q106-Y183 WeakPolarHBondContact CG-OH 3.45Å |
| 107 | G | 93.9 | Very high | 93.2 | Very high | 7 Ų | 7 | 28.7 Ų | 28.7 | 7% | 0.072 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.8 | -33.9 | 179 | 0 | 0 | 0 | 0 | 0 | 113.2 | F103 L104 D110 T111 | F103-G107 WeakPolarHBondContact O-CA 3.24Å; F103-G107 PolarHBondContact O-N 3.06Å; L104-G107 PolarHBondContact O-N 2.61Å; G107-D110 PolarHBondContact O-N 2.94Å; G107-T111 WeakPolarHBondContact O-CB 3.09Å; G107-T111 PolarHBondContact O-N 3.46Å; G107-T111 PolarHBondContact O-OG1 3.47Å |
| 108 | L | 94.9 | Very high | 93.4 | Very high | 36 Ų | 36 | 29.9 Ų | 29.9 | 19% | 0.188 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.7 | -40.6 | 172 | -71 | 172.7 | 0 | 0 | 0 | 111.7 | F78 A82 F85 L104 Q106 S112 | F78-L108 HydrophobicContact CE1-CD2 4.47Å; F78-L108 WeakPolarHBondContact CE1-O 2.86Å; F78-L108 HydrophobicContact CE2-CD2 3.96Å; F78-L108 HydrophobicContact CZ-CD2 3.5Å; A82-L108 HydrophobicContact CB-CB 3.69Å; F85-L108 HydrophobicContact CD1-CD1 4.12Å; F85-L108 HydrophobicContact CG-CD1 4.48Å; L104-L108 HydrophobicContact CD1-CD1 4.28Å; L104-L108 HydrophobicContact CD1-CD2 4.47Å; L104-L108 HydrophobicContact CD1-CG 4.18Å; L104-L108 HydrophobicContact CG-CD1 4.18Å; L104-L108 HydrophobicContact CG-CG 4.47Å; L104-L108 WeakPolarHBondContact O-CB 3.3Å; L104-L108 WeakPolarHBondContact O-CG 3.16Å; L104-L108 PolarHBondContact O-N 3.45Å; Q106-L108 VanDerWaalsContact C-N 3.31Å; Q106-L108 PolarHBondContact O-N 2.98Å; L108-S112 WeakPolarHBondContact O-CB 3.29Å; L108-S112 PolarHBondContact O-N 3.09Å; L108-S112 PolarHBondContact O-OG 2.95Å |
| 109 | L | 92.6 | Very high | 93.3 | Very high | 14 Ų | 14 | 26.4 Ų | 26.4 | 7% | 0.073 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -66.1 | -48.7 | 176 | -63.3 | 168.6 | 0 | 0 | 0 | 110.3 | A82 Y83 L86 Q106 T111 S112 L113 | A82-L109 HydrophobicContact CB-CD2 3.82Å; A82-L109 HydrophobicContact CB-CG 4.35Å; Y83-L109 HydrophobicContact CD1-CD2 3.7Å; Y83-L109 HydrophobicContact CE1-CD2 3.72Å; Y83-L109 HydrophobicContact CG-CD2 4.43Å; L86-L109 HydrophobicContact CB-CD1 4.44Å; L86-L109 HydrophobicContact CD1-CD1 4.19Å; L86-L109 HydrophobicContact CD2-CD1 3.92Å; L86-L109 HydrophobicContact CD2-CD2 4.42Å; L86-L109 HydrophobicContact CG-CD1 4.4Å; Q106-L109 WeakPolarHBondContact O-CB 3.21Å; Q106-L109 PolarHBondContact O-N 3.47Å; L109-T111 VanDerWaalsContact C-N 3.33Å; L109-T111 PolarHBondContact O-N 2.95Å; L109-S112 PolarHBondContact O-N 3.34Å; L109-S112 PolarHBondContact O-OG 3.41Å; L109-L113 WeakPolarHBondContact O-CB 3.4Å; L109-L113 PolarHBondContact O-N 2.92Å |
| 110 | D | 93 | Very high | 93.1 | Very high | 12 Ų | 12 | 26.4 Ų | 26.4 | 6% | 0.064 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.6 | -39 | -179.3 | -66 | 2.9 | 0 | 0 | 0 | 111.8 | Q106 G107 T114 Y183 W191 | Q106-D110 PolarHBondContact NE2-OD1 3.25Å; Q106-D110 PolarHBondContact O-N 3.49Å; G107-D110 PolarHBondContact O-N 2.94Å; D110-T114 WeakPolarHBondContact O-CB 3.37Å; D110-T114 PolarHBondContact O-N 3.47Å; D110-T114 PolarHBondContact O-OG1 2.93Å; D110-Y183 WeakPolarHBondContact OD2-CE2 3.43Å; D110-Y183 PolarHBondContact OD2-OH 2.95Å; D110-W191 HydrophobicContact CB-CH2 4.11Å; D110-W191 HydrophobicContact CB-CZ2 4.07Å |
| 111 | T | 95.6 | Very high | 92.9 | Very high | 12 Ų | 12 | 23.3 Ų | 23.3 | 7% | 0.074 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.6 | -48.4 | 173.5 | -60.6 | 0 | 0 | 0 | 0 | 110.6 | F78 G107 L109 L113 T114 A115 A156 I157 | F78-T111 HydrophobicContact CE1-CG2 3.71Å; F78-T111 HydrophobicContact CZ-CG2 4.07Å; G107-T111 WeakPolarHBondContact O-CB 3.09Å; G107-T111 PolarHBondContact O-N 3.46Å; G107-T111 PolarHBondContact O-OG1 3.47Å; L109-T111 VanDerWaalsContact C-N 3.33Å; L109-T111 PolarHBondContact O-N 2.95Å; T111-L113 PolarHBondContact O-N 3.43Å; T111-T114 PolarHBondContact O-N 3.39Å; T111-A115 WeakPolarHBondContact O-CB 3.2Å; T111-A115 PolarHBondContact O-N 2.96Å; T111-A156 HydrophobicContact CG2-CB 4.07Å; T111-I157 HydrophobicContact CG2-CG1 4.08Å |
| 112 | S | 94.5 | Very high | 92.7 | Very high | 2 Ų | 2 | 17.8 Ų | 17.8 | 1% | 0.014 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -64 | -42.6 | -178.9 | 68.1 | 0 | 0 | 0 | 0 | 112.4 | L108 L109 A115 S116 | L108-S112 WeakPolarHBondContact O-CB 3.29Å; L108-S112 PolarHBondContact O-N 3.09Å; L108-S112 PolarHBondContact O-OG 2.95Å; L109-S112 PolarHBondContact O-N 3.34Å; L109-S112 PolarHBondContact O-OG 3.41Å; S112-A115 PolarHBondContact O-N 3Å; S112-S116 PolarHBondContact O-N 3.47Å; S112-S116 VanDerWaalsContact O-N 3.07Å; S112-S116 PolarHBondContact O-OG 2.9Å |
| 113 | L | 91.9 | Very high | 92.4 | Very high | 8 Ų | 8 | 17.9 Ų | 17.9 | 4% | 0.042 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -56.9 | -50.7 | 172.7 | 171.4 | 57.3 | 0 | 0 | 0 | 110.8 | L109 T111 A115 S116 L117 W191 F248 W252 | L109-L113 WeakPolarHBondContact O-CB 3.4Å; L109-L113 PolarHBondContact O-N 2.92Å; T111-L113 PolarHBondContact O-N 3.43Å; L113-A115 PolarHBondContact O-N 2.97Å; L113-S116 PolarHBondContact O-N 3.03Å; L113-L117 HydrophobicContact CD1-CD1 3.67Å; L113-L117 HydrophobicContact CD1-CG 4.02Å; L113-L117 HydrophobicContact CG-CD1 3.75Å; L113-L117 WeakPolarHBondContact O-CB 3.35Å; L113-L117 WeakPolarHBondContact O-CD1 3.18Å; L113-L117 VanDerWaalsContact O-CG 3.24Å; L113-L117 WeakPolarHBondContact O-CG 3.49Å; L113-L117 PolarHBondContact O-N 3.03Å; L113-W191 HydrophobicContact CD2-CZ2 4.28Å; L113-F248 HydrophobicContact CD1-CE1 4.29Å; L113-F248 HydrophobicContact CD1-CZ 3.81Å; L113-W252 HydrophobicContact CB-CH2 4.15Å; L113-W252 HydrophobicContact CB-CZ3 4.48Å; L113-W252 HydrophobicContact CD1-CD2 3.58Å; L113-W252 HydrophobicContact CD1-CE3 3.67Å; L113-W252 HydrophobicContact CD1-CG 4.18Å; L113-W252 HydrophobicContact CD1-CH2 3.88Å; L113-W252 HydrophobicContact CD1-CZ2 3.81Å; L113-W252 HydrophobicContact CD1-CZ3 3.83Å; L113-W252 HydrophobicContact CD2-CE3 4.01Å; L113-W252 HydrophobicContact CD2-CH2 4.25Å; L113-W252 HydrophobicContact CD2-CZ3 3.74Å; L113-W252 HydrophobicContact CG-CE3 4.44Å; L113-W252 HydrophobicContact CG-CH2 4.31Å; L113-W252 HydrophobicContact CG-CZ3 4.22Å |
| 114 | T | 94.2 | Very high | 91.8 | Very high | 8 Ų | 8 | 17.7 Ų | 17.7 | 5% | 0.049 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -64.8 | -40.6 | -178.8 | -53.4 | 0 | 0 | 0 | 0 | 112.1 | D110 T111 S116 L117 V118 I155 A156 M159 W191 | D110-T114 WeakPolarHBondContact O-CB 3.37Å; D110-T114 PolarHBondContact O-N 3.47Å; D110-T114 PolarHBondContact O-OG1 2.93Å; T111-T114 PolarHBondContact O-N 3.39Å; T114-S116 PolarHBondContact O-N 3.03Å; T114-L117 PolarHBondContact O-N 3.19Å; T114-V118 HydrophobicContact CG2-CG2 3.98Å; T114-V118 VanDerWaalsContact O-CG2 3.31Å; T114-V118 WeakPolarHBondContact O-CG2 3.48Å; T114-V118 PolarHBondContact O-N 3.15Å; T114-I155 HydrophobicContact CG2-CG2 4.29Å; T114-A156 HydrophobicContact CG2-CB 4.2Å; T114-M159 HydrophobicContact CG2-CB 3.98Å; T114-M159 HydrophobicContact CG2-CG 4.12Å; T114-W191 WeakPolarHBondContact OG1-CH2 3.24Å; T114-W191 WeakPolarHBondContact OG1-CZ2 3.47Å |
| 115 | A | 95.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -59.7 | -48.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111 | A75 T111 S112 L113 N119 I152 W153 A156 | A75-A115 HydrophobicContact CB-CB 3.91Å; T111-A115 WeakPolarHBondContact O-CB 3.2Å; T111-A115 PolarHBondContact O-N 2.96Å; S112-A115 PolarHBondContact O-N 3Å; L113-A115 PolarHBondContact O-N 2.97Å; A115-N119 WeakPolarHBondContact O-CB 3.48Å; A115-N119 PolarHBondContact O-N 3.31Å; A115-I152 WeakPolarHBondContact O-CG2 3.13Å; A115-W153 HydrophobicContact CB-CZ3 4.4Å; A115-A156 HydrophobicContact CB-CB 3.73Å |
| 116 | S | 93.6 | Very high | 90.7 | Very high | 3 Ų | 3 | 17.1 Ų | 17.1 | 2% | 0.021 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63.8 | -42.8 | 177.1 | -67.6 | 0 | 0 | 0 | 0 | 112 | A75 S112 L113 T114 N119 L120 | A75-S116 WeakPolarHBondContact CB-OG 2.92Å; S112-S116 PolarHBondContact O-N 3.47Å; S112-S116 VanDerWaalsContact O-N 3.07Å; S112-S116 PolarHBondContact O-OG 2.9Å; L113-S116 PolarHBondContact O-N 3.03Å; T114-S116 PolarHBondContact O-N 3.03Å; S116-N119 PolarHBondContact O-N 2.94Å; S116-L120 WeakPolarHBondContact O-CB 3.36Å; S116-L120 WeakPolarHBondContact O-CG 3.32Å; S116-L120 PolarHBondContact O-N 2.93Å |
| 117 | L | 92.1 | Very high | 89.9 | Confident | 4 Ų | 4 | 16.1 Ų | 16.1 | 2% | 0.021 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60 | -55.3 | 177.4 | -82.1 | 166.7 | 0 | 0 | 0 | 113.7 | L113 T114 N119 L120 L121 N195 F199 M202 F248 | L113-L117 HydrophobicContact CD1-CD1 3.67Å; L113-L117 HydrophobicContact CD1-CG 4.02Å; L113-L117 HydrophobicContact CG-CD1 3.75Å; L113-L117 WeakPolarHBondContact O-CB 3.35Å; L113-L117 WeakPolarHBondContact O-CD1 3.18Å; L113-L117 VanDerWaalsContact O-CG 3.24Å; L113-L117 WeakPolarHBondContact O-CG 3.49Å; L113-L117 PolarHBondContact O-N 3.03Å; T114-L117 PolarHBondContact O-N 3.19Å; L117-N119 PolarHBondContact O-N 3.39Å; L117-L120 PolarHBondContact O-N 3.09Å; L117-L121 PolarHBondContact O-N 3.43Å; L117-N195 WeakPolarHBondContact CD1-OD1 3.41Å; L117-F199 HydrophobicContact CD2-CD1 3.89Å; L117-F199 HydrophobicContact CD2-CE1 3.17Å; L117-F199 HydrophobicContact CD2-CZ 3.89Å; L117-M202 HydrophobicContact CD2-CE 4.45Å; L117-M202 VanDerWaalsContact O-CE 3.23Å; L117-M202 WeakPolarHBondContact O-CE 3.47Å; L117-F248 HydrophobicContact CD2-CD1 4.24Å; L117-F248 HydrophobicContact CD2-CE1 3.34Å; L117-F248 HydrophobicContact CD2-CZ 3.96Å; L117-F248 HydrophobicContact CG-CE1 3.7Å; L117-F248 HydrophobicContact CG-CZ 3.77Å |
| 118 | V | 92.7 | Very high | 89 | Confident | 30 Ų | 30 | 18.7 Ų | 18.7 | 18% | 0.182 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65.5 | -35.6 | -177.8 | -178.3 | 0 | 0 | 0 | 0 | 109.4 | T114 L121 V122 I152 I155 | T114-V118 HydrophobicContact CG2-CG2 3.98Å; T114-V118 VanDerWaalsContact O-CG2 3.31Å; T114-V118 WeakPolarHBondContact O-CG2 3.48Å; T114-V118 PolarHBondContact O-N 3.15Å; V118-L121 WeakPolarHBondContact O-CB 3.38Å; V118-L121 PolarHBondContact O-N 2.99Å; V118-V122 VanDerWaalsContact O-CG2 3.3Å; V118-V122 WeakPolarHBondContact O-CG2 3.37Å; V118-V122 PolarHBondContact O-N 3.5Å; V118-I152 HydrophobicContact CB-CG1 4.41Å; V118-I152 HydrophobicContact CB-CG2 4.42Å; V118-I152 HydrophobicContact CG1-CB 4.48Å; V118-I152 HydrophobicContact CG1-CG1 3.85Å; V118-I155 HydrophobicContact CG1-CD1 4.42Å; V118-I155 HydrophobicContact CG2-CG2 4.1Å |
| 119 | N | 92.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.2 | -43.7 | 175.2 | -165.5 | 25.1 | 0 | 0 | 0 | 112.5 | L68 N71 L72 A115 S116 L117 L121 V122 I123 I152 | L68-N119 PolarHBondContact O-ND2 3.46Å; N71-N119 VanDerWaalsContact C-ND2 3.34Å; N71-N119 PolarHBondContact ND2-ND2 2.93Å; L72-N119 WeakPolarHBondContact CA-ND2 3.43Å; L72-N119 VanDerWaalsContact CB-ND2 3.27Å; L72-N119 WeakPolarHBondContact CB-ND2 3.39Å; L72-N119 PolarHBondContact N-ND2 2.9Å; A115-N119 WeakPolarHBondContact O-CB 3.48Å; A115-N119 PolarHBondContact O-N 3.31Å; S116-N119 PolarHBondContact O-N 2.94Å; L117-N119 PolarHBondContact O-N 3.39Å; N119-L121 VanDerWaalsContact C-N 3.3Å; N119-L121 PolarHBondContact O-N 3.14Å; N119-V122 PolarHBondContact O-N 3.31Å; N119-I123 VanDerWaalsContact O-CG1 3.3Å; N119-I123 WeakPolarHBondContact O-CG1 3.26Å; N119-I123 PolarHBondContact O-N 3.13Å; N119-I152 HydrophobicContact CB-CD1 4.05Å; N119-I152 HydrophobicContact CB-CG2 4.29Å |
| 120 | L | 88.3 | Confident | 87.1 | Confident | 3 Ų | 3 | 21 Ų | 21 | 2% | 0.016 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.2 | -38.2 | 173.9 | -77.3 | 175.9 | 0 | 0 | 0 | 112.1 | L72 S116 L117 I123 A124 M202 L245 F248 | L72-L120 HydrophobicContact CD1-CD2 4.38Å; L72-L120 HydrophobicContact CD1-CG 4.22Å; L72-L120 HydrophobicContact CD2-CD2 3.61Å; L72-L120 HydrophobicContact CD2-CG 4.34Å; S116-L120 WeakPolarHBondContact O-CB 3.36Å; S116-L120 WeakPolarHBondContact O-CG 3.32Å; S116-L120 PolarHBondContact O-N 2.93Å; L117-L120 PolarHBondContact O-N 3.09Å; L120-I123 PolarHBondContact O-N 3.37Å; L120-A124 WeakPolarHBondContact O-CB 3.26Å; L120-A124 PolarHBondContact O-N 3.44Å; L120-M202 HydrophobicContact CB-CE 4.02Å; L120-M202 HydrophobicContact CB-SD 4.25Å; L120-L245 HydrophobicContact CB-CD2 3.56Å; L120-L245 HydrophobicContact CD1-CD2 4.11Å; L120-L245 HydrophobicContact CD2-CD2 3.54Å; L120-L245 HydrophobicContact CD2-CG 3.93Å; L120-L245 HydrophobicContact CG-CD2 3.9Å; L120-F248 HydrophobicContact CD1-CB 3.81Å; L120-F248 HydrophobicContact CD1-CD1 3.91Å; L120-F248 HydrophobicContact CD1-CD2 3.39Å; L120-F248 HydrophobicContact CD1-CE1 4.35Å; L120-F248 HydrophobicContact CD1-CE2 3.89Å; L120-F248 HydrophobicContact CD1-CG 3.4Å; L120-F248 VanDerWaalsContact CD1-CG 3.4Å; L120-F248 HydrophobicContact CD1-CZ 4.33Å |
| 121 | L | 88.9 | Confident | 85.9 | Confident | 52 Ų | 52 | 20.9 Ų | 20.9 | 27% | 0.272 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -64.8 | -44.4 | 174.8 | -176.8 | 62.4 | 0 | 0 | 0 | 111.3 | L117 V118 N119 I123 A124 V125 M202 | L117-L121 PolarHBondContact O-N 3.43Å; V118-L121 WeakPolarHBondContact O-CB 3.38Å; V118-L121 PolarHBondContact O-N 2.99Å; N119-L121 VanDerWaalsContact C-N 3.3Å; N119-L121 PolarHBondContact O-N 3.14Å; L121-I123 VanDerWaalsContact C-N 3.33Å; L121-I123 PolarHBondContact O-N 3.06Å; L121-A124 WeakPolarHBondContact O-CA 3.5Å; L121-A124 VanDerWaalsContact O-CB 3.26Å; L121-A124 WeakPolarHBondContact O-CB 3.28Å; L121-A124 PolarHBondContact O-N 3.3Å; L121-A124 VanDerWaalsContact O-N 3.12Å; L121-V125 WeakPolarHBondContact O-CG2 3.36Å; L121-V125 PolarHBondContact O-N 3.41Å; L121-M202 HydrophobicContact CB-CE 3.69Å; L121-M202 HydrophobicContact CD1-CE 4.41Å; L121-M202 HydrophobicContact CD1-CG 4.15Å |
| 122 | V | 88.3 | Confident | 84.7 | Confident | 26 Ų | 26 | 24.1 Ų | 24.1 | 16% | 0.158 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.7 | -41.9 | 176.5 | 170.5 | 0 | 0 | 0 | 0 | 110.6 | L68 V118 N119 A124 V125 E126 L148 I152 | L68-V122 HydrophobicContact CD1-CG1 3.96Å; L68-V122 HydrophobicContact CD2-CG1 3.87Å; V118-V122 VanDerWaalsContact O-CG2 3.3Å; V118-V122 WeakPolarHBondContact O-CG2 3.37Å; V118-V122 PolarHBondContact O-N 3.5Å; N119-V122 PolarHBondContact O-N 3.31Å; V122-A124 VanDerWaalsContact C-N 3.3Å; V122-A124 PolarHBondContact O-N 2.81Å; V122-V125 PolarHBondContact O-N 3.45Å; V122-E126 VanDerWaalsContact O-CB 3.3Å; V122-E126 WeakPolarHBondContact O-CB 3.34Å; V122-E126 PolarHBondContact O-N 3.01Å; V122-L148 HydrophobicContact CG1-CD1 4.01Å; V122-L148 HydrophobicContact CG1-CD2 4.44Å; V122-I152 HydrophobicContact CB-CD1 4.45Å; V122-I152 HydrophobicContact CG2-CD1 4.22Å; V122-I152 HydrophobicContact CG2-CG1 4.35Å |
| 123 | I | 85.9 | Confident | 83.2 | Confident | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.1 | -40.3 | 172.8 | -67.8 | 163.7 | 0 | 0 | 0 | 110.5 | F65 L68 L72 N119 L120 L121 E126 R127 V241 | F65-I123 HydrophobicContact CE2-CG2 4.07Å; L68-I123 HydrophobicContact CB-CD1 4.17Å; L68-I123 HydrophobicContact CB-CG1 3.75Å; L68-I123 HydrophobicContact CD1-CG1 4.11Å; L72-I123 HydrophobicContact CD2-CD1 4.41Å; N119-I123 VanDerWaalsContact O-CG1 3.3Å; N119-I123 WeakPolarHBondContact O-CG1 3.26Å; N119-I123 PolarHBondContact O-N 3.13Å; L120-I123 PolarHBondContact O-N 3.37Å; L121-I123 VanDerWaalsContact C-N 3.33Å; L121-I123 PolarHBondContact O-N 3.06Å; I123-E126 PolarHBondContact O-N 3.5Å; I123-R127 HydrophobicContact CG2-CG 4.24Å; I123-R127 WeakPolarHBondContact O-CB 3.4Å; I123-R127 WeakPolarHBondContact O-CG 3.1Å; I123-R127 PolarHBondContact O-N 2.86Å; I123-V241 HydrophobicContact CG2-CG1 3.75Å; I123-V241 HydrophobicContact CG2-CG2 4.4Å |
| 124 | A | 81.8 | Confident | 81.6 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.008 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.8 | -50.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | L120 L121 V122 R127 H128 Y206 | L120-A124 WeakPolarHBondContact O-CB 3.26Å; L120-A124 PolarHBondContact O-N 3.44Å; L121-A124 WeakPolarHBondContact O-CA 3.5Å; L121-A124 VanDerWaalsContact O-CB 3.26Å; L121-A124 WeakPolarHBondContact O-CB 3.28Å; L121-A124 PolarHBondContact O-N 3.3Å; L121-A124 VanDerWaalsContact O-N 3.12Å; V122-A124 VanDerWaalsContact C-N 3.3Å; V122-A124 PolarHBondContact O-N 2.81Å; A124-R127 PolarHBondContact O-N 3.4Å; A124-H128 WeakPolarHBondContact O-CB 3.24Å; A124-H128 PolarHBondContact O-N 3.33Å; A124-Y206 WeakPolarHBondContact CA-OH 3.42Å; A124-Y206 HydrophobicContact CB-CE2 3.7Å; A124-Y206 VanDerWaalsContact CB-CZ 3.47Å; A124-Y206 WeakPolarHBondContact CB-OH 3.39Å; A124-Y206 PolarHBondContact N-OH 3.16Å |
| 125 | V | 82.1 | Confident | 80 | Confident | 82 Ų | 82 | 40.9 Ų | 40.9 | 50% | 0.497 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -64.1 | -44 | 179.5 | 173.2 | 0 | 0 | 0 | 0 | 110.5 | L121 V122 R127 H128 M129 | L121-V125 WeakPolarHBondContact O-CG2 3.36Å; L121-V125 PolarHBondContact O-N 3.41Å; V122-V125 PolarHBondContact O-N 3.45Å; V125-R127 VanDerWaalsContact C-N 3.31Å; V125-R127 PolarHBondContact O-N 3.47Å; V125-H128 PolarHBondContact O-N 2.9Å; V125-M129 HydrophobicContact CG1-CG 4.37Å; V125-M129 WeakPolarHBondContact O-CB 3.27Å; V125-M129 WeakPolarHBondContact O-CG 3.44Å; V125-M129 PolarHBondContact O-N 3.48Å |
| 126 | E | 80.3 | Confident | 77.9 | Confident | 11 Ų | 11 | 46.3 Ų | 46.3 | 5% | 0.051 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -56.4 | -48 | 176.1 | -169.6 | -76.2 | 148 | 0 | 0 | 111.2 | V122 I123 M129 S130 S138 L140 | V122-E126 VanDerWaalsContact O-CB 3.3Å; V122-E126 WeakPolarHBondContact O-CB 3.34Å; V122-E126 PolarHBondContact O-N 3.01Å; I123-E126 PolarHBondContact O-N 3.5Å; E126-M129 PolarHBondContact O-N 2.91Å; E126-S130 PolarHBondContact O-N 2.74Å; E126-S138 WeakPolarHBondContact OE1-CB 3.45Å; E126-S138 PolarHBondContact OE1-OG 2.9Å; E126-L140 HydrophobicContact CB-CD1 4.49Å; E126-L140 HydrophobicContact CG-CD1 3.41Å; E126-L140 VanDerWaalsContact CG-CD1 3.41Å |
| 127 | R | 75.3 | Confident | 76 | Confident | 23 Ų | 23 | 51.7 Ų | 51.7 | 9% | 0.087 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.7 | -43.5 | -178.5 | -71.2 | -72.1 | 172.9 | -133.5 | 26.3 | 111.8 | F65 I123 A124 V125 M129 S130 V131 V241 | F65-R127 VanDerWaalsContact CE2-NH2 3.25Å; I123-R127 HydrophobicContact CG2-CG 4.24Å; I123-R127 WeakPolarHBondContact O-CB 3.4Å; I123-R127 WeakPolarHBondContact O-CG 3.1Å; I123-R127 PolarHBondContact O-N 2.86Å; A124-R127 PolarHBondContact O-N 3.4Å; V125-R127 VanDerWaalsContact C-N 3.31Å; V125-R127 PolarHBondContact O-N 3.47Å; R127-M129 VanDerWaalsContact C-N 3.28Å; R127-M129 PolarHBondContact O-N 3.4Å; R127-S130 PolarHBondContact O-N 3.36Å; R127-V131 WeakPolarHBondContact O-CB 3.28Å; R127-V131 WeakPolarHBondContact O-CG2 3.27Å; R127-V131 PolarHBondContact O-N 3.21Å; R127-V241 HydrophobicContact CG-CG1 4.48Å |
| 128 | H | 75.8 | Confident | 74.3 | Confident | 61 Ų | 61 | 53.1 Ų | 53.1 | 28% | 0.282 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -54.6 | -47.8 | 172.8 | -178.1 | -97.4 | 0 | 0 | 0 | 111.1 | A124 V125 V131 M132 V205 I209 | A124-H128 WeakPolarHBondContact O-CB 3.24Å; A124-H128 PolarHBondContact O-N 3.33Å; V125-H128 PolarHBondContact O-N 2.9Å; H128-V131 PolarHBondContact O-N 3.49Å; H128-M132 WeakPolarHBondContact NE2-CE 3.26Å; H128-M132 WeakPolarHBondContact O-CB 3.46Å; H128-M132 VanDerWaalsContact O-CG 3.26Å; H128-M132 WeakPolarHBondContact O-CG 3.43Å; H128-M132 PolarHBondContact O-N 2.96Å; H128-V205 HydrophobicContact CB-CG1 4.21Å; H128-I209 HydrophobicContact CB-CD1 3.99Å; H128-I209 HydrophobicContact CB-CG1 4.47Å |
| 129 | M | 76 | Confident | 72.7 | Confident | 81 Ų | 81 | 57 Ų | 57 | 40% | 0.399 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67.7 | -41.4 | -178.3 | -68.3 | -68.1 | -86.7 | 0 | 0 | 112.9 | V125 E126 R127 R133 | V125-M129 HydrophobicContact CG1-CG 4.37Å; V125-M129 WeakPolarHBondContact O-CB 3.27Å; V125-M129 WeakPolarHBondContact O-CG 3.44Å; V125-M129 PolarHBondContact O-N 3.48Å; E126-M129 PolarHBondContact O-N 2.91Å; R127-M129 VanDerWaalsContact C-N 3.28Å; R127-M129 PolarHBondContact O-N 3.4Å; M129-R133 VanDerWaalsContact CE-NH2 3.32Å; M129-R133 VanDerWaalsContact O-CB 3.27Å; M129-R133 WeakPolarHBondContact O-CB 3.25Å; M129-R133 VanDerWaalsContact O-CG 3.26Å; M129-R133 WeakPolarHBondContact O-CG 3.26Å; M129-R133 PolarHBondContact O-N 3.13Å; M129-R133 VanDerWaalsContact O-N 3.08Å |
| 130 | S | 71.4 | Confident | 71.4 | Confident | 17 Ų | 17 | 58.7 Ų | 58.7 | 12% | 0.119 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.1 | -42.5 | 176.4 | 169 | 0 | 0 | 0 | 0 | 111.8 | E126 R127 M134 K135 | E126-S130 PolarHBondContact O-N 2.74Å; R127-S130 PolarHBondContact O-N 3.36Å; S130-M134 PolarHBondContact O-N 3.35Å; S130-M134 VanDerWaalsContact O-N 3.12Å; S130-K135 PolarHBondContact O-N 3.42Å; S130-K135 PolarHBondContact OG-O 2.97Å |
| 131 | V | 68.4 | Low | 71 | Confident | 10 Ų | 10 | 61.9 Ų | 61.9 | 6% | 0.061 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.5 | -49.7 | 178.3 | 170.7 | 0 | 0 | 0 | 0 | 111.8 | R127 H128 R133 M134 I209 Y212 V213 M238 | R127-V131 WeakPolarHBondContact O-CB 3.28Å; R127-V131 WeakPolarHBondContact O-CG2 3.27Å; R127-V131 PolarHBondContact O-N 3.21Å; H128-V131 PolarHBondContact O-N 3.49Å; V131-R133 VanDerWaalsContact C-N 3.29Å; V131-R133 PolarHBondContact O-N 3.17Å; V131-M134 PolarHBondContact O-N 3.38Å; V131-I209 HydrophobicContact CG2-CG2 4.28Å; V131-Y212 HydrophobicContact CG1-CD1 3.39Å; V131-Y212 HydrophobicContact CG1-CE1 3.4Å; V131-V213 HydrophobicContact CG1-CG2 4.48Å; V131-M238 HydrophobicContact CG2-CE 3.22Å; V131-M238 HydrophobicContact CG2-SD 3.83Å |
| 132 | M | 69.4 | Low | 70.5 | Confident | 81 Ų | 81 | 66.1 Ų | 66.1 | 40% | 0.399 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66 | -34.9 | -178.6 | -68.7 | -59.4 | -179.1 | 0 | 0 | 111.6 | H128 M134 Y212 | H128-M132 WeakPolarHBondContact NE2-CE 3.26Å; H128-M132 WeakPolarHBondContact O-CB 3.46Å; H128-M132 VanDerWaalsContact O-CG 3.26Å; H128-M132 WeakPolarHBondContact O-CG 3.43Å; H128-M132 PolarHBondContact O-N 2.96Å; M132-M134 VanDerWaalsContact C-N 3.33Å; M132-Y212 HydrophobicContact SD-CE2 4.42Å |
| 133 | R | 63.5 | Low | 70.3 | Confident | 166 Ų | 166 | 73.5 Ų | 73.5 | 63% | 0.626 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -0.3 | 179.5 | -64.2 | 179.6 | 178.8 | -163.9 | -4 | 113.9 | M129 V131 K135 | M129-R133 VanDerWaalsContact CE-NH2 3.32Å; M129-R133 VanDerWaalsContact O-CB 3.27Å; M129-R133 WeakPolarHBondContact O-CB 3.25Å; M129-R133 VanDerWaalsContact O-CG 3.26Å; M129-R133 WeakPolarHBondContact O-CG 3.26Å; M129-R133 PolarHBondContact O-N 3.13Å; M129-R133 VanDerWaalsContact O-N 3.08Å; V131-R133 VanDerWaalsContact C-N 3.29Å; V131-R133 PolarHBondContact O-N 3.17Å; R133-K135 HydrophobicContact CB-CG 4.33Å; R133-K135 PolarHBondContact O-N 2.92Å |
| 134 | M | 58.9 | Low | 70.3 | Confident | 108 Ų | 108 | 80.8 Ų | 80.8 | 53% | 0.532 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 26.6 | -175.8 | -62.6 | -76.9 | -79.1 | 0 | 0 | 113.4 | S130 V131 M132 K216 | S130-M134 PolarHBondContact O-N 3.35Å; S130-M134 VanDerWaalsContact O-N 3.12Å; V131-M134 PolarHBondContact O-N 3.38Å; M132-M134 VanDerWaalsContact C-N 3.33Å; M134-K216 HydrophobicContact SD-CD 4.39Å; M134-K216 PolarHBondContact SD-NZ 3.38Å |
| 135 | K | 58.9 | Low | 70.5 | Confident | 96 Ų | 96 | 80.9 Ų | 80.9 | 42% | 0.417 | 38% | 0.384 | S | S | . | . | trans | -94.7 | 109.8 | 179 | -73.3 | -173.5 | 177.8 | -177 | 0 | 108.6 | S130 R133 H137 N139 | S130-K135 PolarHBondContact O-N 3.42Å; S130-K135 PolarHBondContact OG-O 2.97Å; R133-K135 HydrophobicContact CB-CG 4.33Å; R133-K135 PolarHBondContact O-N 2.92Å; K135-H137 PolarHBondContact O-N 3.07Å; K135-N139 PolarHBondContact NZ-ND2 3.42Å; K135-N139 VanDerWaalsContact NZ-ND2 3.17Å | ||
| 136 | I | 52.6 | Low | 70.7 | Confident | 114 Ų | 114 | 80.9 Ų | 80.9 | 59% | 0.585 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -59.9 | -32 | 174.6 | -69.5 | 159.5 | 0 | 0 | 0 | 110.9 | ||
| 137 | H | 53 | Low | 71.3 | Confident | 116 Ų | 116 | 87 Ų | 87 | 54% | 0.537 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -109.2 | 116.2 | 175.3 | -60.4 | 95.2 | 0 | 0 | 0 | 109 | F63 K135 N139 | F63-H137 AromaticContact CE1-CD2 3.51Å; K135-H137 PolarHBondContact O-N 3.07Å; H137-N139 PolarHBondContact O-N 2.93Å |
| 138 | S | 56.3 | Low | 72 | Confident | 34 Ų | 34 | 88.3 Ų | 88.3 | 24% | 0.238 | 42% | 0.419 | C | S | . | . | trans | -60.3 | 123 | 172.9 | -161.8 | 0 | 0 | 0 | 0 | 109.1 | E126 L140 | E126-S138 WeakPolarHBondContact OE1-CB 3.45Å; E126-S138 PolarHBondContact OE1-OG 2.9Å; S138-L140 PolarHBondContact O-N 3.09Å; S138-L140 WeakPolarHBondContact OG-CD1 3Å; S138-L140 WeakPolarHBondContact OG-CG 3.46Å | ||
| 139 | N | 58.8 | Low | 72.9 | Confident | 111 Ų | 111 | 87.3 Ų | 87.3 | 59% | 0.594 | 42% | 0.415 | S | S | * | . | trans | -72.3 | 30.6 | 171.1 | -78.6 | 3.2 | 0 | 0 | 0 | 111.5 | K135 H137 T141 | K135-N139 PolarHBondContact NZ-ND2 3.42Å; K135-N139 VanDerWaalsContact NZ-ND2 3.17Å; H137-N139 PolarHBondContact O-N 2.93Å; N139-T141 PolarHBondContact O-N 2.94Å | ||
| 140 | L | 66 | Low | 73.8 | Confident | 35 Ų | 35 | 88.5 Ų | 88.5 | 18% | 0.183 | 42% | 0.422 | C | S | . | . | trans | -76.4 | 104.8 | 171.4 | -81.2 | 173.3 | 0 | 0 | 0 | 107.6 | P64 E126 S138 R144 V145 L148 | P64-L140 HydrophobicContact CB-CB 3.5Å; P64-L140 HydrophobicContact CB-CD1 3.84Å; P64-L140 HydrophobicContact CB-CG 4.34Å; P64-L140 HydrophobicContact CG-CB 3.54Å; P64-L140 WeakPolarHBondContact CG-O 3.45Å; E126-L140 HydrophobicContact CB-CD1 4.49Å; E126-L140 HydrophobicContact CG-CD1 3.41Å; E126-L140 VanDerWaalsContact CG-CD1 3.41Å; S138-L140 PolarHBondContact O-N 3.09Å; S138-L140 WeakPolarHBondContact OG-CD1 3Å; S138-L140 WeakPolarHBondContact OG-CG 3.46Å; L140-R144 HydrophobicContact CD2-CB 4.28Å; L140-V145 HydrophobicContact CB-CG2 4.03Å; L140-L148 HydrophobicContact CD2-CD1 4.49Å | ||
| 141 | T | 78.7 | Confident | 74.9 | Confident | 71 Ų | 71 | 89.3 Ų | 89.3 | 44% | 0.436 | 43% | 0.428 | S | S | . | . | trans | -60.7 | 145.8 | 170.3 | 59.7 | 0 | 0 | 0 | 0 | 109.6 | N139 K143 R144 V145 | N139-T141 PolarHBondContact O-N 2.94Å; T141-K143 PolarHBondContact O-N 2.96Å; T141-K143 VanDerWaalsContact O-N 3.12Å; T141-R144 WeakPolarHBondContact O-CB 3.4Å; T141-R144 PolarHBondContact O-N 2.85Å; T141-R144 VanDerWaalsContact OG1-CG 3.27Å; T141-R144 WeakPolarHBondContact OG1-CG 3.49Å; T141-R144 PolarHBondContact OG1-N 3.01Å; T141-V145 PolarHBondContact O-N 3.36Å | ||
| 142 | K | 78.9 | Confident | 76.2 | Confident | 141 Ų | 141 | 88.9 Ų | 88.9 | 61% | 0.613 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -48.5 | -42 | 174.8 | -65.4 | -178 | -179.1 | 179.9 | 0 | 112.4 | R144 V145 T146 | K142-R144 PolarHBondContact O-N 3.06Å; K142-V145 PolarHBondContact O-N 3.06Å; K142-V145 VanDerWaalsContact O-N 3.13Å; K142-T146 PolarHBondContact O-N 3.15Å; K142-T146 PolarHBondContact O-OG1 3.31Å; K142-T146 VanDerWaalsContact O-OG1 3.12Å |
| 143 | K | 83.9 | Confident | 77.6 | Confident | 180 Ų | 180 | 87.8 Ų | 87.8 | 78% | 0.783 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -54.2 | -45.8 | 176.1 | -65.2 | -174.7 | 178.4 | -176.9 | 0 | 113.3 | T141 T146 F147 | T141-K143 PolarHBondContact O-N 2.96Å; T141-K143 VanDerWaalsContact O-N 3.12Å; K143-T146 PolarHBondContact O-N 3.31Å; K143-F147 PolarHBondContact O-N 3.48Å |
| 144 | R | 86.3 | Confident | 79.2 | Confident | 157 Ų | 157 | 82.6 Ų | 82.6 | 59% | 0.592 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -65.1 | -41 | 177.6 | -74.4 | 176.9 | -178.1 | -175.9 | -0.3 | 111.9 | L140 T141 K142 F147 L148 | L140-R144 HydrophobicContact CD2-CB 4.28Å; T141-R144 WeakPolarHBondContact O-CB 3.4Å; T141-R144 PolarHBondContact O-N 2.85Å; T141-R144 VanDerWaalsContact OG1-CG 3.27Å; T141-R144 WeakPolarHBondContact OG1-CG 3.49Å; T141-R144 PolarHBondContact OG1-N 3.01Å; K142-R144 PolarHBondContact O-N 3.06Å; R144-F147 PolarHBondContact O-N 3.01Å; R144-L148 VanDerWaalsContact O-CG 3.29Å; R144-L148 WeakPolarHBondContact O-CG 3.28Å; R144-L148 PolarHBondContact O-N 3.49Å |
| 145 | V | 86.1 | Confident | 81 | Confident | 4 Ų | 4 | 81.3 Ų | 81.3 | 2% | 0.024 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -64.9 | -44.1 | 178.2 | -179.1 | 0 | 0 | 0 | 0 | 110.9 | P64 L140 T141 K142 F147 L148 I149 | P64-V145 HydrophobicContact CB-CG2 3.68Å; P64-V145 HydrophobicContact CG-CG2 4.23Å; L140-V145 HydrophobicContact CB-CG2 4.03Å; T141-V145 PolarHBondContact O-N 3.36Å; K142-V145 PolarHBondContact O-N 3.06Å; K142-V145 VanDerWaalsContact O-N 3.13Å; V145-F147 VanDerWaalsContact C-N 3.34Å; V145-F147 PolarHBondContact O-N 3.35Å; V145-L148 PolarHBondContact O-N 2.9Å; V145-I149 HydrophobicContact CG1-CD1 4.02Å; V145-I149 WeakPolarHBondContact O-CG1 3.39Å; V145-I149 PolarHBondContact O-N 2.92Å |
| 146 | T | 87.5 | Confident | 82.8 | Confident | 81 Ų | 81 | 76.7 Ų | 76.7 | 50% | 0.497 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -59 | -45.2 | 175.1 | -54.7 | 0 | 0 | 0 | 0 | 111.5 | K142 K143 L148 I149 I150 | K142-T146 PolarHBondContact O-N 3.15Å; K142-T146 PolarHBondContact O-OG1 3.31Å; K142-T146 VanDerWaalsContact O-OG1 3.12Å; K143-T146 PolarHBondContact O-N 3.31Å; T146-L148 PolarHBondContact O-N 3.22Å; T146-I149 PolarHBondContact O-N 3.45Å; T146-I150 HydrophobicContact CG2-CD1 4.07Å; T146-I150 WeakPolarHBondContact O-CG1 3.2Å; T146-I150 PolarHBondContact O-N 3.04Å |
| 147 | F | 91.1 | Very high | 84.9 | Confident | 139 Ų | 139 | 76 Ų | 76 | 61% | 0.61 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -61.5 | -42.2 | 176 | 179.3 | -95.5 | 0 | 0 | 0 | 112.7 | K143 R144 V145 I150 S151 | K143-F147 PolarHBondContact O-N 3.48Å; R144-F147 PolarHBondContact O-N 3.01Å; V145-F147 VanDerWaalsContact C-N 3.34Å; V145-F147 PolarHBondContact O-N 3.35Å; F147-I150 PolarHBondContact O-N 3.35Å; F147-S151 WeakPolarHBondContact O-CB 3.32Å; F147-S151 PolarHBondContact O-N 2.97Å; F147-S151 PolarHBondContact O-OG 2.88Å |
| 148 | L | 91.5 | Very high | 86.9 | Confident | 51 Ų | 51 | 76.5 Ų | 76.5 | 27% | 0.267 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.4 | -44.1 | 175.8 | -72.6 | 169.7 | 0 | 0 | 0 | 111.5 | V122 L140 R144 V145 T146 S151 I152 | V122-L148 HydrophobicContact CG1-CD1 4.01Å; V122-L148 HydrophobicContact CG1-CD2 4.44Å; L140-L148 HydrophobicContact CD2-CD1 4.49Å; R144-L148 VanDerWaalsContact O-CG 3.29Å; R144-L148 WeakPolarHBondContact O-CG 3.28Å; R144-L148 PolarHBondContact O-N 3.49Å; V145-L148 PolarHBondContact O-N 2.9Å; T146-L148 PolarHBondContact O-N 3.22Å; L148-S151 PolarHBondContact O-N 3.31Å; L148-I152 WeakPolarHBondContact O-CD1 3.4Å; L148-I152 VanDerWaalsContact O-CG1 3.23Å; L148-I152 WeakPolarHBondContact O-CG1 3.46Å; L148-I152 PolarHBondContact O-N 3.47Å |
| 149 | I | 93.3 | Very high | 88.8 | Confident | 40 Ų | 40 | 76 Ų | 76 | 21% | 0.205 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.6 | -48.5 | 176.9 | -70.1 | 170.1 | 0 | 0 | 0 | 110.8 | N71 V145 T146 S151 I152 W153 | N71-I149 HydrophobicContact CB-CD1 4.22Å; N71-I149 HydrophobicContact CB-CG1 4.12Å; N71-I149 WeakPolarHBondContact OD1-CG2 3.42Å; V145-I149 HydrophobicContact CG1-CD1 4.02Å; V145-I149 WeakPolarHBondContact O-CG1 3.39Å; V145-I149 PolarHBondContact O-N 2.92Å; T146-I149 PolarHBondContact O-N 3.45Å; I149-S151 VanDerWaalsContact C-N 3.28Å; I149-S151 PolarHBondContact O-N 2.89Å; I149-I152 WeakPolarHBondContact O-CB 3.45Å; I149-I152 PolarHBondContact O-N 3.41Å; I149-W153 VanDerWaalsContact O-CD1 3.24Å; I149-W153 PolarHBondContact O-N 3.17Å; I149-W153 VanDerWaalsContact O-N 3.14Å |
| 150 | I | 95.1 | Very high | 90.4 | Very high | 106 Ų | 106 | 70.8 Ų | 70.8 | 54% | 0.544 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -58.6 | -43.4 | 177.3 | -67.6 | 166.8 | 0 | 0 | 0 | 110.6 | T146 F147 I152 W153 A154 | T146-I150 HydrophobicContact CG2-CD1 4.07Å; T146-I150 WeakPolarHBondContact O-CG1 3.2Å; T146-I150 PolarHBondContact O-N 3.04Å; F147-I150 PolarHBondContact O-N 3.35Å; I150-I152 PolarHBondContact O-N 2.91Å; I150-W153 PolarHBondContact O-N 3.24Å; I150-A154 WeakPolarHBondContact O-CB 3.44Å; I150-A154 PolarHBondContact O-N 3.28Å |
| 151 | S | 95.3 | Very high | 91.8 | Very high | 34 Ų | 34 | 70.6 Ų | 70.6 | 24% | 0.238 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.3 | -39.9 | 178.8 | -56.2 | 0 | 0 | 0 | 0 | 112.3 | F147 L148 I149 A154 I155 | F147-S151 WeakPolarHBondContact O-CB 3.32Å; F147-S151 PolarHBondContact O-N 2.97Å; F147-S151 PolarHBondContact O-OG 2.88Å; L148-S151 PolarHBondContact O-N 3.31Å; I149-S151 VanDerWaalsContact C-N 3.28Å; I149-S151 PolarHBondContact O-N 2.89Å; S151-A154 PolarHBondContact O-N 3.45Å; S151-I155 WeakPolarHBondContact O-CB 3.5Å; S151-I155 VanDerWaalsContact O-CG1 3.26Å; S151-I155 WeakPolarHBondContact O-CG1 3.27Å; S151-I155 PolarHBondContact O-N 3.2Å |
| 152 | I | 96.1 | Very high | 92.6 | Very high | 2 Ų | 2 | 68.1 Ų | 68.1 | 1% | 0.01 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -57.6 | -51 | 175.6 | -72.6 | 158.9 | 0 | 0 | 0 | 110.3 | A115 V118 N119 V122 L148 I149 I150 I155 A156 | A115-I152 WeakPolarHBondContact O-CG2 3.13Å; V118-I152 HydrophobicContact CB-CG1 4.41Å; V118-I152 HydrophobicContact CB-CG2 4.42Å; V118-I152 HydrophobicContact CG1-CB 4.48Å; V118-I152 HydrophobicContact CG1-CG1 3.85Å; N119-I152 HydrophobicContact CB-CD1 4.05Å; N119-I152 HydrophobicContact CB-CG2 4.29Å; V122-I152 HydrophobicContact CB-CD1 4.45Å; V122-I152 HydrophobicContact CG2-CD1 4.22Å; V122-I152 HydrophobicContact CG2-CG1 4.35Å; L148-I152 WeakPolarHBondContact O-CD1 3.4Å; L148-I152 VanDerWaalsContact O-CG1 3.23Å; L148-I152 WeakPolarHBondContact O-CG1 3.46Å; L148-I152 PolarHBondContact O-N 3.47Å; I149-I152 WeakPolarHBondContact O-CB 3.45Å; I149-I152 PolarHBondContact O-N 3.41Å; I150-I152 PolarHBondContact O-N 2.91Å; I152-I155 PolarHBondContact O-N 3.2Å; I152-A156 VanDerWaalsContact O-CB 3.28Å; I152-A156 WeakPolarHBondContact O-CB 3.27Å; I152-A156 PolarHBondContact O-N 2.7Å |
| 153 | W | 97.6 | Very high | 93.3 | Very high | 58 Ų | 58 | 61.4 Ų | 61.4 | 22% | 0.22 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.5 | -38.7 | -179.2 | -75 | 102.4 | 0 | 0 | 0 | 112.5 | N71 A74 F78 A115 I149 I150 A156 I157 | N71-W153 PolarHBondContact OD1-NE1 2.91Å; A74-W153 HydrophobicContact CB-CZ2 4.39Å; F78-W153 HydrophobicContact CB-CH2 3.92Å; F78-W153 HydrophobicContact CB-CZ3 4.42Å; F78-W153 HydrophobicContact CD1-CH2 4.43Å; F78-W153 HydrophobicContact CD1-CZ3 4.17Å; F78-W153 HydrophobicContact CG-CH2 4.13Å; F78-W153 HydrophobicContact CG-CZ3 4.13Å; A115-W153 HydrophobicContact CB-CZ3 4.4Å; I149-W153 VanDerWaalsContact O-CD1 3.24Å; I149-W153 PolarHBondContact O-N 3.17Å; I149-W153 VanDerWaalsContact O-N 3.14Å; I150-W153 PolarHBondContact O-N 3.24Å; W153-A156 PolarHBondContact O-N 3.29Å; W153-I157 WeakPolarHBondContact O-CB 3.34Å; W153-I157 VanDerWaalsContact O-CG1 3.27Å; W153-I157 WeakPolarHBondContact O-CG1 3.4Å; W153-I157 PolarHBondContact O-N 3.02Å |
| 154 | A | 97.4 | Very high | 93.7 | Very high | 57 Ų | 57 | 56.1 Ų | 56.1 | 47% | 0.471 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.9 | -47.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | I150 S151 A156 F158 | I150-A154 WeakPolarHBondContact O-CB 3.44Å; I150-A154 PolarHBondContact O-N 3.28Å; S151-A154 PolarHBondContact O-N 3.45Å; A154-A156 VanDerWaalsContact C-N 3.34Å; A154-A156 PolarHBondContact O-N 2.8Å; A154-F158 VanDerWaalsContact O-CB 3.27Å; A154-F158 WeakPolarHBondContact O-CB 3.37Å; A154-F158 PolarHBondContact O-N 3.49Å |
| 155 | I | 96.1 | Very high | 93.9 | Very high | 80 Ų | 80 | 55 Ų | 55 | 41% | 0.41 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 176.1 | -66.7 | 165.2 | 0 | 0 | 0 | 110.2 | T114 V118 S151 I152 F158 M159 | T114-I155 HydrophobicContact CG2-CG2 4.29Å; V118-I155 HydrophobicContact CG1-CD1 4.42Å; V118-I155 HydrophobicContact CG2-CG2 4.1Å; S151-I155 WeakPolarHBondContact O-CB 3.5Å; S151-I155 VanDerWaalsContact O-CG1 3.26Å; S151-I155 WeakPolarHBondContact O-CG1 3.27Å; S151-I155 PolarHBondContact O-N 3.2Å; I152-I155 PolarHBondContact O-N 3.2Å; I155-F158 PolarHBondContact O-N 2.03Å; I155-M159 HydrophobicContact CG2-CG 4.17Å; I155-M159 VanDerWaalsContact O-CB 3.26Å; I155-M159 WeakPolarHBondContact O-CB 3.49Å; I155-M159 VanDerWaalsContact O-CG 3.24Å; I155-M159 WeakPolarHBondContact O-CG 3.36Å; I155-M159 PolarHBondContact O-N 3.32Å |
| 156 | A | 97.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.1 | -47.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113 | T111 T114 A115 I152 W153 A154 M159 G160 | T111-A156 HydrophobicContact CG2-CB 4.07Å; T114-A156 HydrophobicContact CG2-CB 4.2Å; A115-A156 HydrophobicContact CB-CB 3.73Å; I152-A156 VanDerWaalsContact O-CB 3.28Å; I152-A156 WeakPolarHBondContact O-CB 3.27Å; I152-A156 PolarHBondContact O-N 2.7Å; W153-A156 PolarHBondContact O-N 3.29Å; A154-A156 VanDerWaalsContact C-N 3.34Å; A154-A156 PolarHBondContact O-N 2.8Å; A156-M159 PolarHBondContact O-N 3.14Å; A156-G160 PolarHBondContact O-N 3.02Å |
| 157 | I | 96.5 | Very high | 94.4 | Very high | 99 Ų | 99 | 58 Ų | 58 | 51% | 0.508 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65.2 | -43.8 | 178.7 | -68.1 | 165.9 | 0 | 0 | 0 | 110.2 | T111 W153 G160 A161 | T111-I157 HydrophobicContact CG2-CG1 4.08Å; W153-I157 WeakPolarHBondContact O-CB 3.34Å; W153-I157 VanDerWaalsContact O-CG1 3.27Å; W153-I157 WeakPolarHBondContact O-CG1 3.4Å; W153-I157 PolarHBondContact O-N 3.02Å; I157-G160 PolarHBondContact O-N 3.23Å; I157-A161 VanDerWaalsContact O-CB 3.28Å; I157-A161 WeakPolarHBondContact O-CB 3.46Å; I157-A161 PolarHBondContact O-N 3.33Å |
| 158 | F | 96.2 | Very high | 94.5 | Very high | 127 Ų | 127 | 52.4 Ų | 52.4 | 56% | 0.557 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -57.7 | -53.6 | 177 | 175.5 | -102.5 | 0 | 0 | 0 | 110.7 | A154 I155 G160 A161 V162 | A154-F158 VanDerWaalsContact O-CB 3.27Å; A154-F158 WeakPolarHBondContact O-CB 3.37Å; A154-F158 PolarHBondContact O-N 3.49Å; I155-F158 PolarHBondContact O-N 2.03Å; F158-G160 VanDerWaalsContact C-N 3.35Å; F158-G160 PolarHBondContact O-N 3.03Å; F158-A161 PolarHBondContact O-N 3.5Å; F158-V162 HydrophobicContact CD1-CG2 4.34Å; F158-V162 HydrophobicContact CE1-CG2 4.03Å; F158-V162 HydrophobicContact CZ-CG2 4.22Å; F158-V162 WeakPolarHBondContact O-CG2 3.22Å; F158-V162 PolarHBondContact O-N 2.97Å; F158-V162 VanDerWaalsContact O-N 3.09Å |
| 159 | M | 94.3 | Very high | 94.6 | Very high | 22 Ų | 22 | 50.1 Ų | 50.1 | 11% | 0.108 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59 | -41.7 | -179.9 | -76.3 | -55.9 | -71.8 | 0 | 0 | 112.5 | T114 I155 A156 A161 Y187 F190 W191 L194 | T114-M159 HydrophobicContact CG2-CB 3.98Å; T114-M159 HydrophobicContact CG2-CG 4.12Å; I155-M159 HydrophobicContact CG2-CG 4.17Å; I155-M159 VanDerWaalsContact O-CB 3.26Å; I155-M159 WeakPolarHBondContact O-CB 3.49Å; I155-M159 VanDerWaalsContact O-CG 3.24Å; I155-M159 WeakPolarHBondContact O-CG 3.36Å; I155-M159 PolarHBondContact O-N 3.32Å; A156-M159 PolarHBondContact O-N 3.14Å; M159-A161 VanDerWaalsContact C-N 3.3Å; M159-A161 PolarHBondContact O-N 2.87Å; M159-Y187 PolarHBondContact O-OH 3.27Å; M159-F190 HydrophobicContact CE-CE1 4.07Å; M159-W191 HydrophobicContact CB-CH2 3.95Å; M159-W191 HydrophobicContact CB-CZ3 3.72Å; M159-W191 HydrophobicContact CE-CE3 3.56Å; M159-W191 HydrophobicContact CE-CH2 4.36Å; M159-W191 HydrophobicContact CE-CZ3 3.31Å; M159-W191 HydrophobicContact CG-CZ3 4.37Å; M159-W191 HydrophobicContact SD-CZ3 4.48Å; M159-L194 HydrophobicContact CE-CD2 3.54Å |
| 160 | G | 94.1 | Very high | 94.5 | Very high | 3 Ų | 3 | 48.2 Ų | 48.2 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -70.9 | -20.7 | 175 | 0 | 0 | 0 | 0 | 0 | 114.8 | A156 I157 F158 | A156-G160 PolarHBondContact O-N 3.02Å; I157-G160 PolarHBondContact O-N 3.23Å; F158-G160 VanDerWaalsContact C-N 3.35Å; F158-G160 PolarHBondContact O-N 3.03Å |
| 161 | A | 94.8 | Very high | 94.3 | Very high | 30 Ų | 30 | 45.1 Ų | 45.1 | 25% | 0.248 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -89 | -19.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | I157 F158 M159 T164 L165 | I157-A161 VanDerWaalsContact O-CB 3.28Å; I157-A161 WeakPolarHBondContact O-CB 3.46Å; I157-A161 PolarHBondContact O-N 3.33Å; F158-A161 PolarHBondContact O-N 3.5Å; M159-A161 VanDerWaalsContact C-N 3.3Å; M159-A161 PolarHBondContact O-N 2.87Å; A161-T164 WeakPolarHBondContact O-CA 3.29Å; A161-T164 WeakPolarHBondContact O-CB 3.23Å; A161-T164 PolarHBondContact O-N 3.35Å; A161-L165 HydrophobicContact CB-CD1 4.23Å; A161-L165 HydrophobicContact CB-CG 4.45Å; A161-L165 WeakPolarHBondContact O-CG 3.28Å; A161-L165 PolarHBondContact O-N 3.03Å |
| 162 | V | 95.3 | Very high | 94.1 | Very high | 19 Ų | 19 | 47.3 Ų | 47.3 | 12% | 0.115 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49 | -46.2 | -175.7 | 171.7 | 0 | 0 | 0 | 0 | 113.7 | F158 T164 L165 G166 W167 Y187 | F158-V162 HydrophobicContact CD1-CG2 4.34Å; F158-V162 HydrophobicContact CE1-CG2 4.03Å; F158-V162 HydrophobicContact CZ-CG2 4.22Å; F158-V162 WeakPolarHBondContact O-CG2 3.22Å; F158-V162 PolarHBondContact O-N 2.97Å; F158-V162 VanDerWaalsContact O-N 3.09Å; V162-T164 VanDerWaalsContact C-N 3.31Å; V162-T164 PolarHBondContact O-N 3.24Å; V162-L165 PolarHBondContact O-N 3.2Å; V162-G166 PolarHBondContact O-N 2.88Å; V162-W167 HydrophobicContact CG1-CB 3.94Å; V162-W167 HydrophobicContact CG1-CD2 4.43Å; V162-W167 HydrophobicContact CG1-CE3 3.7Å; V162-W167 PolarHBondContact O-N 3.49Å; V162-Y187 HydrophobicContact CB-CE2 4.13Å; V162-Y187 HydrophobicContact CG1-CD2 4.13Å; V162-Y187 HydrophobicContact CG1-CE2 3.86Å |
| 163 | P | 92.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -37.3 | 178 | -26.2 | 38.6 | 0 | 0 | 0 | 113.1 | F103 L165 G166 N168 Y183 Y187 | F103-P163 HydrophobicContact CD1-CB 4.29Å; F103-P163 HydrophobicContact CE1-CB 3.91Å; P163-L165 VanDerWaalsContact C-N 3.3Å; P163-G166 PolarHBondContact O-N 2.98Å; P163-N168 WeakPolarHBondContact O-CB 3.41Å; P163-N168 PolarHBondContact O-ND2 3.26Å; P163-Y183 HydrophobicContact CB-CD1 4.07Å; P163-Y183 HydrophobicContact CB-CE1 3.53Å; P163-Y183 HydrophobicContact CB-CE2 4.33Å; P163-Y183 HydrophobicContact CG-CE1 3.98Å; P163-Y183 HydrophobicContact CG-CE2 3.88Å; P163-Y187 HydrophobicContact CG-CD1 3.99Å; P163-Y187 HydrophobicContact CG-CD2 4.27Å; P163-Y187 HydrophobicContact CG-CE1 3.43Å; P163-Y187 VanDerWaalsContact CG-CE1 3.43Å; P163-Y187 HydrophobicContact CG-CE2 3.74Å; P163-Y187 HydrophobicContact CG-CG 4.38Å; P163-Y187 WeakPolarHBondContact CG-OH 3.45Å |
| 164 | T | 92.1 | Very high | 93.2 | Very high | 70 Ų | 70 | 52 Ų | 52 | 43% | 0.429 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -30.9 | 177.9 | -47.7 | 0 | 0 | 0 | 0 | 111.4 | A161 V162 G166 | A161-T164 WeakPolarHBondContact O-CA 3.29Å; A161-T164 WeakPolarHBondContact O-CB 3.23Å; A161-T164 PolarHBondContact O-N 3.35Å; V162-T164 VanDerWaalsContact C-N 3.31Å; V162-T164 PolarHBondContact O-N 3.24Å; T164-G166 VanDerWaalsContact C-N 3.26Å; T164-G166 PolarHBondContact O-N 3.31Å |
| 165 | L | 92.1 | Very high | 92.9 | Very high | 134 Ų | 134 | 50.8 Ų | 50.8 | 70% | 0.702 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | 0.7 | 179.5 | -66.1 | 175.2 | 0 | 0 | 0 | 114.3 | A161 V162 P163 | A161-L165 HydrophobicContact CB-CD1 4.23Å; A161-L165 HydrophobicContact CB-CG 4.45Å; A161-L165 WeakPolarHBondContact O-CG 3.28Å; A161-L165 PolarHBondContact O-N 3.03Å; V162-L165 PolarHBondContact O-N 3.2Å; P163-L165 VanDerWaalsContact C-N 3.3Å |
| 166 | G | 90.2 | Very high | 92.6 | Very high | 47 Ų | 47 | 47 Ų | 47 | 49% | 0.485 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 133.3 | -11.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | V162 P163 T164 N168 | V162-G166 PolarHBondContact O-N 2.88Å; P163-G166 PolarHBondContact O-N 2.98Å; T164-G166 VanDerWaalsContact C-N 3.26Å; T164-G166 PolarHBondContact O-N 3.31Å; G166-N168 PolarHBondContact O-N 3.43Å |
| 167 | W | 93.6 | Very high | 92.2 | Very high | 101 Ų | 101 | 47 Ų | 47 | 38% | 0.383 | 27% | 0.266 | S | S | . | . | trans | -83 | 48.6 | 178 | -154.6 | -13.8 | 0 | 0 | 0 | 112.7 | V162 S184 S186 Y187 F190 | V162-W167 HydrophobicContact CG1-CB 3.94Å; V162-W167 HydrophobicContact CG1-CD2 4.43Å; V162-W167 HydrophobicContact CG1-CE3 3.7Å; V162-W167 PolarHBondContact O-N 3.49Å; W167-S184 PolarHBondContact O-OG 3Å; W167-S186 PolarHBondContact NE1-OG 3.41Å; W167-Y187 HydrophobicContact CB-CD2 4.46Å; W167-Y187 HydrophobicContact CD2-CD2 4.09Å; W167-Y187 HydrophobicContact CE3-CD2 4.2Å; W167-Y187 HydrophobicContact CG-CD2 4.22Å; W167-F190 HydrophobicContact CH2-CB 4.08Å; W167-F190 AromaticContact CH2-CD1 3.92Å; W167-F190 HydrophobicContact CH2-CD1 3.92Å; W167-F190 HydrophobicContact CH2-CD2 4.21Å; W167-F190 HydrophobicContact CH2-CE1 4.44Å; W167-F190 AromaticContact CH2-CG 3.79Å; W167-F190 HydrophobicContact CH2-CG 3.79Å; W167-F190 HydrophobicContact CZ2-CB 4.29Å; W167-F190 HydrophobicContact CZ2-CG 4.48Å; W167-F190 AromaticContact CZ3-CD1 3.98Å; W167-F190 HydrophobicContact CZ3-CD1 3.98Å; W167-F190 HydrophobicContact CZ3-CE1 4.18Å; W167-F190 HydrophobicContact CZ3-CG 4.31Å | ||
| 168 | N | 93.4 | Very high | 91.6 | Very high | 21 Ų | 21 | 44 Ų | 44 | 11% | 0.112 | 25% | 0.254 | C | S | . | . | B | Isolated β-bridge | trans | -117.4 | 177.4 | -179.8 | 60.6 | 66.4 | 0 | 0 | 0 | 111.1 | F103 P163 G166 L170 I182 | F103-N168 HydrophobicContact CE1-CB 4.14Å; F103-N168 HydrophobicContact CZ-CB 3.71Å; P163-N168 WeakPolarHBondContact O-CB 3.41Å; P163-N168 PolarHBondContact O-ND2 3.26Å; G166-N168 PolarHBondContact O-N 3.43Å; N168-L170 HydrophobicContact CB-CG 4.46Å; N168-L170 VanDerWaalsContact OD1-CB 3.31Å; N168-L170 WeakPolarHBondContact OD1-CB 3.32Å; N168-L170 VanDerWaalsContact OD1-CG 3.29Å; N168-L170 WeakPolarHBondContact OD1-CG 3.46Å; N168-L170 PolarHBondContact OD1-N 3.19Å; N168-L170 VanDerWaalsContact OD1-N 3.13Å; N168-I182 WeakPolarHBondContact CB-O 3.17Å |
| 169 | C | 92.8 | Very high | 90.9 | Very high | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.014 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -104.4 | 14.9 | -178.8 | 67.1 | 0 | 0 | 0 | 0 | 113.6 | C171 N172 I173 C176 I182 | C169-C171 PolarHBondContact O-N 2.94Å; C169-N172 CarbonylContact O-C 3.35Å; C169-N172 PolarHBondContact O-N 3.07Å; C169-I173 PolarHBondContact O-N 3.39Å; C169-C176 HydrophobicContact CB-CB 3.96Å; C169-C176 WeakPolarHBondContact CB-SG 3.5Å; C169-C176 WeakPolarHBondContact SG-CA 3.11Å; C169-C176 WeakPolarHBondContact SG-CB 3.08Å; C169-C176 CovalentContact SG-SG 2.03Å; C169-C176 PolarHBondContact SG-SG 3.44Å; C169-I182 PolarHBondContact N-O 2.92Å; C169-I182 VanDerWaalsContact SG-CA 3.58Å; C169-I182 PolarHBondContact SG-O 2.76Å; C169-I182 VanDerWaalsContact SG-O 3.37Å |
| 170 | L | 91.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -28.4 | -172.7 | -65.3 | 173.9 | 0 | 0 | 0 | 113.9 | Y5 Y6 F13 V99 F103 N168 I182 | Y5-L170 WeakPolarHBondContact CD2-O 3.27Å; Y5-L170 PolarHBondContact N-O 3.23Å; Y5-L170 VanDerWaalsContact N-O 3.1Å; Y6-L170 HydrophobicContact CD1-CD1 3.57Å; Y6-L170 HydrophobicContact CE1-CD1 3.31Å; Y6-L170 HydrophobicContact CG-CD1 4.38Å; F13-L170 HydrophobicContact CE1-CD2 3.64Å; F13-L170 HydrophobicContact CE2-CD2 4.3Å; F13-L170 HydrophobicContact CZ-CD2 3.43Å; F13-L170 VanDerWaalsContact CZ-CD2 3.43Å; V99-L170 HydrophobicContact CG1-CD1 3.85Å; V99-L170 HydrophobicContact CG1-CD2 4.09Å; V99-L170 HydrophobicContact CG2-CD2 4.45Å; F103-L170 HydrophobicContact CE2-CD1 3.89Å; F103-L170 HydrophobicContact CZ-CD1 4.13Å; N168-L170 HydrophobicContact CB-CG 4.46Å; N168-L170 VanDerWaalsContact OD1-CB 3.31Å; N168-L170 WeakPolarHBondContact OD1-CB 3.32Å; N168-L170 VanDerWaalsContact OD1-CG 3.29Å; N168-L170 WeakPolarHBondContact OD1-CG 3.46Å; N168-L170 PolarHBondContact OD1-N 3.19Å; N168-L170 VanDerWaalsContact OD1-N 3.13Å; L170-I182 HydrophobicContact CD2-CB 4.24Å; L170-I182 HydrophobicContact CD2-CG2 3.98Å |
| 171 | C | 91.3 | Very high | 90.2 | Very high | 41 Ų | 41 | 37.5 Ų | 37.5 | 28% | 0.277 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | 0.1 | 175.8 | -54 | 0 | 0 | 0 | 0 | 113.2 | N2 C4 C169 | N2-C171 HydrophobicContact CB-CB 4.47Å; C4-C171 HydrophobicContact CB-CB 4.11Å; C4-C171 WeakPolarHBondContact CB-SG 3.3Å; C4-C171 WeakPolarHBondContact SG-CB 3.18Å; C4-C171 CovalentContact SG-SG 2.04Å; C4-C171 PolarHBondContact SG-SG 3.45Å; C169-C171 PolarHBondContact O-N 2.94Å |
| 172 | N | 90.3 | Very high | 90 | Very high | 81 Ų | 81 | 36.1 Ų | 36.1 | 43% | 0.433 | 21% | 0.214 | S | C | . | . | trans | -148.7 | 83.1 | 177 | -173.9 | -2.6 | 0 | 0 | 0 | 110.6 | C169 T174 A175 | C169-N172 CarbonylContact O-C 3.35Å; C169-N172 PolarHBondContact O-N 3.07Å; N172-T174 PolarHBondContact O-N 3.11Å; N172-T174 VanDerWaalsContact O-N 3.14Å; N172-T174 PolarHBondContact OD1-N 2.95Å; N172-T174 PolarHBondContact OD1-OG1 3.49Å; N172-A175 HydrophobicContact CB-CB 4.43Å; N172-A175 WeakPolarHBondContact O-CB 3.47Å; N172-A175 PolarHBondContact O-N 3.2Å | ||
| 173 | I | 88.5 | Confident | 89.9 | Confident | 47 Ų | 47 | 35.3 Ų | 35.3 | 24% | 0.241 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -60 | -27.7 | -174 | -162.2 | 73.1 | 0 | 0 | 0 | 113.4 | F12 F13 K16 C169 A175 C176 | F12-I173 HydrophobicContact CE1-CD1 4.18Å; F13-I173 HydrophobicContact CD1-CD1 3.73Å; F13-I173 HydrophobicContact CE1-CD1 3.99Å; K16-I173 HydrophobicContact CB-CG1 4.39Å; C169-I173 PolarHBondContact O-N 3.39Å; I173-A175 PolarHBondContact O-N 2.99Å; I173-C176 WeakPolarHBondContact O-CB 3.31Å; I173-C176 PolarHBondContact O-N 3.41Å; I173-C176 PolarHBondContact O-SG 3.42Å |
| 174 | T | 86.5 | Confident | 89.9 | Confident | 110 Ų | 110 | 35.6 Ų | 35.6 | 68% | 0.675 | 21% | 0.211 | S | C | * | . | G | 310 helix | trans | -69.3 | -22.6 | 179.5 | 66 | 0 | 0 | 0 | 0 | 112.8 | N172 C176 | N172-T174 PolarHBondContact O-N 3.11Å; N172-T174 VanDerWaalsContact O-N 3.14Å; N172-T174 PolarHBondContact OD1-N 2.95Å; N172-T174 PolarHBondContact OD1-OG1 3.49Å; T174-C176 VanDerWaalsContact C-N 3.33Å |
| 175 | A | 89.9 | Confident | 89.9 | Confident | 32 Ų | 32 | 35 Ų | 35 | 26% | 0.264 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -88.2 | 2.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | N172 I173 R185 | N172-A175 HydrophobicContact CB-CB 4.43Å; N172-A175 WeakPolarHBondContact O-CB 3.47Å; N172-A175 PolarHBondContact O-N 3.2Å; I173-A175 PolarHBondContact O-N 2.99Å; A175-R185 WeakPolarHBondContact O-CG 3.48Å; A175-R185 PolarHBondContact O-N 2.93Å |
| 176 | C | 90.4 | Very high | 90 | Very high | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.014 | 19% | 0.19 | C | C | . | . | B | Isolated β-bridge | trans | -72.1 | 144 | 179.8 | -66.8 | 0 | 0 | 0 | 0 | 112.4 | T17 C169 I173 T174 P181 R185 | T17-C176 HydrophobicContact CG2-CB 3.74Å; C169-C176 HydrophobicContact CB-CB 3.96Å; C169-C176 WeakPolarHBondContact CB-SG 3.5Å; C169-C176 WeakPolarHBondContact SG-CA 3.11Å; C169-C176 WeakPolarHBondContact SG-CB 3.08Å; C169-C176 CovalentContact SG-SG 2.03Å; C169-C176 PolarHBondContact SG-SG 3.44Å; I173-C176 WeakPolarHBondContact O-CB 3.31Å; I173-C176 PolarHBondContact O-N 3.41Å; I173-C176 PolarHBondContact O-SG 3.42Å; T174-C176 VanDerWaalsContact C-N 3.33Å; C176-P181 PolarHBondContact SG-O 2.85Å; C176-R185 PolarHBondContact O-NE 3.13Å; C176-R185 PolarHBondContact O-NH2 2.96Å |
| 177 | S | 89.2 | Confident | 90.2 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -82.5 | 158.5 | 176 | 79.2 | 0 | 0 | 0 | 0 | 112.3 | A180 Y183 L188 D262 | S177-A180 VanDerWaalsContact OG-C 3.25Å; S177-A180 WeakPolarHBondContact OG-CA 3.5Å; S177-A180 WeakPolarHBondContact OG-CB 3.47Å; S177-A180 PolarHBondContact OG-N 3.39Å; S177-A180 VanDerWaalsContact OG-N 3.16Å; S177-A180 PolarHBondContact OG-O 2.95Å; S177-Y183 PolarHBondContact N-O 3.2Å; S177-Y183 VanDerWaalsContact N-O 3.13Å; S177-L188 WeakPolarHBondContact OG-CD1 3.36Å; S177-D262 VanDerWaalsContact CB-OD2 3.25Å; S177-D262 WeakPolarHBondContact CB-OD2 3.22Å; S177-D262 PolarHBondContact OG-OD2 2.98Å | ||
| 178 | S | 84.6 | Confident | 90.2 | Very high | 34 Ų | 34 | 25.1 Ų | 25.1 | 24% | 0.238 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -84.3 | -29.6 | -177.4 | -55.9 | 0 | 0 | 0 | 0 | 112.2 | D262 Q272 | S178-D262 VanDerWaalsContact CB-OD1 3.28Å; S178-D262 WeakPolarHBondContact CB-OD1 3.41Å; S178-D262 PolarHBondContact N-OD1 3.47Å; S178-D262 PolarHBondContact N-OD2 2.91Å; S178-Q272 PolarHBondContact O-NE2 3.43Å |
| 179 | L | 81.6 | Confident | 90.3 | Very high | 8 Ų | 8 | 26 Ų | 26 | 4% | 0.042 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -80.7 | -34.3 | 177.1 | -72.3 | 172.6 | 0 | 0 | 0 | 113.3 | V258 L259 D262 I271 K275 | L179-V258 HydrophobicContact CD1-CG1 3.68Å; L179-L259 HydrophobicContact CD1-CD2 4.05Å; L179-D262 VanDerWaalsContact CB-OD2 3.24Å; L179-D262 WeakPolarHBondContact CB-OD2 3.33Å; L179-D262 HydrophobicContact CD1-CB 3.8Å; L179-D262 HydrophobicContact CG-CB 4.16Å; L179-D262 PolarHBondContact N-OD2 3.37Å; L179-I271 HydrophobicContact CD1-CG2 3.44Å; L179-I271 VanDerWaalsContact CD1-CG2 3.44Å; L179-I271 HydrophobicContact CD2-CG2 3.64Å; L179-I271 HydrophobicContact CG-CG2 3.57Å; L179-K275 HydrophobicContact CD2-CB 4.25Å; L179-K275 HydrophobicContact CD2-CD 3.92Å; L179-K275 HydrophobicContact CD2-CG 4.37Å; L179-K275 PolarHBondContact O-NZ 3.23Å |
| 180 | A | 87.9 | Confident | 90.4 | Very high | 8 Ų | 8 | 30 Ų | 30 | 7% | 0.066 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -126.5 | 85.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | W102 S177 I182 Y183 | W102-A180 HydrophobicContact CH2-CB 3.77Å; W102-A180 HydrophobicContact CZ2-CB 4.34Å; S177-A180 VanDerWaalsContact OG-C 3.25Å; S177-A180 WeakPolarHBondContact OG-CA 3.5Å; S177-A180 WeakPolarHBondContact OG-CB 3.47Å; S177-A180 PolarHBondContact OG-N 3.39Å; S177-A180 VanDerWaalsContact OG-N 3.16Å; S177-A180 PolarHBondContact OG-O 2.95Å; A180-I182 PolarHBondContact O-N 3.41Å; A180-Y183 HydrophobicContact CB-CD2 4.33Å; A180-Y183 HydrophobicContact CB-CG 4.08Å; A180-Y183 PolarHBondContact O-N 3.47Å |
| 181 | P | 85.1 | Confident | 90.5 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -8.9 | -165.2 | -26.3 | 34.8 | 0 | 0 | 0 | 117.1 | F13 Y14 T17 C176 | F13-P181 HydrophobicContact CB-CB 3.73Å; Y14-P181 HydrophobicContact CD1-CG 3.58Å; Y14-P181 HydrophobicContact CE1-CG 3.51Å; Y14-P181 HydrophobicContact CG-CG 4.18Å; T17-P181 HydrophobicContact CG2-CB 4.32Å; T17-P181 WeakPolarHBondContact OG1-CB 3.36Å; C176-P181 PolarHBondContact SG-O 2.85Å |
| 182 | I | 90.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.8 | -5 | 175.8 | 61.2 | 158.5 | 0 | 0 | 0 | 113.6 | M10 F13 V99 W102 F103 N168 C169 L170 A180 | M10-I182 HydrophobicContact CE-CB 4.26Å; M10-I182 HydrophobicContact CE-CD1 3.66Å; M10-I182 HydrophobicContact CE-CG1 3.94Å; M10-I182 HydrophobicContact CE-CG2 3.36Å; M10-I182 HydrophobicContact SD-CG2 4.1Å; F13-I182 HydrophobicContact CB-CG2 4.25Å; F13-I182 HydrophobicContact CD1-CG2 3.86Å; F13-I182 HydrophobicContact CD2-CG2 3.97Å; F13-I182 HydrophobicContact CE1-CG2 4.18Å; F13-I182 HydrophobicContact CE2-CG2 4.27Å; F13-I182 HydrophobicContact CG-CG2 3.75Å; F13-I182 HydrophobicContact CZ-CG2 4.37Å; V99-I182 HydrophobicContact CG1-CD1 4.47Å; W102-I182 HydrophobicContact CB-CD1 4.44Å; W102-I182 HydrophobicContact CD2-CD1 3.77Å; W102-I182 HydrophobicContact CD2-CG1 3.88Å; W102-I182 HydrophobicContact CE3-CD1 3.11Å; W102-I182 HydrophobicContact CE3-CG1 3.33Å; W102-I182 HydrophobicContact CG-CD1 4.37Å; W102-I182 HydrophobicContact CH2-CG1 3.89Å; W102-I182 HydrophobicContact CZ2-CG1 4.35Å; W102-I182 HydrophobicContact CZ3-CD1 3.59Å; W102-I182 HydrophobicContact CZ3-CG1 3.34Å; F103-I182 HydrophobicContact CD1-CD1 3.58Å; F103-I182 HydrophobicContact CD2-CD1 3.85Å; F103-I182 HydrophobicContact CE1-CD1 3.4Å; F103-I182 VanDerWaalsContact CE1-CD1 3.4Å; F103-I182 HydrophobicContact CE1-CG1 4.19Å; F103-I182 HydrophobicContact CE2-CD1 3.73Å; F103-I182 HydrophobicContact CG-CD1 3.77Å; F103-I182 HydrophobicContact CZ-CD1 3.47Å; F103-I182 VanDerWaalsContact CZ-CD1 3.47Å; F103-I182 HydrophobicContact CZ-CG1 4.34Å; N168-I182 WeakPolarHBondContact CB-O 3.17Å; C169-I182 PolarHBondContact N-O 2.92Å; C169-I182 VanDerWaalsContact SG-CA 3.58Å; C169-I182 PolarHBondContact SG-O 2.76Å; C169-I182 VanDerWaalsContact SG-O 3.37Å; L170-I182 HydrophobicContact CD2-CB 4.24Å; L170-I182 HydrophobicContact CD2-CG2 3.98Å; A180-I182 PolarHBondContact O-N 3.41Å |
| 183 | Y | 92.3 | Very high | 90.9 | Very high | 2 Ų | 2 | 27.6 Ų | 27.6 | 1% | 0.008 | 16% | 0.16 | C | C | . | . | B | Isolated β-bridge | trans | -86.6 | 139.7 | 175 | -80.1 | 20.4 | 0 | 0 | 0 | 109.5 | W102 F103 Q106 D110 P163 S177 A180 Y187 L188 | W102-Y183 HydrophobicContact CE3-CE1 4.44Å; W102-Y183 HydrophobicContact CH2-CD1 4.21Å; W102-Y183 HydrophobicContact CH2-CE1 4.32Å; W102-Y183 AromaticContact CZ3-CD1 3.73Å; W102-Y183 HydrophobicContact CZ3-CD1 3.73Å; W102-Y183 AromaticContact CZ3-CE1 3.53Å; W102-Y183 HydrophobicContact CZ3-CE1 3.53Å; F103-Y183 AromaticContact CD1-CE1 3.79Å; F103-Y183 HydrophobicContact CD1-CE1 3.79Å; F103-Y183 HydrophobicContact CE1-CD1 4.1Å; F103-Y183 AromaticContact CE1-CE1 3.72Å; F103-Y183 HydrophobicContact CE1-CE1 3.72Å; Q106-Y183 HydrophobicContact CG-CE1 4.25Å; Q106-Y183 HydrophobicContact CG-CE2 3.75Å; Q106-Y183 VanDerWaalsContact CG-CZ 3.49Å; Q106-Y183 VanDerWaalsContact CG-OH 3.24Å; Q106-Y183 WeakPolarHBondContact CG-OH 3.45Å; D110-Y183 WeakPolarHBondContact OD2-CE2 3.43Å; D110-Y183 PolarHBondContact OD2-OH 2.95Å; P163-Y183 HydrophobicContact CB-CD1 4.07Å; P163-Y183 HydrophobicContact CB-CE1 3.53Å; P163-Y183 HydrophobicContact CB-CE2 4.33Å; P163-Y183 HydrophobicContact CG-CE1 3.98Å; P163-Y183 HydrophobicContact CG-CE2 3.88Å; S177-Y183 PolarHBondContact N-O 3.2Å; S177-Y183 VanDerWaalsContact N-O 3.13Å; A180-Y183 HydrophobicContact CB-CD2 4.33Å; A180-Y183 HydrophobicContact CB-CG 4.08Å; A180-Y183 PolarHBondContact O-N 3.47Å; Y183-Y187 AromaticContact CD2-CD1 3.67Å; Y183-Y187 HydrophobicContact CD2-CD1 3.67Å; Y183-Y187 AromaticContact CD2-CE1 3.6Å; Y183-Y187 HydrophobicContact CD2-CE1 3.6Å; Y183-Y187 HydrophobicContact CE2-CD1 4.1Å; Y183-Y187 AromaticContact CE2-CE1 3.55Å; Y183-Y187 HydrophobicContact CE2-CE1 3.55Å; Y183-Y187 HydrophobicContact CG-CD1 4.31Å; Y183-L188 HydrophobicContact CD2-CD2 3.82Å |
| 184 | S | 93.6 | Very high | 91.2 | Very high | 6 Ų | 6 | 28.6 Ų | 28.6 | 4% | 0.042 | 17% | 0.166 | C | C | . | . | B | Isolated β-bridge | trans | -72.4 | 141.4 | 172.7 | 75.7 | 0 | 0 | 0 | 0 | 109.8 | W167 S186 Y187 L188 | W167-S184 PolarHBondContact O-OG 3Å; S184-S186 PolarHBondContact O-N 3.41Å; S184-S186 PolarHBondContact OG-OG 2.67Å; S184-S186 VanDerWaalsContact OG-OG 3.06Å; S184-Y187 PolarHBondContact O-N 3.49Å; S184-Y187 VanDerWaalsContact O-N 3.16Å; S184-Y187 VanDerWaalsContact OG-CB 3.25Å; S184-Y187 WeakPolarHBondContact OG-CB 3.38Å; S184-Y187 PolarHBondContact OG-N 3.33Å; S184-Y187 VanDerWaalsContact OG-N 3.13Å; S184-L188 PolarHBondContact O-N 3.05Å; S184-L188 VanDerWaalsContact O-N 3.15Å |
| 185 | R | 92.6 | Very high | 91.5 | Very high | 58 Ų | 58 | 23.8 Ų | 23.8 | 22% | 0.219 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -55.3 | -40.2 | 173.2 | -74.2 | 175.5 | -165.5 | -172.6 | -10.8 | 112.1 | A175 C176 Y187 L188 V189 G263 N265 | A175-R185 WeakPolarHBondContact O-CG 3.48Å; A175-R185 PolarHBondContact O-N 2.93Å; C176-R185 PolarHBondContact O-NE 3.13Å; C176-R185 PolarHBondContact O-NH2 2.96Å; R185-Y187 VanDerWaalsContact C-N 3.34Å; R185-Y187 PolarHBondContact O-N 3.28Å; R185-L188 PolarHBondContact O-N 3.14Å; R185-V189 WeakPolarHBondContact O-CG2 3.5Å; R185-V189 PolarHBondContact O-N 3.15Å; R185-G263 WeakPolarHBondContact CB-O 3.41Å; R185-N265 VanDerWaalsContact CZ-CG 3.49Å; R185-N265 VanDerWaalsContact NH1-CB 3.35Å; R185-N265 PolarHBondContact NH1-ND2 3.19Å; R185-N265 PolarHBondContact NH1-OD1 3.28Å; R185-N265 PolarHBondContact NH2-OD1 2.83Å |
| 186 | S | 94.8 | Very high | 91.7 | Very high | 68 Ų | 68 | 24.4 Ų | 24.4 | 48% | 0.476 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -59.2 | -42.1 | 177.3 | 68.4 | 0 | 0 | 0 | 0 | 113.1 | W167 S184 V189 F190 | W167-S186 PolarHBondContact NE1-OG 3.41Å; S184-S186 PolarHBondContact O-N 3.41Å; S184-S186 PolarHBondContact OG-OG 2.67Å; S184-S186 VanDerWaalsContact OG-OG 3.06Å; S186-V189 PolarHBondContact O-N 2.96Å; S186-F190 WeakPolarHBondContact O-CB 3Å; S186-F190 PolarHBondContact O-N 3.48Å |
| 187 | Y | 94.4 | Very high | 91.8 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 0% | 0.004 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.2 | -44.1 | 176 | 171.3 | -98.7 | 0 | 0 | 0 | 111.3 | M159 V162 P163 W167 Y183 S184 R185 V189 F190 W191 | M159-Y187 PolarHBondContact O-OH 3.27Å; V162-Y187 HydrophobicContact CB-CE2 4.13Å; V162-Y187 HydrophobicContact CG1-CD2 4.13Å; V162-Y187 HydrophobicContact CG1-CE2 3.86Å; P163-Y187 HydrophobicContact CG-CD1 3.99Å; P163-Y187 HydrophobicContact CG-CD2 4.27Å; P163-Y187 HydrophobicContact CG-CE1 3.43Å; P163-Y187 VanDerWaalsContact CG-CE1 3.43Å; P163-Y187 HydrophobicContact CG-CE2 3.74Å; P163-Y187 HydrophobicContact CG-CG 4.38Å; P163-Y187 WeakPolarHBondContact CG-OH 3.45Å; W167-Y187 HydrophobicContact CB-CD2 4.46Å; W167-Y187 HydrophobicContact CD2-CD2 4.09Å; W167-Y187 HydrophobicContact CE3-CD2 4.2Å; W167-Y187 HydrophobicContact CG-CD2 4.22Å; Y183-Y187 AromaticContact CD2-CD1 3.67Å; Y183-Y187 HydrophobicContact CD2-CD1 3.67Å; Y183-Y187 AromaticContact CD2-CE1 3.6Å; Y183-Y187 HydrophobicContact CD2-CE1 3.6Å; Y183-Y187 HydrophobicContact CE2-CD1 4.1Å; Y183-Y187 AromaticContact CE2-CE1 3.55Å; Y183-Y187 HydrophobicContact CE2-CE1 3.55Å; Y183-Y187 HydrophobicContact CG-CD1 4.31Å; S184-Y187 PolarHBondContact O-N 3.49Å; S184-Y187 VanDerWaalsContact O-N 3.16Å; S184-Y187 VanDerWaalsContact OG-CB 3.25Å; S184-Y187 WeakPolarHBondContact OG-CB 3.38Å; S184-Y187 PolarHBondContact OG-N 3.33Å; S184-Y187 VanDerWaalsContact OG-N 3.13Å; R185-Y187 VanDerWaalsContact C-N 3.34Å; R185-Y187 PolarHBondContact O-N 3.28Å; Y187-V189 VanDerWaalsContact C-N 3.34Å; Y187-V189 PolarHBondContact O-N 3.35Å; Y187-F190 PolarHBondContact O-N 2.91Å; Y187-W191 HydrophobicContact CE1-CB 4.43Å; Y187-W191 HydrophobicContact CE2-CE3 4.32Å; Y187-W191 AromaticContact CZ-CE3 3.91Å; Y187-W191 VanDerWaalsContact O-CB 3.26Å; Y187-W191 WeakPolarHBondContact O-CB 3.34Å; Y187-W191 PolarHBondContact O-N 2.99Å; Y187-W191 VanDerWaalsContact OH-CE3 3.32Å; Y187-W191 WeakPolarHBondContact OH-CZ3 3.28Å |
| 188 | L | 93.2 | Very high | 91.9 | Very high | 5 Ų | 5 | 29.2 Ų | 29.2 | 3% | 0.026 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.2 | -42.1 | 177.4 | -70.2 | -174.7 | 0 | 0 | 0 | 112.3 | S177 Y183 S184 R185 W191 S192 L259 | S177-L188 WeakPolarHBondContact OG-CD1 3.36Å; Y183-L188 HydrophobicContact CD2-CD2 3.82Å; S184-L188 PolarHBondContact O-N 3.05Å; S184-L188 VanDerWaalsContact O-N 3.15Å; R185-L188 PolarHBondContact O-N 3.14Å; L188-W191 PolarHBondContact O-N 2.9Å; L188-S192 VanDerWaalsContact O-CB 3.28Å; L188-S192 WeakPolarHBondContact O-CB 3.42Å; L188-S192 PolarHBondContact O-N 2.73Å; L188-S192 PolarHBondContact O-OG 2.82Å; L188-S192 VanDerWaalsContact O-OG 3.13Å; L188-L259 HydrophobicContact CD2-CD2 4.26Å |
| 189 | V | 95.3 | Very high | 92.2 | Very high | 40 Ų | 40 | 27.8 Ų | 27.8 | 24% | 0.242 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.7 | -50.6 | 175.4 | 173.7 | 0 | 0 | 0 | 0 | 110.4 | R185 S186 Y187 W191 S192 V193 L260 L264 | R185-V189 WeakPolarHBondContact O-CG2 3.5Å; R185-V189 PolarHBondContact O-N 3.15Å; S186-V189 PolarHBondContact O-N 2.96Å; Y187-V189 VanDerWaalsContact C-N 3.34Å; Y187-V189 PolarHBondContact O-N 3.35Å; V189-W191 PolarHBondContact O-N 2.7Å; V189-S192 PolarHBondContact O-N 3.47Å; V189-V193 HydrophobicContact CG1-CG2 4.24Å; V189-V193 WeakPolarHBondContact O-CB 3.18Å; V189-V193 VanDerWaalsContact O-CG2 3.24Å; V189-V193 WeakPolarHBondContact O-CG2 3.36Å; V189-V193 PolarHBondContact O-N 3.16Å; V189-L260 HydrophobicContact CB-CD1 4.39Å; V189-L260 HydrophobicContact CG1-CD1 4.04Å; V189-L260 HydrophobicContact CG2-CD1 4.31Å; V189-L264 HydrophobicContact CG2-CD2 4.25Å; V189-L264 HydrophobicContact CG2-CG 4.45Å |
| 190 | F | 95.6 | Very high | 92.6 | Very high | 85 Ų | 85 | 34.1 Ų | 34.1 | 37% | 0.373 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -55.6 | -50.6 | 177.5 | 166.7 | -101.2 | 0 | 0 | 0 | 111.7 | M159 W167 S186 Y187 L194 | M159-F190 HydrophobicContact CE-CE1 4.07Å; W167-F190 HydrophobicContact CH2-CB 4.08Å; W167-F190 AromaticContact CH2-CD1 3.92Å; W167-F190 HydrophobicContact CH2-CD1 3.92Å; W167-F190 HydrophobicContact CH2-CD2 4.21Å; W167-F190 HydrophobicContact CH2-CE1 4.44Å; W167-F190 AromaticContact CH2-CG 3.79Å; W167-F190 HydrophobicContact CH2-CG 3.79Å; W167-F190 HydrophobicContact CZ2-CB 4.29Å; W167-F190 HydrophobicContact CZ2-CG 4.48Å; W167-F190 AromaticContact CZ3-CD1 3.98Å; W167-F190 HydrophobicContact CZ3-CD1 3.98Å; W167-F190 HydrophobicContact CZ3-CE1 4.18Å; W167-F190 HydrophobicContact CZ3-CG 4.31Å; S186-F190 WeakPolarHBondContact O-CB 3Å; S186-F190 PolarHBondContact O-N 3.48Å; Y187-F190 PolarHBondContact O-N 2.91Å; F190-L194 HydrophobicContact CE1-CD2 4.36Å; F190-L194 HydrophobicContact CZ-CD2 4.13Å; F190-L194 VanDerWaalsContact O-CB 3.25Å; F190-L194 WeakPolarHBondContact O-CB 3.4Å; F190-L194 PolarHBondContact O-N 2.94Å |
| 191 | W | 94.3 | Very high | 92.7 | Very high | 5 Ų | 5 | 37.6 Ų | 37.6 | 2% | 0.019 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.2 | -52.7 | 179.5 | -177.9 | -99.3 | 0 | 0 | 0 | 111.8 | D110 L113 T114 M159 Y187 L188 V189 V193 L194 N195 | D110-W191 HydrophobicContact CB-CH2 4.11Å; D110-W191 HydrophobicContact CB-CZ2 4.07Å; L113-W191 HydrophobicContact CD2-CZ2 4.28Å; T114-W191 WeakPolarHBondContact OG1-CH2 3.24Å; T114-W191 WeakPolarHBondContact OG1-CZ2 3.47Å; M159-W191 HydrophobicContact CB-CH2 3.95Å; M159-W191 HydrophobicContact CB-CZ3 3.72Å; M159-W191 HydrophobicContact CE-CE3 3.56Å; M159-W191 HydrophobicContact CE-CH2 4.36Å; M159-W191 HydrophobicContact CE-CZ3 3.31Å; M159-W191 HydrophobicContact CG-CZ3 4.37Å; M159-W191 HydrophobicContact SD-CZ3 4.48Å; Y187-W191 HydrophobicContact CE1-CB 4.43Å; Y187-W191 HydrophobicContact CE2-CE3 4.32Å; Y187-W191 AromaticContact CZ-CE3 3.91Å; Y187-W191 VanDerWaalsContact O-CB 3.26Å; Y187-W191 WeakPolarHBondContact O-CB 3.34Å; Y187-W191 PolarHBondContact O-N 2.99Å; Y187-W191 VanDerWaalsContact OH-CE3 3.32Å; Y187-W191 WeakPolarHBondContact OH-CZ3 3.28Å; L188-W191 PolarHBondContact O-N 2.9Å; V189-W191 PolarHBondContact O-N 2.7Å; W191-V193 PolarHBondContact O-N 3.18Å; W191-L194 PolarHBondContact O-N 2.84Å; W191-N195 PolarHBondContact NE1-ND2 2.91Å; W191-N195 VanDerWaalsContact NE1-ND2 3.17Å; W191-N195 PolarHBondContact O-N 3.11Å; W191-N195 PolarHBondContact O-ND2 2.92Å |
| 192 | S | 93.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.7 | -43.9 | -177.6 | -69.1 | 0 | 0 | 0 | 0 | 111.9 | L188 V189 N195 L196 L256 L259 L260 | L188-S192 VanDerWaalsContact O-CB 3.28Å; L188-S192 WeakPolarHBondContact O-CB 3.42Å; L188-S192 PolarHBondContact O-N 2.73Å; L188-S192 PolarHBondContact O-OG 2.82Å; L188-S192 VanDerWaalsContact O-OG 3.13Å; V189-S192 PolarHBondContact O-N 3.47Å; S192-N195 PolarHBondContact O-N 3.43Å; S192-L196 WeakPolarHBondContact O-CB 3.36Å; S192-L196 WeakPolarHBondContact O-CG 3.25Å; S192-L196 PolarHBondContact O-N 2.98Å; S192-L256 WeakPolarHBondContact CB-O 3.47Å; S192-L256 PolarHBondContact OG-O 3.38Å; S192-L259 VanDerWaalsContact OG-CB 3.27Å; S192-L259 WeakPolarHBondContact OG-CB 3.44Å; S192-L260 PolarHBondContact OG-N 3.45Å |
| 193 | V | 95.4 | Very high | 92.6 | Very high | 68 Ų | 68 | 40.4 Ų | 40.4 | 41% | 0.412 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.2 | -46.2 | 177.6 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | V189 W191 N195 L196 V197 L260 | V189-V193 HydrophobicContact CG1-CG2 4.24Å; V189-V193 WeakPolarHBondContact O-CB 3.18Å; V189-V193 VanDerWaalsContact O-CG2 3.24Å; V189-V193 WeakPolarHBondContact O-CG2 3.36Å; V189-V193 PolarHBondContact O-N 3.16Å; W191-V193 PolarHBondContact O-N 3.18Å; V193-N195 VanDerWaalsContact C-N 3.33Å; V193-N195 PolarHBondContact O-N 3.26Å; V193-L196 PolarHBondContact O-N 2.99Å; V193-V197 HydrophobicContact CG1-CG2 4.3Å; V193-V197 WeakPolarHBondContact O-CB 3.41Å; V193-V197 VanDerWaalsContact O-CG2 3.3Å; V193-V197 WeakPolarHBondContact O-CG2 3.38Å; V193-V197 PolarHBondContact O-N 3.46Å; V193-L260 HydrophobicContact CG2-CD1 3.9Å |
| 194 | L | 94.3 | Very high | 92.4 | Very high | 68 Ų | 68 | 43.1 Ų | 43.1 | 36% | 0.356 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -56.1 | -48.5 | 177.9 | 179.1 | 66.9 | 0 | 0 | 0 | 111.2 | M159 F190 W191 V197 V198 | M159-L194 HydrophobicContact CE-CD2 3.54Å; F190-L194 HydrophobicContact CE1-CD2 4.36Å; F190-L194 HydrophobicContact CZ-CD2 4.13Å; F190-L194 VanDerWaalsContact O-CB 3.25Å; F190-L194 WeakPolarHBondContact O-CB 3.4Å; F190-L194 PolarHBondContact O-N 2.94Å; W191-L194 PolarHBondContact O-N 2.84Å; L194-V197 PolarHBondContact O-N 3.32Å; L194-V198 WeakPolarHBondContact O-CG2 3.46Å; L194-V198 PolarHBondContact O-N 3.34Å |
| 195 | N | 92.6 | Very high | 91.9 | Very high | 8 Ų | 8 | 44.6 Ų | 44.6 | 4% | 0.043 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.6 | -39.8 | -179.2 | -74.6 | -65.7 | 0 | 0 | 0 | 112.7 | L117 W191 S192 V193 V198 F199 L256 | L117-N195 WeakPolarHBondContact CD1-OD1 3.41Å; W191-N195 PolarHBondContact NE1-ND2 2.91Å; W191-N195 VanDerWaalsContact NE1-ND2 3.17Å; W191-N195 PolarHBondContact O-N 3.11Å; W191-N195 PolarHBondContact O-ND2 2.92Å; S192-N195 PolarHBondContact O-N 3.43Å; V193-N195 VanDerWaalsContact C-N 3.33Å; V193-N195 PolarHBondContact O-N 3.26Å; N195-V198 PolarHBondContact O-N 2.88Å; N195-F199 PolarHBondContact O-N 2.85Å; N195-L256 HydrophobicContact CB-CD1 3.62Å; N195-L256 HydrophobicContact CB-CD2 3.86Å; N195-L256 HydrophobicContact CB-CG 4.41Å |
| 196 | L | 93.6 | Very high | 91.3 | Very high | 45 Ų | 45 | 42.8 Ų | 42.8 | 24% | 0.236 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.5 | -38.9 | 175.4 | -72.9 | 169.3 | 0 | 0 | 0 | 112 | S192 V193 F199 F200 T253 L256 V257 L260 | S192-L196 WeakPolarHBondContact O-CB 3.36Å; S192-L196 WeakPolarHBondContact O-CG 3.25Å; S192-L196 PolarHBondContact O-N 2.98Å; V193-L196 PolarHBondContact O-N 2.99Å; L196-F199 PolarHBondContact O-N 3.33Å; L196-F200 WeakPolarHBondContact O-CB 3.46Å; L196-F200 PolarHBondContact O-N 3.07Å; L196-T253 HydrophobicContact CD2-CG2 4.2Å; L196-L256 HydrophobicContact CD2-CB 4.09Å; L196-L256 HydrophobicContact CD2-CD1 4.23Å; L196-L256 HydrophobicContact CG-CB 4.18Å; L196-L256 HydrophobicContact CG-CD1 4.35Å; L196-V257 HydrophobicContact CD2-CG2 4.49Å; L196-L260 HydrophobicContact CD1-CD2 4.08Å |
| 197 | V | 93.4 | Very high | 90.8 | Very high | 73 Ų | 73 | 43.9 Ų | 43.9 | 44% | 0.442 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.8 | -43.1 | 174.1 | 169 | 0 | 0 | 0 | 0 | 110.7 | V193 L194 F199 F200 I201 | V193-V197 HydrophobicContact CG1-CG2 4.3Å; V193-V197 WeakPolarHBondContact O-CB 3.41Å; V193-V197 VanDerWaalsContact O-CG2 3.3Å; V193-V197 WeakPolarHBondContact O-CG2 3.38Å; V193-V197 PolarHBondContact O-N 3.46Å; L194-V197 PolarHBondContact O-N 3.32Å; V197-F199 VanDerWaalsContact C-N 3.34Å; V197-F199 PolarHBondContact O-N 3.36Å; V197-F200 WeakPolarHBondContact O-CB 3.46Å; V197-F200 PolarHBondContact O-N 3.38Å; V197-I201 HydrophobicContact CG1-CD1 3.87Å; V197-I201 HydrophobicContact CG1-CG1 4.46Å; V197-I201 VanDerWaalsContact O-CG1 3.31Å; V197-I201 WeakPolarHBondContact O-CG1 3.36Å; V197-I201 PolarHBondContact O-N 3.27Å |
| 198 | V | 90.8 | Very high | 90.3 | Very high | 30 Ų | 30 | 51.5 Ų | 51.5 | 18% | 0.182 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.7 | -43.7 | 175.1 | 171.3 | 0 | 0 | 0 | 0 | 111 | L194 N195 F200 I201 M202 | L194-V198 WeakPolarHBondContact O-CG2 3.46Å; L194-V198 PolarHBondContact O-N 3.34Å; N195-V198 PolarHBondContact O-N 2.88Å; V198-F200 PolarHBondContact O-N 3.06Å; V198-I201 PolarHBondContact O-N 2.89Å; V198-M202 HydrophobicContact CG1-CE 3.55Å; V198-M202 WeakPolarHBondContact O-CG 3.4Å; V198-M202 PolarHBondContact O-N 2.88Å |
| 199 | F | 90.8 | Very high | 89.7 | Confident | 5 Ų | 5 | 51.6 Ų | 51.6 | 2% | 0.022 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.7 | -45 | 173.6 | -76 | -10.2 | 0 | 0 | 0 | 113 | L117 N195 L196 V197 I201 M202 V203 F248 V249 W252 L256 | L117-F199 HydrophobicContact CD2-CD1 3.89Å; L117-F199 HydrophobicContact CD2-CE1 3.17Å; L117-F199 HydrophobicContact CD2-CZ 3.89Å; N195-F199 PolarHBondContact O-N 2.85Å; L196-F199 PolarHBondContact O-N 3.33Å; V197-F199 VanDerWaalsContact C-N 3.34Å; V197-F199 PolarHBondContact O-N 3.36Å; F199-I201 PolarHBondContact O-N 2.95Å; F199-M202 PolarHBondContact O-N 3.06Å; F199-V203 WeakPolarHBondContact O-CG2 3.33Å; F199-V203 PolarHBondContact O-N 3.05Å; F199-F248 AromaticContact CE1-CD1 3.44Å; F199-F248 HydrophobicContact CE1-CD1 3.44Å; F199-F248 VanDerWaalsContact CE1-CD1 3.44Å; F199-F248 AromaticContact CE1-CE1 3.45Å; F199-F248 HydrophobicContact CE1-CE1 3.45Å; F199-F248 VanDerWaalsContact CE1-CE1 3.45Å; F199-F248 AromaticContact CZ-CD1 3.56Å; F199-F248 HydrophobicContact CZ-CD1 3.56Å; F199-F248 AromaticContact CZ-CE1 3.47Å; F199-F248 HydrophobicContact CZ-CE1 3.47Å; F199-F248 VanDerWaalsContact CZ-CE1 3.47Å; F199-V249 HydrophobicContact CB-CG2 4.32Å; F199-V249 HydrophobicContact CD1-CG2 3.95Å; F199-V249 HydrophobicContact CD2-CG1 4.32Å; F199-V249 HydrophobicContact CD2-CG2 4.43Å; F199-V249 HydrophobicContact CE1-CG2 4.25Å; F199-V249 HydrophobicContact CG-CG2 4.02Å; F199-W252 HydrophobicContact CE2-CB 3.79Å; F199-W252 HydrophobicContact CZ-CB 3.65Å; F199-W252 HydrophobicContact CZ-CG 4.48Å; F199-L256 HydrophobicContact CD2-CD1 3.91Å; F199-L256 HydrophobicContact CE2-CD1 3.45Å; F199-L256 VanDerWaalsContact CE2-CD1 3.45Å; F199-L256 HydrophobicContact CZ-CD1 4.15Å |
| 200 | F | 90.6 | Very high | 89 | Confident | 141 Ų | 141 | 54.9 Ų | 54.9 | 62% | 0.618 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -59.2 | -47.4 | 176.6 | 178.6 | -101.6 | 0 | 0 | 0 | 111.4 | L196 V197 V198 M202 V203 V204 | L196-F200 WeakPolarHBondContact O-CB 3.46Å; L196-F200 PolarHBondContact O-N 3.07Å; V197-F200 WeakPolarHBondContact O-CB 3.46Å; V197-F200 PolarHBondContact O-N 3.38Å; V198-F200 PolarHBondContact O-N 3.06Å; F200-M202 PolarHBondContact O-N 3.28Å; F200-V203 PolarHBondContact O-N 3.16Å; F200-V204 HydrophobicContact CD1-CG2 4.36Å; F200-V204 HydrophobicContact CE1-CG2 3.94Å; F200-V204 HydrophobicContact CE2-CG2 4.14Å; F200-V204 HydrophobicContact CZ-CG2 3.83Å; F200-V204 WeakPolarHBondContact O-CG2 3.24Å; F200-V204 PolarHBondContact O-N 3.4Å |
| 201 | I | 89 | Confident | 88.4 | Confident | 80 Ų | 80 | 54 Ų | 54 | 41% | 0.41 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.3 | -46.6 | 176.8 | -68 | 166.5 | 0 | 0 | 0 | 110.7 | V197 V198 F199 V203 V204 V205 | V197-I201 HydrophobicContact CG1-CD1 3.87Å; V197-I201 HydrophobicContact CG1-CG1 4.46Å; V197-I201 VanDerWaalsContact O-CG1 3.31Å; V197-I201 WeakPolarHBondContact O-CG1 3.36Å; V197-I201 PolarHBondContact O-N 3.27Å; V198-I201 PolarHBondContact O-N 2.89Å; F199-I201 PolarHBondContact O-N 2.95Å; I201-V203 PolarHBondContact O-N 3.48Å; I201-V204 PolarHBondContact O-N 3.44Å; I201-V205 HydrophobicContact CG2-CG2 4.41Å; I201-V205 WeakPolarHBondContact O-CG2 3.41Å; I201-V205 PolarHBondContact O-N 3.16Å |
| 202 | M | 86.3 | Confident | 87.8 | Confident | 3 Ų | 3 | 56.7 Ų | 56.7 | 2% | 0.015 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -56.3 | -53.2 | 176.4 | -73.1 | -167.2 | -158.4 | 0 | 0 | 110.7 | L117 L120 L121 V198 F199 F200 V204 V205 Y206 L245 | L117-M202 HydrophobicContact CD2-CE 4.45Å; L117-M202 VanDerWaalsContact O-CE 3.23Å; L117-M202 WeakPolarHBondContact O-CE 3.47Å; L120-M202 HydrophobicContact CB-CE 4.02Å; L120-M202 HydrophobicContact CB-SD 4.25Å; L121-M202 HydrophobicContact CB-CE 3.69Å; L121-M202 HydrophobicContact CD1-CE 4.41Å; L121-M202 HydrophobicContact CD1-CG 4.15Å; V198-M202 HydrophobicContact CG1-CE 3.55Å; V198-M202 WeakPolarHBondContact O-CG 3.4Å; V198-M202 PolarHBondContact O-N 2.88Å; F199-M202 PolarHBondContact O-N 3.06Å; F200-M202 PolarHBondContact O-N 3.28Å; M202-V204 VanDerWaalsContact C-N 3.32Å; M202-V204 PolarHBondContact O-N 3.33Å; M202-V205 PolarHBondContact O-N 3.41Å; M202-V205 VanDerWaalsContact O-N 3.14Å; M202-Y206 HydrophobicContact CB-CD2 4.29Å; M202-Y206 HydrophobicContact CB-CE2 4.16Å; M202-Y206 WeakPolarHBondContact O-CD2 3.43Å; M202-Y206 PolarHBondContact O-N 2.93Å; M202-L245 HydrophobicContact SD-CD2 3.85Å |
| 203 | V | 87.3 | Confident | 86.9 | Confident | 58 Ų | 58 | 57.9 Ų | 57.9 | 35% | 0.352 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -55.5 | -46.4 | -179.8 | 170.2 | 0 | 0 | 0 | 0 | 111.2 | F199 F200 I201 V205 Y206 I207 V249 | F199-V203 WeakPolarHBondContact O-CG2 3.33Å; F199-V203 PolarHBondContact O-N 3.05Å; F200-V203 PolarHBondContact O-N 3.16Å; I201-V203 PolarHBondContact O-N 3.48Å; V203-V205 PolarHBondContact O-N 3.31Å; V203-Y206 PolarHBondContact O-N 3.43Å; V203-I207 HydrophobicContact CG1-CD1 3.63Å; V203-I207 HydrophobicContact CG1-CG1 4.27Å; V203-I207 VanDerWaalsContact O-CG1 3.28Å; V203-I207 WeakPolarHBondContact O-CG1 3.41Å; V203-I207 PolarHBondContact O-N 3Å; V203-V249 HydrophobicContact CG2-CG2 4.46Å |
| 204 | V | 87.9 | Confident | 86 | Confident | 58 Ų | 58 | 57.6 Ų | 57.6 | 35% | 0.352 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.3 | -47.4 | 177.6 | 171.4 | 0 | 0 | 0 | 0 | 111.5 | F200 I201 M202 Y206 I207 R208 | F200-V204 HydrophobicContact CD1-CG2 4.36Å; F200-V204 HydrophobicContact CE1-CG2 3.94Å; F200-V204 HydrophobicContact CE2-CG2 4.14Å; F200-V204 HydrophobicContact CZ-CG2 3.83Å; F200-V204 WeakPolarHBondContact O-CG2 3.24Å; F200-V204 PolarHBondContact O-N 3.4Å; I201-V204 PolarHBondContact O-N 3.44Å; M202-V204 VanDerWaalsContact C-N 3.32Å; M202-V204 PolarHBondContact O-N 3.33Å; V204-Y206 VanDerWaalsContact C-N 3.28Å; V204-Y206 PolarHBondContact O-N 3.35Å; V204-I207 PolarHBondContact O-N 2.75Å; V204-R208 WeakPolarHBondContact O-CB 3.48Å; V204-R208 VanDerWaalsContact O-CG 3.24Å; V204-R208 WeakPolarHBondContact O-CG 3.48Å; V204-R208 PolarHBondContact O-N 3.24Å |
| 205 | V | 84 | Confident | 85.3 | Confident | 38 Ų | 38 | 62.8 Ų | 62.8 | 23% | 0.23 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59 | -41.4 | 176.8 | 169.7 | 0 | 0 | 0 | 0 | 110.7 | H128 I201 M202 V203 R208 I209 | H128-V205 HydrophobicContact CB-CG1 4.21Å; I201-V205 HydrophobicContact CG2-CG2 4.41Å; I201-V205 WeakPolarHBondContact O-CG2 3.41Å; I201-V205 PolarHBondContact O-N 3.16Å; M202-V205 PolarHBondContact O-N 3.41Å; M202-V205 VanDerWaalsContact O-N 3.14Å; V203-V205 PolarHBondContact O-N 3.31Å; V205-R208 WeakPolarHBondContact O-CB 3.5Å; V205-R208 PolarHBondContact O-N 3.41Å; V205-I209 HydrophobicContact CG1-CD1 3.76Å; V205-I209 HydrophobicContact CG1-CG1 4.44Å; V205-I209 VanDerWaalsContact O-CG1 3.25Å; V205-I209 WeakPolarHBondContact O-CG1 3.28Å; V205-I209 PolarHBondContact O-N 2.86Å |
| 206 | Y | 79.6 | Confident | 84.5 | Confident | 20 Ų | 20 | 66.4 Ų | 66.4 | 8% | 0.078 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -71.4 | -40.1 | 179.8 | -76 | -64.4 | 0 | 0 | 0 | 114 | A124 M202 V203 V204 R208 I209 Y210 V241 M242 L245 | A124-Y206 WeakPolarHBondContact CA-OH 3.42Å; A124-Y206 HydrophobicContact CB-CE2 3.7Å; A124-Y206 VanDerWaalsContact CB-CZ 3.47Å; A124-Y206 WeakPolarHBondContact CB-OH 3.39Å; A124-Y206 PolarHBondContact N-OH 3.16Å; M202-Y206 HydrophobicContact CB-CD2 4.29Å; M202-Y206 HydrophobicContact CB-CE2 4.16Å; M202-Y206 WeakPolarHBondContact O-CD2 3.43Å; M202-Y206 PolarHBondContact O-N 2.93Å; V203-Y206 PolarHBondContact O-N 3.43Å; V204-Y206 VanDerWaalsContact C-N 3.28Å; V204-Y206 PolarHBondContact O-N 3.35Å; Y206-R208 VanDerWaalsContact C-N 3.26Å; Y206-R208 PolarHBondContact O-N 3.47Å; Y206-I209 HydrophobicContact CD1-CD1 4.29Å; Y206-I209 HydrophobicContact CE1-CD1 4.34Å; Y206-I209 PolarHBondContact O-N 3.28Å; Y206-Y210 VanDerWaalsContact O-CB 3.26Å; Y206-Y210 WeakPolarHBondContact O-CB 3.37Å; Y206-Y210 PolarHBondContact O-N 3.33Å; Y206-V241 HydrophobicContact CE1-CG1 4.24Å; Y206-M242 HydrophobicContact CD1-CG 3.88Å; Y206-M242 HydrophobicContact CE1-CG 4.48Å; Y206-L245 HydrophobicContact CD1-CD1 4.34Å; Y206-L245 HydrophobicContact CD2-CD1 4.16Å; Y206-L245 HydrophobicContact CE1-CD1 3.54Å; Y206-L245 HydrophobicContact CE2-CB 4.37Å; Y206-L245 HydrophobicContact CE2-CD1 3.4Å; Y206-L245 VanDerWaalsContact CE2-CD1 3.4Å; Y206-L245 HydrophobicContact CE2-CD2 3.95Å; Y206-L245 HydrophobicContact CE2-CG 4.15Å; Y206-L245 WeakPolarHBondContact OH-CD1 3.02Å |
| 207 | I | 83.9 | Confident | 83.4 | Confident | 90 Ų | 90 | 67 Ų | 67 | 46% | 0.462 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.4 | -43.3 | 173.5 | -66.1 | 168.3 | 0 | 0 | 0 | 109.1 | V203 V204 Y210 M211 | V203-I207 HydrophobicContact CG1-CD1 3.63Å; V203-I207 HydrophobicContact CG1-CG1 4.27Å; V203-I207 VanDerWaalsContact O-CG1 3.28Å; V203-I207 WeakPolarHBondContact O-CG1 3.41Å; V203-I207 PolarHBondContact O-N 3Å; V204-I207 PolarHBondContact O-N 2.75Å; I207-Y210 PolarHBondContact O-N 3.16Å; I207-M211 HydrophobicContact CG2-CE 3.94Å; I207-M211 HydrophobicContact CG2-CG 4.32Å; I207-M211 HydrophobicContact CG2-SD 4.18Å; I207-M211 WeakPolarHBondContact O-CB 3.48Å; I207-M211 VanDerWaalsContact O-CG 3.27Å; I207-M211 WeakPolarHBondContact O-CG 3.47Å; I207-M211 PolarHBondContact O-N 2.93Å |
| 208 | R | 85.3 | Confident | 82.2 | Confident | 162 Ų | 162 | 69 Ų | 69 | 61% | 0.611 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -60.2 | -47.6 | 175.8 | -71.6 | -75.9 | -173.8 | 177.1 | 0.8 | 112.3 | V204 V205 Y206 Y212 | V204-R208 WeakPolarHBondContact O-CB 3.48Å; V204-R208 VanDerWaalsContact O-CG 3.24Å; V204-R208 WeakPolarHBondContact O-CG 3.48Å; V204-R208 PolarHBondContact O-N 3.24Å; V205-R208 WeakPolarHBondContact O-CB 3.5Å; V205-R208 PolarHBondContact O-N 3.41Å; Y206-R208 VanDerWaalsContact C-N 3.26Å; Y206-R208 PolarHBondContact O-N 3.47Å; R208-Y212 WeakPolarHBondContact O-CB 3.37Å; R208-Y212 PolarHBondContact O-N 3.13Å |
| 209 | I | 79.9 | Confident | 81.3 | Confident | 6 Ų | 6 | 72.9 Ų | 72.9 | 3% | 0.031 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.4 | -47.9 | 177.5 | -68.8 | 165.7 | 0 | 0 | 0 | 110.4 | H128 V131 V205 Y206 Y212 V213 | H128-I209 HydrophobicContact CB-CD1 3.99Å; H128-I209 HydrophobicContact CB-CG1 4.47Å; V131-I209 HydrophobicContact CG2-CG2 4.28Å; V205-I209 HydrophobicContact CG1-CD1 3.76Å; V205-I209 HydrophobicContact CG1-CG1 4.44Å; V205-I209 VanDerWaalsContact O-CG1 3.25Å; V205-I209 WeakPolarHBondContact O-CG1 3.28Å; V205-I209 PolarHBondContact O-N 2.86Å; Y206-I209 HydrophobicContact CD1-CD1 4.29Å; Y206-I209 HydrophobicContact CE1-CD1 4.34Å; Y206-I209 PolarHBondContact O-N 3.28Å; I209-Y212 PolarHBondContact O-N 2.99Å; I209-V213 HydrophobicContact CG2-CG2 4.41Å; I209-V213 WeakPolarHBondContact O-CG2 3.17Å; I209-V213 PolarHBondContact O-N 3.36Å |
| 210 | Y | 80.4 | Confident | 80 | Confident | 109 Ų | 109 | 76.4 Ų | 76.4 | 43% | 0.427 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.5 | -49.3 | -179 | 179.5 | -99.3 | 0 | 0 | 0 | 111.9 | Y206 I207 Y212 V213 Q214 M242 | Y206-Y210 VanDerWaalsContact O-CB 3.26Å; Y206-Y210 WeakPolarHBondContact O-CB 3.37Å; Y206-Y210 PolarHBondContact O-N 3.33Å; I207-Y210 PolarHBondContact O-N 3.16Å; Y210-Y212 VanDerWaalsContact C-N 3.34Å; Y210-Y212 PolarHBondContact O-N 3.31Å; Y210-V213 PolarHBondContact O-N 3.05Å; Y210-Q214 HydrophobicContact CD1-CG 4.21Å; Y210-Q214 HydrophobicContact CD2-CG 4.42Å; Y210-Q214 HydrophobicContact CE1-CG 3.82Å; Y210-Q214 HydrophobicContact CE2-CG 4.08Å; Y210-Q214 HydrophobicContact CG-CG 4.5Å; Y210-Q214 WeakPolarHBondContact O-CB 3.38Å; Y210-Q214 WeakPolarHBondContact O-CG 3.35Å; Y210-Q214 PolarHBondContact O-N 3.33Å; Y210-Q214 PolarHBondContact OH-NE2 2.78Å; Y210-M242 HydrophobicContact CD2-CE 3.64Å; Y210-M242 HydrophobicContact CD2-SD 4.06Å; Y210-M242 HydrophobicContact CG-CE 3.94Å |
| 211 | M | 83.1 | Confident | 78.4 | Confident | 67 Ų | 67 | 73.9 Ų | 73.9 | 33% | 0.33 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.5 | -42.8 | 176.7 | -71.8 | -169.9 | -56.3 | 0 | 0 | 111.8 | I207 Q214 R215 | I207-M211 HydrophobicContact CG2-CE 3.94Å; I207-M211 HydrophobicContact CG2-CG 4.32Å; I207-M211 HydrophobicContact CG2-SD 4.18Å; I207-M211 WeakPolarHBondContact O-CB 3.48Å; I207-M211 VanDerWaalsContact O-CG 3.27Å; I207-M211 WeakPolarHBondContact O-CG 3.47Å; I207-M211 PolarHBondContact O-N 2.93Å; M211-Q214 PolarHBondContact O-N 3.24Å; M211-R215 WeakPolarHBondContact O-CB 3.23Å; M211-R215 VanDerWaalsContact O-CG 3.26Å; M211-R215 WeakPolarHBondContact O-CG 3.47Å; M211-R215 PolarHBondContact O-N 2.9Å |
| 212 | Y | 81.6 | Confident | 76.8 | Confident | 61 Ų | 61 | 74 Ų | 74 | 24% | 0.239 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.5 | -46.1 | 178 | 173 | -96.2 | 0 | 0 | 0 | 111.9 | V131 M132 R208 I209 Y210 K216 | V131-Y212 HydrophobicContact CG1-CD1 3.39Å; V131-Y212 HydrophobicContact CG1-CE1 3.4Å; M132-Y212 HydrophobicContact SD-CE2 4.42Å; R208-Y212 WeakPolarHBondContact O-CB 3.37Å; R208-Y212 PolarHBondContact O-N 3.13Å; I209-Y212 PolarHBondContact O-N 2.99Å; Y210-Y212 VanDerWaalsContact C-N 3.34Å; Y210-Y212 PolarHBondContact O-N 3.31Å; Y212-K216 HydrophobicContact CE1-CD 4.15Å; Y212-K216 HydrophobicContact CE2-CD 4.4Å; Y212-K216 PolarHBondContact O-N 2.89Å; Y212-K216 VanDerWaalsContact O-N 3.09Å; Y212-K216 WeakPolarHBondContact OH-CE 2.97Å; Y212-K216 PolarHBondContact OH-NZ 3.27Å |
| 213 | V | 74.9 | Confident | 75.4 | Confident | 25 Ų | 25 | 81.9 Ų | 81.9 | 15% | 0.152 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -63 | -47.9 | 178.1 | 172.2 | 0 | 0 | 0 | 0 | 110.5 | V131 I209 Y210 R215 K216 T217 V235 M238 | V131-V213 HydrophobicContact CG1-CG2 4.48Å; I209-V213 HydrophobicContact CG2-CG2 4.41Å; I209-V213 WeakPolarHBondContact O-CG2 3.17Å; I209-V213 PolarHBondContact O-N 3.36Å; Y210-V213 PolarHBondContact O-N 3.05Å; V213-R215 PolarHBondContact O-N 3.12Å; V213-K216 PolarHBondContact O-N 2.83Å; V213-T217 HydrophobicContact CG1-CG2 4.27Å; V213-T217 WeakPolarHBondContact O-CG2 3.28Å; V213-T217 PolarHBondContact O-N 3.29Å; V213-T217 PolarHBondContact O-OG1 3.38Å; V213-T217 VanDerWaalsContact O-OG1 3.07Å; V213-V235 HydrophobicContact CG1-CG2 4.01Å; V213-M238 HydrophobicContact CG2-SD 4.05Å |
| 214 | Q | 77.8 | Confident | 74 | Confident | 63 Ų | 63 | 83 Ų | 83 | 29% | 0.294 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61 | -42.4 | -179.4 | -73.6 | -70.4 | 15.7 | 0 | 0 | 112.6 | Y210 M211 K216 T217 N218 | Y210-Q214 HydrophobicContact CD1-CG 4.21Å; Y210-Q214 HydrophobicContact CD2-CG 4.42Å; Y210-Q214 HydrophobicContact CE1-CG 3.82Å; Y210-Q214 HydrophobicContact CE2-CG 4.08Å; Y210-Q214 HydrophobicContact CG-CG 4.5Å; Y210-Q214 WeakPolarHBondContact O-CB 3.38Å; Y210-Q214 WeakPolarHBondContact O-CG 3.35Å; Y210-Q214 PolarHBondContact O-N 3.33Å; Y210-Q214 PolarHBondContact OH-NE2 2.78Å; M211-Q214 PolarHBondContact O-N 3.24Å; Q214-K216 PolarHBondContact O-N 3.22Å; Q214-T217 VanDerWaalsContact CA-OG1 3.31Å; Q214-T217 WeakPolarHBondContact CA-OG1 3.43Å; Q214-T217 PolarHBondContact O-N 3.04Å; Q214-T217 PolarHBondContact O-OG1 3.2Å; Q214-N218 WeakPolarHBondContact O-CB 3.42Å; Q214-N218 PolarHBondContact O-N 3.06Å; Q214-N218 PolarHBondContact O-ND2 3.49Å; Q214-N218 PolarHBondContact O-OD1 3.41Å |
| 215 | R | 79.3 | Confident | 72.5 | Confident | 176 Ų | 176 | 85.7 Ų | 85.7 | 66% | 0.664 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -60.7 | -46.8 | 174.9 | -73.3 | 175.1 | -176.3 | -178.7 | 0.7 | 111.2 | M211 V213 N218 V219 | M211-R215 WeakPolarHBondContact O-CB 3.23Å; M211-R215 VanDerWaalsContact O-CG 3.26Å; M211-R215 WeakPolarHBondContact O-CG 3.47Å; M211-R215 PolarHBondContact O-N 2.9Å; V213-R215 PolarHBondContact O-N 3.12Å; R215-N218 PolarHBondContact O-N 3.24Å; R215-V219 VanDerWaalsContact O-CG2 3.29Å; R215-V219 WeakPolarHBondContact O-CG2 3.34Å; R215-V219 PolarHBondContact O-N 3.2Å; R215-V219 VanDerWaalsContact O-N 3.11Å |
| 216 | K | 74.4 | Confident | 71.3 | Confident | 84 Ų | 84 | 87.2 Ų | 87.2 | 37% | 0.365 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -67.7 | -33.4 | 178.7 | -96.5 | -166 | 170.9 | 174.2 | 0 | 113.7 | M134 Y212 V213 Q214 L220 | M134-K216 HydrophobicContact SD-CD 4.39Å; M134-K216 PolarHBondContact SD-NZ 3.38Å; Y212-K216 HydrophobicContact CE1-CD 4.15Å; Y212-K216 HydrophobicContact CE2-CD 4.4Å; Y212-K216 PolarHBondContact O-N 2.89Å; Y212-K216 VanDerWaalsContact O-N 3.09Å; Y212-K216 WeakPolarHBondContact OH-CE 2.97Å; Y212-K216 PolarHBondContact OH-NZ 3.27Å; V213-K216 PolarHBondContact O-N 2.83Å; Q214-K216 PolarHBondContact O-N 3.22Å; K216-L220 WeakPolarHBondContact O-CB 3.4Å; K216-L220 PolarHBondContact O-N 3.17Å |
| 217 | T | 70.8 | Confident | 70.2 | Confident | 57 Ų | 57 | 88.6 Ų | 88.6 | 35% | 0.35 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -71.3 | -39.5 | 175.7 | 47.7 | 0 | 0 | 0 | 0 | 111.6 | V213 Q214 L220 S221 | V213-T217 HydrophobicContact CG1-CG2 4.27Å; V213-T217 WeakPolarHBondContact O-CG2 3.28Å; V213-T217 PolarHBondContact O-N 3.29Å; V213-T217 PolarHBondContact O-OG1 3.38Å; V213-T217 VanDerWaalsContact O-OG1 3.07Å; Q214-T217 VanDerWaalsContact CA-OG1 3.31Å; Q214-T217 WeakPolarHBondContact CA-OG1 3.43Å; Q214-T217 PolarHBondContact O-N 3.04Å; Q214-T217 PolarHBondContact O-OG1 3.2Å; T217-L220 PolarHBondContact O-N 2.96Å; T217-S221 WeakPolarHBondContact O-CB 3.39Å; T217-S221 PolarHBondContact O-N 3.17Å; T217-S221 VanDerWaalsContact O-N 3.15Å |
| 218 | N | 69.4 | Low | 69 | Low | 116 Ų | 116 | 87 Ų | 87 | 62% | 0.62 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -68.9 | -39.3 | -179.9 | -69.4 | -6.1 | 0 | 0 | 0 | 112.4 | Q214 R215 L220 | Q214-N218 WeakPolarHBondContact O-CB 3.42Å; Q214-N218 PolarHBondContact O-N 3.06Å; Q214-N218 PolarHBondContact O-ND2 3.49Å; Q214-N218 PolarHBondContact O-OD1 3.41Å; R215-N218 PolarHBondContact O-N 3.24Å; N218-L220 VanDerWaalsContact C-N 3.31Å; N218-L220 PolarHBondContact O-N 3.27Å |
| 219 | V | 71.1 | Confident | 67.7 | Low | 111 Ų | 111 | 83.6 Ų | 83.6 | 67% | 0.673 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -68.4 | -28.7 | 178.4 | 172.7 | 0 | 0 | 0 | 0 | 112.7 | R215 S222 | R215-V219 VanDerWaalsContact O-CG2 3.29Å; R215-V219 WeakPolarHBondContact O-CG2 3.34Å; R215-V219 PolarHBondContact O-N 3.2Å; R215-V219 VanDerWaalsContact O-N 3.11Å; V219-S222 PolarHBondContact O-OG 3.14Å |
| 220 | L | 62.6 | Low | 66.6 | Low | 79 Ų | 79 | 92.9 Ų | 92.9 | 41% | 0.414 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -102.6 | -8.2 | -172.6 | -149.1 | 74.9 | 0 | 0 | 0 | 114.5 | K216 T217 N218 S222 | K216-L220 WeakPolarHBondContact O-CB 3.4Å; K216-L220 PolarHBondContact O-N 3.17Å; T217-L220 PolarHBondContact O-N 2.96Å; N218-L220 VanDerWaalsContact C-N 3.31Å; N218-L220 PolarHBondContact O-N 3.27Å; L220-S222 PolarHBondContact O-N 2.04Å |
| 221 | S | 57.4 | Low | 65.5 | Low | 89 Ų | 89 | 93 Ų | 93 | 62% | 0.622 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -6.3 | 179.2 | -159.4 | 0 | 0 | 0 | 0 | 113.5 | T217 | T217-S221 WeakPolarHBondContact O-CB 3.39Å; T217-S221 PolarHBondContact O-N 3.17Å; T217-S221 VanDerWaalsContact O-N 3.15Å |
| 222 | S | 56.9 | Low | 64.6 | Low | 81 Ų | 81 | 97.5 Ų | 97.5 | 57% | 0.566 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -18.5 | -178 | 44.1 | 0 | 0 | 0 | 0 | 115 | V219 L220 | V219-S222 PolarHBondContact O-OG 3.14Å; L220-S222 PolarHBondContact O-N 2.04Å |
| 223 | H | 56.6 | Low | 63.6 | Low | 169 Ų | 169 | 99.4 Ų | 99.4 | 78% | 0.782 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -139.8 | 4.6 | -167.2 | -77.3 | -65.6 | 0 | 0 | 0 | 119.8 | ||
| 224 | T | 58.1 | Low | 63 | Low | 81 Ų | 81 | 100.3 Ų | 100.3 | 50% | 0.497 | 54% | 0.539 | S | S | . | . | trans | -156.2 | 102.1 | 176.1 | -43.2 | 0 | 0 | 0 | 0 | 114.8 | G226 I228 | T224-G226 PolarHBondContact O-N 3.47Å; T224-I228 WeakPolarHBondContact O-CD1 3.09Å; T224-I228 WeakPolarHBondContact O-CG1 3.44Å | ||
| 225 | S | 56.3 | Low | 62.5 | Low | 116 Ų | 116 | 99.1 Ų | 99.1 | 81% | 0.811 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -64.8 | -29 | 178.1 | -77.3 | 0 | 0 | 0 | 0 | 115 | ||
| 226 | G | 57.9 | Low | 61.9 | Low | 69 Ų | 69 | 96.4 Ų | 96.4 | 71% | 0.711 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -77.7 | -28.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 116 | T224 I228 | T224-G226 PolarHBondContact O-N 3.47Å; G226-I228 VanDerWaalsContact C-N 3.34Å |
| 227 | S | 56.8 | Low | 61.5 | Low | 49 Ų | 49 | 94.1 Ų | 94.1 | 34% | 0.343 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -81.5 | -13.6 | -178.2 | -163.6 | 0 | 0 | 0 | 0 | 113.3 | ||
| 228 | I | 58.8 | Low | 61.3 | Low | 57 Ų | 57 | 92.8 Ų | 92.8 | 29% | 0.292 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.9 | -39.1 | -172.1 | -64 | 173.2 | 0 | 0 | 0 | 111.6 | T224 G226 R231 R232 | T224-I228 WeakPolarHBondContact O-CD1 3.09Å; T224-I228 WeakPolarHBondContact O-CG1 3.44Å; G226-I228 VanDerWaalsContact C-N 3.34Å; I228-R231 PolarHBondContact O-N 3.2Å; I228-R232 HydrophobicContact CG2-CG 4.42Å; I228-R232 WeakPolarHBondContact O-CG 3.06Å; I228-R232 PolarHBondContact O-N 2.97Å; I228-R232 VanDerWaalsContact O-N 3.09Å |
| 229 | S | 57.3 | Low | 61.4 | Low | 90 Ų | 90 | 92.6 Ų | 92.6 | 63% | 0.629 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.7 | -47.4 | -178.6 | -179.8 | 0 | 0 | 0 | 0 | 112.4 | R231 R232 | S229-R231 PolarHBondContact O-N 3.1Å; S229-R232 PolarHBondContact O-N 3.13Å; S229-R232 VanDerWaalsContact O-N 3.12Å |
| 230 | R | 56.2 | Low | 61.4 | Low | 201 Ų | 201 | 87.6 Ų | 87.6 | 76% | 0.758 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -64.6 | -25.2 | 179.9 | -163.8 | 175.6 | -174.8 | -178.8 | 2.6 | 113.1 | P234 | R230-P234 WeakPolarHBondContact O-CD 3.31Å |
| 231 | R | 58.7 | Low | 61.8 | Low | 111 Ų | 111 | 84 Ų | 84 | 42% | 0.419 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -89.5 | -16.5 | 176.4 | -66.2 | -176.7 | -171.8 | -149.5 | 5.3 | 113.9 | I228 S229 P234 V235 | I228-R231 PolarHBondContact O-N 3.2Å; S229-R231 PolarHBondContact O-N 3.1Å; R231-P234 VanDerWaalsContact O-CD 3.3Å; R231-P234 WeakPolarHBondContact O-CD 3.41Å; R231-P234 VanDerWaalsContact O-CG 3.28Å; R231-P234 WeakPolarHBondContact O-CG 3.29Å; R231-V235 WeakPolarHBondContact O-CG2 3.38Å |
| 232 | R | 63.9 | Low | 62.7 | Low | 163 Ų | 163 | 82.3 Ų | 82.3 | 62% | 0.615 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -68.4 | -38 | 177.8 | -83.4 | 179.3 | -175.2 | -176.2 | 2.9 | 112.7 | I228 S229 V235 K236 | I228-R232 HydrophobicContact CG2-CG 4.42Å; I228-R232 WeakPolarHBondContact O-CG 3.06Å; I228-R232 PolarHBondContact O-N 2.97Å; I228-R232 VanDerWaalsContact O-N 3.09Å; S229-R232 PolarHBondContact O-N 3.13Å; S229-R232 VanDerWaalsContact O-N 3.12Å; R232-V235 PolarHBondContact O-N 2.03Å; R232-K236 WeakPolarHBondContact O-CG 3.42Å; R232-K236 PolarHBondContact O-N 3.44Å |
| 233 | T | 61.2 | Low | 63.7 | Low | 101 Ų | 101 | 81.2 Ų | 81.2 | 62% | 0.62 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -58.4 | -50.7 | -179.9 | -45.2 | 0 | 0 | 0 | 0 | 113.4 | V235 K236 L237 | T233-V235 VanDerWaalsContact C-N 3.33Å; T233-V235 PolarHBondContact O-N 3.43Å; T233-K236 PolarHBondContact O-N 3.48Å; T233-L237 PolarHBondContact O-N 3.43Å |
| 234 | P | 62.5 | Low | 64.8 | Low | 43 Ų | 43 | 73.3 Ų | 73.3 | 28% | 0.279 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -65.1 | -34.4 | 176.7 | 23.2 | -32.7 | 0 | 0 | 0 | 112.9 | R230 R231 L237 M238 | R230-P234 WeakPolarHBondContact O-CD 3.31Å; R231-P234 VanDerWaalsContact O-CD 3.3Å; R231-P234 WeakPolarHBondContact O-CD 3.41Å; R231-P234 VanDerWaalsContact O-CG 3.28Å; R231-P234 WeakPolarHBondContact O-CG 3.29Å; P234-L237 PolarHBondContact O-N 3.37Å; P234-M238 HydrophobicContact CB-CE 4.3Å; P234-M238 WeakPolarHBondContact O-CB 3.18Å; P234-M238 WeakPolarHBondContact O-CG 3.45Å; P234-M238 PolarHBondContact O-N 2.86Å |
| 235 | V | 66.6 | Low | 65.8 | Low | 39 Ų | 39 | 69.8 Ų | 69.8 | 24% | 0.236 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -68.2 | -39.4 | 176.3 | 175.3 | 0 | 0 | 0 | 0 | 111.8 | V213 R231 R232 T233 M238 K239 | V213-V235 HydrophobicContact CG1-CG2 4.01Å; R231-V235 WeakPolarHBondContact O-CG2 3.38Å; R232-V235 PolarHBondContact O-N 2.03Å; T233-V235 VanDerWaalsContact C-N 3.33Å; T233-V235 PolarHBondContact O-N 3.43Å; V235-M238 PolarHBondContact O-N 3.43Å; V235-K239 WeakPolarHBondContact O-CG 3.33Å; V235-K239 PolarHBondContact O-N 3.35Å |
| 236 | K | 66.6 | Low | 67.1 | Low | 118 Ų | 118 | 65.9 Ų | 65.9 | 51% | 0.513 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.8 | -48.9 | 173.7 | -77.1 | -176.9 | 175.1 | -168.4 | 0 | 110.9 | R232 T233 M238 K239 T240 | R232-K236 WeakPolarHBondContact O-CG 3.42Å; R232-K236 PolarHBondContact O-N 3.44Å; T233-K236 PolarHBondContact O-N 3.48Å; K236-M238 VanDerWaalsContact C-N 3.32Å; K236-M238 PolarHBondContact O-N 3.47Å; K236-K239 WeakPolarHBondContact O-CB 3.06Å; K236-K239 PolarHBondContact O-N 3.46Å; K236-K239 VanDerWaalsContact O-N 3.13Å; K236-T240 PolarHBondContact O-N 3.05Å; K236-T240 PolarHBondContact O-OG1 2.89Å |
| 237 | L | 65 | Low | 68.4 | Low | 36 Ų | 36 | 63.7 Ų | 63.7 | 19% | 0.188 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.7 | -38.2 | 178.4 | -169.5 | 58.9 | 0 | 0 | 0 | 112.5 | F65 T233 P234 T240 V241 | F65-L237 HydrophobicContact CD1-CD1 4.47Å; F65-L237 HydrophobicContact CD1-CD2 4.19Å; F65-L237 HydrophobicContact CE1-CD1 3.61Å; F65-L237 HydrophobicContact CE1-CD2 4.08Å; F65-L237 HydrophobicContact CE1-CG 4.06Å; F65-L237 HydrophobicContact CZ-CD1 4Å; F65-L237 HydrophobicContact CZ-CG 4.29Å; T233-L237 PolarHBondContact O-N 3.43Å; P234-L237 PolarHBondContact O-N 3.37Å; L237-T240 WeakPolarHBondContact O-CB 3.4Å; L237-T240 PolarHBondContact O-N 2.8Å; L237-V241 WeakPolarHBondContact O-CG2 3.5Å; L237-V241 PolarHBondContact O-N 2.93Å; L237-V241 VanDerWaalsContact O-N 3.12Å |
| 238 | M | 66.6 | Low | 69.9 | Low | 29 Ų | 29 | 61.4 Ų | 61.4 | 14% | 0.143 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.9 | -42.3 | 173.4 | -74.6 | 169.2 | -162.7 | 0 | 0 | 112.3 | V131 V213 P234 V235 K236 T240 V241 M242 | V131-M238 HydrophobicContact CG2-CE 3.22Å; V131-M238 HydrophobicContact CG2-SD 3.83Å; V213-M238 HydrophobicContact CG2-SD 4.05Å; P234-M238 HydrophobicContact CB-CE 4.3Å; P234-M238 WeakPolarHBondContact O-CB 3.18Å; P234-M238 WeakPolarHBondContact O-CG 3.45Å; P234-M238 PolarHBondContact O-N 2.86Å; V235-M238 PolarHBondContact O-N 3.43Å; K236-M238 VanDerWaalsContact C-N 3.32Å; K236-M238 PolarHBondContact O-N 3.47Å; M238-T240 VanDerWaalsContact C-N 3.3Å; M238-T240 PolarHBondContact O-N 2.74Å; M238-V241 PolarHBondContact O-N 2.98Å; M238-M242 VanDerWaalsContact O-CG 3.31Å; M238-M242 WeakPolarHBondContact O-CG 3.48Å; M238-M242 PolarHBondContact O-N 3.13Å |
| 239 | K | 72.8 | Confident | 71.3 | Confident | 113 Ų | 113 | 60 Ų | 60 | 49% | 0.491 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.5 | -40.3 | 175.2 | -75.8 | -177.7 | 178.2 | -176.7 | 0 | 111.4 | V235 K236 M242 T243 | V235-K239 WeakPolarHBondContact O-CG 3.33Å; V235-K239 PolarHBondContact O-N 3.35Å; K236-K239 WeakPolarHBondContact O-CB 3.06Å; K236-K239 PolarHBondContact O-N 3.46Å; K236-K239 VanDerWaalsContact O-N 3.13Å; K239-M242 PolarHBondContact O-N 3.42Å; K239-T243 PolarHBondContact O-N 2.88Å; K239-T243 PolarHBondContact O-OG1 3.03Å |
| 240 | T | 69.6 | Low | 72.8 | Confident | 6 Ų | 6 | 60.4 Ų | 60.4 | 4% | 0.037 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -56.5 | -52.5 | 173.8 | -46.7 | 0 | 0 | 0 | 0 | 111.2 | K236 L237 M238 M242 T243 L244 I292 K296 | K236-T240 PolarHBondContact O-N 3.05Å; K236-T240 PolarHBondContact O-OG1 2.89Å; L237-T240 WeakPolarHBondContact O-CB 3.4Å; L237-T240 PolarHBondContact O-N 2.8Å; M238-T240 VanDerWaalsContact C-N 3.3Å; M238-T240 PolarHBondContact O-N 2.74Å; T240-M242 PolarHBondContact O-N 3.39Å; T240-T243 PolarHBondContact O-N 3.23Å; T240-T243 VanDerWaalsContact O-N 3.15Å; T240-L244 HydrophobicContact CG2-CD1 4.38Å; T240-L244 WeakPolarHBondContact O-CG 3.4Å; T240-L244 PolarHBondContact O-N 3.01Å; T240-I292 HydrophobicContact CG2-CG2 4.04Å; T240-K296 HydrophobicContact CG2-CB 3.6Å; T240-K296 HydrophobicContact CG2-CG 4.07Å; T240-K296 WeakPolarHBondContact OG1-CB 3.49Å |
| 241 | V | 72.1 | Confident | 74.3 | Confident | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.018 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -56.4 | -54.3 | 179.3 | 173.5 | 0 | 0 | 0 | 0 | 109.8 | F65 I123 R127 Y206 L237 M238 T243 L244 L245 | F65-V241 HydrophobicContact CE2-CG2 3.52Å; F65-V241 HydrophobicContact CZ-CG2 3.56Å; I123-V241 HydrophobicContact CG2-CG1 3.75Å; I123-V241 HydrophobicContact CG2-CG2 4.4Å; R127-V241 HydrophobicContact CG-CG1 4.48Å; Y206-V241 HydrophobicContact CE1-CG1 4.24Å; L237-V241 WeakPolarHBondContact O-CG2 3.5Å; L237-V241 PolarHBondContact O-N 2.93Å; L237-V241 VanDerWaalsContact O-N 3.12Å; M238-V241 PolarHBondContact O-N 2.98Å; V241-T243 PolarHBondContact O-N 3.13Å; V241-L244 WeakPolarHBondContact O-CB 3.39Å; V241-L244 PolarHBondContact O-N 3.21Å; V241-L245 HydrophobicContact CG1-CD1 3.42Å; V241-L245 VanDerWaalsContact CG1-CD1 3.42Å; V241-L245 WeakPolarHBondContact O-CD1 3.36Å; V241-L245 PolarHBondContact O-N 3.06Å; V241-L245 VanDerWaalsContact O-N 3.09Å |
| 242 | M | 75.9 | Confident | 75.8 | Confident | 54 Ų | 54 | 48 Ų | 48 | 27% | 0.266 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -53.9 | -39 | 177.7 | -70.6 | 178.2 | 71.7 | 0 | 0 | 113.3 | Y206 Y210 M238 K239 T240 G246 | Y206-M242 HydrophobicContact CD1-CG 3.88Å; Y206-M242 HydrophobicContact CE1-CG 4.48Å; Y210-M242 HydrophobicContact CD2-CE 3.64Å; Y210-M242 HydrophobicContact CD2-SD 4.06Å; Y210-M242 HydrophobicContact CG-CE 3.94Å; M238-M242 VanDerWaalsContact O-CG 3.31Å; M238-M242 WeakPolarHBondContact O-CG 3.48Å; M238-M242 PolarHBondContact O-N 3.13Å; K239-M242 PolarHBondContact O-N 3.42Å; T240-M242 PolarHBondContact O-N 3.39Å; M242-G246 PolarHBondContact O-N 3.14Å |
| 243 | T | 78.6 | Confident | 77 | Confident | 57 Ų | 57 | 42.2 Ų | 42.2 | 35% | 0.35 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65.5 | -44.9 | 176 | -58.1 | 0 | 0 | 0 | 0 | 112 | K239 T240 V241 L245 G246 A247 I292 | K239-T243 PolarHBondContact O-N 2.88Å; K239-T243 PolarHBondContact O-OG1 3.03Å; T240-T243 PolarHBondContact O-N 3.23Å; T240-T243 VanDerWaalsContact O-N 3.15Å; V241-T243 PolarHBondContact O-N 3.13Å; T243-L245 VanDerWaalsContact C-N 3.3Å; T243-L245 PolarHBondContact O-N 2.92Å; T243-G246 PolarHBondContact O-N 3.35Å; T243-A247 WeakPolarHBondContact O-CB 3.44Å; T243-A247 PolarHBondContact O-N 3.4Å; T243-I292 HydrophobicContact CG2-CD1 4.13Å; T243-I292 HydrophobicContact CG2-CG1 4.21Å; T243-I292 HydrophobicContact CG2-CG2 4.07Å |
| 244 | L | 78.7 | Confident | 78.4 | Confident | 4 Ų | 4 | 40.4 Ų | 40.4 | 2% | 0.021 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.9 | -44.8 | 177.4 | -63.3 | 159.4 | 0 | 0 | 0 | 111.6 | L69 T240 V241 A247 F248 N289 I292 Y293 | L69-L244 HydrophobicContact CD1-CD1 4.4Å; T240-L244 HydrophobicContact CG2-CD1 4.38Å; T240-L244 WeakPolarHBondContact O-CG 3.4Å; T240-L244 PolarHBondContact O-N 3.01Å; V241-L244 WeakPolarHBondContact O-CB 3.39Å; V241-L244 PolarHBondContact O-N 3.21Å; L244-A247 PolarHBondContact O-N 2.97Å; L244-F248 WeakPolarHBondContact O-CB 3.38Å; L244-F248 PolarHBondContact O-N 2.64Å; L244-N289 HydrophobicContact CD2-CB 4.27Å; L244-I292 HydrophobicContact CD2-CB 3.58Å; L244-I292 HydrophobicContact CD2-CD1 3.86Å; L244-I292 HydrophobicContact CD2-CG1 4.33Å; L244-I292 HydrophobicContact CD2-CG2 3.5Å; L244-I292 VanDerWaalsContact CD2-CG2 3.5Å; L244-I292 HydrophobicContact CG-CB 4.34Å; L244-I292 HydrophobicContact CG-CG2 3.69Å; L244-Y293 HydrophobicContact CD1-CD1 4.04Å; L244-Y293 HydrophobicContact CD1-CE1 3.35Å; L244-Y293 HydrophobicContact CD2-CD1 3.97Å; L244-Y293 HydrophobicContact CD2-CE1 3.43Å; L244-Y293 VanDerWaalsContact CD2-CE1 3.43Å; L244-Y293 HydrophobicContact CG-CE1 4.01Å |
| 245 | L | 79.9 | Confident | 79.7 | Confident | 6 Ų | 6 | 38.6 Ų | 38.6 | 3% | 0.031 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -73.7 | -39.5 | -176.7 | -67.6 | 144.2 | 0 | 0 | 0 | 112.5 | L120 M202 Y206 V241 T243 A247 F248 V249 | L120-L245 HydrophobicContact CB-CD2 3.56Å; L120-L245 HydrophobicContact CD1-CD2 4.11Å; L120-L245 HydrophobicContact CD2-CD2 3.54Å; L120-L245 HydrophobicContact CD2-CG 3.93Å; L120-L245 HydrophobicContact CG-CD2 3.9Å; M202-L245 HydrophobicContact SD-CD2 3.85Å; Y206-L245 HydrophobicContact CD1-CD1 4.34Å; Y206-L245 HydrophobicContact CD2-CD1 4.16Å; Y206-L245 HydrophobicContact CE1-CD1 3.54Å; Y206-L245 HydrophobicContact CE2-CB 4.37Å; Y206-L245 HydrophobicContact CE2-CD1 3.4Å; Y206-L245 VanDerWaalsContact CE2-CD1 3.4Å; Y206-L245 HydrophobicContact CE2-CD2 3.95Å; Y206-L245 HydrophobicContact CE2-CG 4.15Å; Y206-L245 WeakPolarHBondContact OH-CD1 3.02Å; V241-L245 HydrophobicContact CG1-CD1 3.42Å; V241-L245 VanDerWaalsContact CG1-CD1 3.42Å; V241-L245 WeakPolarHBondContact O-CD1 3.36Å; V241-L245 PolarHBondContact O-N 3.06Å; V241-L245 VanDerWaalsContact O-N 3.09Å; T243-L245 VanDerWaalsContact C-N 3.3Å; T243-L245 PolarHBondContact O-N 2.92Å; L245-A247 VanDerWaalsContact C-N 3.31Å; L245-F248 WeakPolarHBondContact O-CB 3.33Å; L245-F248 PolarHBondContact O-N 2.94Å; L245-V249 WeakPolarHBondContact O-CG2 3.31Å; L245-V249 PolarHBondContact O-N 3.02Å |
| 246 | G | 83.6 | Confident | 80.8 | Confident | 35 Ų | 35 | 36.9 Ų | 36.9 | 36% | 0.361 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -59.8 | -45.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | M242 T243 F248 V249 V250 | M242-G246 PolarHBondContact O-N 3.14Å; T243-G246 PolarHBondContact O-N 3.35Å; G246-F248 VanDerWaalsContact C-N 3.34Å; G246-F248 PolarHBondContact O-N 3.31Å; G246-V249 PolarHBondContact O-N 3.3Å; G246-V250 WeakPolarHBondContact O-CB 3.44Å; G246-V250 VanDerWaalsContact O-CG2 3.26Å; G246-V250 WeakPolarHBondContact O-CG2 3.48Å; G246-V250 PolarHBondContact O-N 3.16Å |
| 247 | A | 85.9 | Confident | 82 | Confident | 22 Ų | 22 | 34.1 Ų | 34.1 | 18% | 0.182 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.3 | -45.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | T243 L244 L245 V249 V250 C251 I292 | T243-A247 WeakPolarHBondContact O-CB 3.44Å; T243-A247 PolarHBondContact O-N 3.4Å; L244-A247 PolarHBondContact O-N 2.97Å; L245-A247 VanDerWaalsContact C-N 3.31Å; A247-V249 PolarHBondContact O-N 3.01Å; A247-V250 PolarHBondContact O-N 3.36Å; A247-C251 VanDerWaalsContact O-CB 3.3Å; A247-C251 WeakPolarHBondContact O-CB 3.48Å; A247-C251 PolarHBondContact O-N 3.21Å; A247-C251 PolarHBondContact O-SG 3.39Å; A247-I292 HydrophobicContact CB-CD1 4.14Å |
| 248 | F | 86.9 | Confident | 83.1 | Confident | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.009 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.6 | -50.2 | 177.5 | -165.2 | -81.7 | 0 | 0 | 0 | 112.8 | L113 L117 L120 F199 L244 L245 G246 V250 C251 W252 N285 | L113-F248 HydrophobicContact CD1-CE1 4.29Å; L113-F248 HydrophobicContact CD1-CZ 3.81Å; L117-F248 HydrophobicContact CD2-CD1 4.24Å; L117-F248 HydrophobicContact CD2-CE1 3.34Å; L117-F248 HydrophobicContact CD2-CZ 3.96Å; L117-F248 HydrophobicContact CG-CE1 3.7Å; L117-F248 HydrophobicContact CG-CZ 3.77Å; L120-F248 HydrophobicContact CD1-CB 3.81Å; L120-F248 HydrophobicContact CD1-CD1 3.91Å; L120-F248 HydrophobicContact CD1-CD2 3.39Å; L120-F248 HydrophobicContact CD1-CE1 4.35Å; L120-F248 HydrophobicContact CD1-CE2 3.89Å; L120-F248 HydrophobicContact CD1-CG 3.4Å; L120-F248 VanDerWaalsContact CD1-CG 3.4Å; L120-F248 HydrophobicContact CD1-CZ 4.33Å; F199-F248 AromaticContact CE1-CD1 3.44Å; F199-F248 HydrophobicContact CE1-CD1 3.44Å; F199-F248 VanDerWaalsContact CE1-CD1 3.44Å; F199-F248 AromaticContact CE1-CE1 3.45Å; F199-F248 HydrophobicContact CE1-CE1 3.45Å; F199-F248 VanDerWaalsContact CE1-CE1 3.45Å; F199-F248 AromaticContact CZ-CD1 3.56Å; F199-F248 HydrophobicContact CZ-CD1 3.56Å; F199-F248 AromaticContact CZ-CE1 3.47Å; F199-F248 HydrophobicContact CZ-CE1 3.47Å; F199-F248 VanDerWaalsContact CZ-CE1 3.47Å; L244-F248 WeakPolarHBondContact O-CB 3.38Å; L244-F248 PolarHBondContact O-N 2.64Å; L245-F248 WeakPolarHBondContact O-CB 3.33Å; L245-F248 PolarHBondContact O-N 2.94Å; G246-F248 VanDerWaalsContact C-N 3.34Å; G246-F248 PolarHBondContact O-N 3.31Å; F248-V250 PolarHBondContact O-N 3.35Å; F248-C251 PolarHBondContact O-N 3.29Å; F248-W252 AromaticContact CD1-CD1 3.73Å; F248-W252 HydrophobicContact CD1-CG 4.44Å; F248-W252 AromaticContact CD2-CD1 3.9Å; F248-W252 AromaticContact CD2-NE1 3.98Å; F248-W252 HydrophobicContact CE1-CB 4.45Å; F248-W252 AromaticContact CE1-CD1 3.52Å; F248-W252 HydrophobicContact CE1-CG 4.05Å; F248-W252 AromaticContact CE2-CD1 3.73Å; F248-W252 AromaticContact CE2-NE1 3.52Å; F248-W252 AromaticContact CG-CD1 3.9Å; F248-W252 AromaticContact CZ-CD1 3.54Å; F248-W252 HydrophobicContact CZ-CG 4.26Å; F248-W252 AromaticContact CZ-NE1 3.57Å; F248-W252 WeakPolarHBondContact O-CB 3.27Å; F248-W252 VanDerWaalsContact O-CD1 3.29Å; F248-W252 PolarHBondContact O-N 3.12Å; F248-N285 VanDerWaalsContact CA-OD1 3.31Å; F248-N285 WeakPolarHBondContact CA-OD1 3.46Å; F248-N285 WeakPolarHBondContact CD2-ND2 3.46Å; F248-N285 WeakPolarHBondContact CD2-OD1 3.16Å; F248-N285 VanDerWaalsContact CE2-ND2 3.29Å; F248-N285 WeakPolarHBondContact CE2-ND2 3.39Å |
| 249 | V | 88.7 | Confident | 84.3 | Confident | 26 Ų | 26 | 33.6 Ų | 33.6 | 16% | 0.158 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.1 | -45.9 | 178.7 | 172.7 | 0 | 0 | 0 | 0 | 110.6 | F199 V203 L245 G246 A247 C251 W252 T253 | F199-V249 HydrophobicContact CB-CG2 4.32Å; F199-V249 HydrophobicContact CD1-CG2 3.95Å; F199-V249 HydrophobicContact CD2-CG1 4.32Å; F199-V249 HydrophobicContact CD2-CG2 4.43Å; F199-V249 HydrophobicContact CE1-CG2 4.25Å; F199-V249 HydrophobicContact CG-CG2 4.02Å; V203-V249 HydrophobicContact CG2-CG2 4.46Å; L245-V249 WeakPolarHBondContact O-CG2 3.31Å; L245-V249 PolarHBondContact O-N 3.02Å; G246-V249 PolarHBondContact O-N 3.3Å; A247-V249 PolarHBondContact O-N 3.01Å; V249-C251 VanDerWaalsContact C-N 3.34Å; V249-C251 PolarHBondContact O-N 3.46Å; V249-W252 PolarHBondContact O-N 3.04Å; V249-T253 WeakPolarHBondContact CG1-OG1 3.45Å; V249-T253 WeakPolarHBondContact O-CB 3.42Å; V249-T253 PolarHBondContact O-N 2.85Å; V249-T253 PolarHBondContact O-OG1 3.35Å |
| 250 | V | 88 | Confident | 85.2 | Confident | 99 Ų | 99 | 30 Ų | 30 | 60% | 0.6 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -63.8 | -40 | 179.5 | 170.8 | 0 | 0 | 0 | 0 | 111.6 | G246 A247 F248 P254 | G246-V250 WeakPolarHBondContact O-CB 3.44Å; G246-V250 VanDerWaalsContact O-CG2 3.26Å; G246-V250 WeakPolarHBondContact O-CG2 3.48Å; G246-V250 PolarHBondContact O-N 3.16Å; A247-V250 PolarHBondContact O-N 3.36Å; F248-V250 PolarHBondContact O-N 3.35Å; V250-P254 WeakPolarHBondContact O-CD 3.44Å |
| 251 | C | 88.4 | Confident | 86.2 | Confident | 18 Ų | 18 | 32.5 Ų | 32.5 | 12% | 0.122 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69.4 | -39.1 | -179.5 | -74.2 | 0 | 0 | 0 | 0 | 113.5 | A247 F248 V249 L281 N285 | A247-C251 VanDerWaalsContact O-CB 3.3Å; A247-C251 WeakPolarHBondContact O-CB 3.48Å; A247-C251 PolarHBondContact O-N 3.21Å; A247-C251 PolarHBondContact O-SG 3.39Å; F248-C251 PolarHBondContact O-N 3.29Å; V249-C251 VanDerWaalsContact C-N 3.34Å; V249-C251 PolarHBondContact O-N 3.46Å; C251-L281 HydrophobicContact CB-CD2 4.41Å; C251-N285 HydrophobicContact CB-CB 3.86Å |
| 252 | W | 89.6 | Confident | 87 | Confident | 34 Ų | 34 | 32.6 Ų | 32.6 | 13% | 0.129 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -97.4 | -27.4 | -171.2 | -75.7 | 101.2 | 0 | 0 | 0 | 114.5 | L113 F199 F248 V249 G255 L256 A282 N285 | L113-W252 HydrophobicContact CB-CH2 4.15Å; L113-W252 HydrophobicContact CB-CZ3 4.48Å; L113-W252 HydrophobicContact CD1-CD2 3.58Å; L113-W252 HydrophobicContact CD1-CE3 3.67Å; L113-W252 HydrophobicContact CD1-CG 4.18Å; L113-W252 HydrophobicContact CD1-CH2 3.88Å; L113-W252 HydrophobicContact CD1-CZ2 3.81Å; L113-W252 HydrophobicContact CD1-CZ3 3.83Å; L113-W252 HydrophobicContact CD2-CE3 4.01Å; L113-W252 HydrophobicContact CD2-CH2 4.25Å; L113-W252 HydrophobicContact CD2-CZ3 3.74Å; L113-W252 HydrophobicContact CG-CE3 4.44Å; L113-W252 HydrophobicContact CG-CH2 4.31Å; L113-W252 HydrophobicContact CG-CZ3 4.22Å; F199-W252 HydrophobicContact CE2-CB 3.79Å; F199-W252 HydrophobicContact CZ-CB 3.65Å; F199-W252 HydrophobicContact CZ-CG 4.48Å; F248-W252 AromaticContact CD1-CD1 3.73Å; F248-W252 HydrophobicContact CD1-CG 4.44Å; F248-W252 AromaticContact CD2-CD1 3.9Å; F248-W252 AromaticContact CD2-NE1 3.98Å; F248-W252 HydrophobicContact CE1-CB 4.45Å; F248-W252 AromaticContact CE1-CD1 3.52Å; F248-W252 HydrophobicContact CE1-CG 4.05Å; F248-W252 AromaticContact CE2-CD1 3.73Å; F248-W252 AromaticContact CE2-NE1 3.52Å; F248-W252 AromaticContact CG-CD1 3.9Å; F248-W252 AromaticContact CZ-CD1 3.54Å; F248-W252 HydrophobicContact CZ-CG 4.26Å; F248-W252 AromaticContact CZ-NE1 3.57Å; F248-W252 WeakPolarHBondContact O-CB 3.27Å; F248-W252 VanDerWaalsContact O-CD1 3.29Å; F248-W252 PolarHBondContact O-N 3.12Å; V249-W252 PolarHBondContact O-N 3.04Å; W252-G255 PolarHBondContact O-N 3.47Å; W252-G255 VanDerWaalsContact O-N 3.14Å; W252-L256 PolarHBondContact O-N 3.29Å; W252-A282 HydrophobicContact CD2-CB 4.37Å; W252-A282 HydrophobicContact CE3-CB 4.19Å; W252-A282 HydrophobicContact CH2-CB 3.55Å; W252-A282 HydrophobicContact CZ2-CB 3.72Å; W252-A282 HydrophobicContact CZ3-CB 3.79Å; W252-N285 PolarHBondContact NE1-ND2 3.01Å |
| 253 | T | 90.6 | Very high | 87.6 | Confident | 42 Ų | 42 | 30.5 Ų | 30.5 | 26% | 0.258 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -55.6 | -46 | -177.7 | -61.1 | 0 | 0 | 0 | 0 | 113 | L196 V249 G255 L256 V257 | L196-T253 HydrophobicContact CD2-CG2 4.2Å; V249-T253 WeakPolarHBondContact CG1-OG1 3.45Å; V249-T253 WeakPolarHBondContact O-CB 3.42Å; V249-T253 PolarHBondContact O-N 2.85Å; V249-T253 PolarHBondContact O-OG1 3.35Å; T253-G255 VanDerWaalsContact C-N 3.3Å; T253-G255 PolarHBondContact O-N 2.62Å; T253-L256 PolarHBondContact O-N 2.96Å; T253-V257 HydrophobicContact CG2-CG2 4.19Å; T253-V257 WeakPolarHBondContact O-CG2 3.36Å; T253-V257 PolarHBondContact O-N 3.14Å |
| 254 | P | 90.3 | Very high | 88.2 | Confident | 62 Ų | 62 | 33.1 Ų | 33.1 | 40% | 0.403 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -58.8 | -41.1 | 178.4 | -23.8 | 34.5 | 0 | 0 | 0 | 112.6 | V250 V257 V258 | V250-P254 WeakPolarHBondContact O-CD 3.44Å; P254-V257 PolarHBondContact O-N 3.44Å; P254-V258 WeakPolarHBondContact O-CB 3.49Å; P254-V258 VanDerWaalsContact O-CG2 3.27Å; P254-V258 WeakPolarHBondContact O-CG2 3.42Å; P254-V258 PolarHBondContact O-N 2.89Å |
| 255 | G | 88.8 | Confident | 88.5 | Confident | 6 Ų | 6 | 36.5 Ų | 36.5 | 6% | 0.062 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.4 | -43.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | W252 T253 V258 L259 | W252-G255 PolarHBondContact O-N 3.47Å; W252-G255 VanDerWaalsContact O-N 3.14Å; T253-G255 VanDerWaalsContact C-N 3.3Å; T253-G255 PolarHBondContact O-N 2.62Å; G255-V258 PolarHBondContact O-N 2.81Å; G255-L259 WeakPolarHBondContact O-CG 3.5Å; G255-L259 PolarHBondContact O-N 3.44Å |
| 256 | L | 91.1 | Very high | 88.6 | Confident | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.8 | -39.6 | 177.6 | -68.1 | 174.7 | 0 | 0 | 0 | 112.4 | S192 N195 L196 F199 W252 T253 V258 L259 L260 | S192-L256 WeakPolarHBondContact CB-O 3.47Å; S192-L256 PolarHBondContact OG-O 3.38Å; N195-L256 HydrophobicContact CB-CD1 3.62Å; N195-L256 HydrophobicContact CB-CD2 3.86Å; N195-L256 HydrophobicContact CB-CG 4.41Å; L196-L256 HydrophobicContact CD2-CB 4.09Å; L196-L256 HydrophobicContact CD2-CD1 4.23Å; L196-L256 HydrophobicContact CG-CB 4.18Å; L196-L256 HydrophobicContact CG-CD1 4.35Å; F199-L256 HydrophobicContact CD2-CD1 3.91Å; F199-L256 HydrophobicContact CE2-CD1 3.45Å; F199-L256 VanDerWaalsContact CE2-CD1 3.45Å; F199-L256 HydrophobicContact CZ-CD1 4.15Å; W252-L256 PolarHBondContact O-N 3.29Å; T253-L256 PolarHBondContact O-N 2.96Å; L256-V258 VanDerWaalsContact C-N 3.35Å; L256-L259 PolarHBondContact O-N 2.75Å; L256-L260 WeakPolarHBondContact O-CB 3.32Å; L256-L260 PolarHBondContact O-N 3.12Å |
| 257 | V | 91 | Very high | 88 | Confident | 60 Ų | 60 | 41.8 Ų | 41.8 | 36% | 0.364 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.8 | -43.1 | 174.8 | 172 | 0 | 0 | 0 | 0 | 110.4 | L196 T253 P254 L260 L261 | L196-V257 HydrophobicContact CD2-CG2 4.49Å; T253-V257 HydrophobicContact CG2-CG2 4.19Å; T253-V257 WeakPolarHBondContact O-CG2 3.36Å; T253-V257 PolarHBondContact O-N 3.14Å; P254-V257 PolarHBondContact O-N 3.44Å; V257-L260 WeakPolarHBondContact O-CB 3.22Å; V257-L260 PolarHBondContact O-N 3.33Å; V257-L261 HydrophobicContact CG1-CD1 4.17Å; V257-L261 HydrophobicContact CG1-CG 4.45Å; V257-L261 WeakPolarHBondContact O-CG 3.19Å; V257-L261 PolarHBondContact O-N 3.46Å |
| 258 | V | 89.1 | Confident | 87.2 | Confident | 19 Ų | 19 | 49.3 Ų | 49.3 | 12% | 0.115 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.8 | -43.4 | 176.5 | 165.7 | 0 | 0 | 0 | 0 | 111.9 | L179 P254 G255 L256 L260 L261 D262 I271 | L179-V258 HydrophobicContact CD1-CG1 3.68Å; P254-V258 WeakPolarHBondContact O-CB 3.49Å; P254-V258 VanDerWaalsContact O-CG2 3.27Å; P254-V258 WeakPolarHBondContact O-CG2 3.42Å; P254-V258 PolarHBondContact O-N 2.89Å; G255-V258 PolarHBondContact O-N 2.81Å; L256-V258 VanDerWaalsContact C-N 3.35Å; V258-L260 VanDerWaalsContact C-N 3.3Å; V258-L260 PolarHBondContact O-N 2.76Å; V258-L261 PolarHBondContact O-N 3.45Å; V258-D262 PolarHBondContact O-N 3.42Å; V258-I271 HydrophobicContact CG1-CB 4.49Å; V258-I271 HydrophobicContact CG1-CG2 3.53Å |
| 259 | L | 90.1 | Very high | 86.5 | Confident | 36 Ų | 36 | 51.8 Ų | 51.8 | 19% | 0.188 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.3 | -36.3 | 174 | -72.3 | 173 | 0 | 0 | 0 | 112.3 | L179 L188 S192 G255 L256 G263 | L179-L259 HydrophobicContact CD1-CD2 4.05Å; L188-L259 HydrophobicContact CD2-CD2 4.26Å; S192-L259 VanDerWaalsContact OG-CB 3.27Å; S192-L259 WeakPolarHBondContact OG-CB 3.44Å; G255-L259 WeakPolarHBondContact O-CG 3.5Å; G255-L259 PolarHBondContact O-N 3.44Å; L256-L259 PolarHBondContact O-N 2.75Å; L259-G263 PolarHBondContact O-N 3.47Å |
| 260 | L | 92.4 | Very high | 85.6 | Confident | 37 Ų | 37 | 52.5 Ų | 52.5 | 19% | 0.194 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.1 | -46 | 174.7 | -178.8 | 60.7 | 0 | 0 | 0 | 111.1 | V189 S192 V193 L196 L256 V257 V258 D262 G263 L264 | V189-L260 HydrophobicContact CB-CD1 4.39Å; V189-L260 HydrophobicContact CG1-CD1 4.04Å; V189-L260 HydrophobicContact CG2-CD1 4.31Å; S192-L260 PolarHBondContact OG-N 3.45Å; V193-L260 HydrophobicContact CG2-CD1 3.9Å; L196-L260 HydrophobicContact CD1-CD2 4.08Å; L256-L260 WeakPolarHBondContact O-CB 3.32Å; L256-L260 PolarHBondContact O-N 3.12Å; V257-L260 WeakPolarHBondContact O-CB 3.22Å; V257-L260 PolarHBondContact O-N 3.33Å; V258-L260 VanDerWaalsContact C-N 3.3Å; V258-L260 PolarHBondContact O-N 2.76Å; L260-D262 VanDerWaalsContact C-N 3.32Å; L260-D262 PolarHBondContact O-N 3.23Å; L260-G263 PolarHBondContact O-N 3.32Å; L260-L264 HydrophobicContact CD1-CD1 4.35Å; L260-L264 HydrophobicContact CD1-CG 4.43Å; L260-L264 HydrophobicContact CG-CD1 4.16Å; L260-L264 VanDerWaalsContact O-CG 3.29Å; L260-L264 WeakPolarHBondContact O-CG 3.4Å; L260-L264 PolarHBondContact O-N 3.25Å |
| 261 | L | 90.5 | Very high | 84.8 | Confident | 59 Ų | 59 | 48.5 Ų | 48.5 | 31% | 0.309 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63 | -37.7 | 177.5 | -68.8 | 172.2 | 0 | 0 | 0 | 112.3 | V257 V258 L264 N265 C266 I271 | V257-L261 HydrophobicContact CG1-CD1 4.17Å; V257-L261 HydrophobicContact CG1-CG 4.45Å; V257-L261 WeakPolarHBondContact O-CG 3.19Å; V257-L261 PolarHBondContact O-N 3.46Å; V258-L261 PolarHBondContact O-N 3.45Å; L261-L264 PolarHBondContact O-N 3.44Å; L261-N265 PolarHBondContact O-N 3.13Å; L261-C266 HydrophobicContact CB-CB 4.41Å; L261-C266 PolarHBondContact O-N 3.05Å; L261-I271 HydrophobicContact CB-CD1 3.84Å |
| 262 | D | 88.6 | Confident | 83.9 | Confident | 5 Ų | 5 | 49.1 Ų | 49.1 | 3% | 0.027 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.7 | -42.5 | 173.5 | -172.5 | 45.8 | 0 | 0 | 0 | 111.5 | S177 S178 L179 V258 L260 L264 N265 I271 | S177-D262 VanDerWaalsContact CB-OD2 3.25Å; S177-D262 WeakPolarHBondContact CB-OD2 3.22Å; S177-D262 PolarHBondContact OG-OD2 2.98Å; S178-D262 VanDerWaalsContact CB-OD1 3.28Å; S178-D262 WeakPolarHBondContact CB-OD1 3.41Å; S178-D262 PolarHBondContact N-OD1 3.47Å; S178-D262 PolarHBondContact N-OD2 2.91Å; L179-D262 VanDerWaalsContact CB-OD2 3.24Å; L179-D262 WeakPolarHBondContact CB-OD2 3.33Å; L179-D262 HydrophobicContact CD1-CB 3.8Å; L179-D262 HydrophobicContact CG-CB 4.16Å; L179-D262 PolarHBondContact N-OD2 3.37Å; V258-D262 PolarHBondContact O-N 3.42Å; L260-D262 VanDerWaalsContact C-N 3.32Å; L260-D262 PolarHBondContact O-N 3.23Å; D262-L264 VanDerWaalsContact C-N 3.27Å; D262-L264 PolarHBondContact O-N 3.5Å; D262-N265 PolarHBondContact O-N 3.08Å; D262-I271 HydrophobicContact CB-CD1 4.38Å |
| 263 | G | 89.4 | Confident | 82.8 | Confident | 9 Ų | 9 | 53.6 Ų | 53.6 | 9% | 0.093 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.5 | -33.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | R185 L259 L260 N265 | R185-G263 WeakPolarHBondContact CB-O 3.41Å; L259-G263 PolarHBondContact O-N 3.47Å; L260-G263 PolarHBondContact O-N 3.32Å; G263-N265 PolarHBondContact O-N 2.93Å |
| 264 | L | 90.4 | Very high | 82 | Confident | 112 Ų | 112 | 54.8 Ų | 54.8 | 59% | 0.586 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | 3.6 | 175.4 | -65.6 | 173.6 | 0 | 0 | 0 | 113.7 | V189 L260 L261 D262 C266 | V189-L264 HydrophobicContact CG2-CD2 4.25Å; V189-L264 HydrophobicContact CG2-CG 4.45Å; L260-L264 HydrophobicContact CD1-CD1 4.35Å; L260-L264 HydrophobicContact CD1-CG 4.43Å; L260-L264 HydrophobicContact CG-CD1 4.16Å; L260-L264 VanDerWaalsContact O-CG 3.29Å; L260-L264 WeakPolarHBondContact O-CG 3.4Å; L260-L264 PolarHBondContact O-N 3.25Å; L261-L264 PolarHBondContact O-N 3.44Å; D262-L264 VanDerWaalsContact C-N 3.27Å; D262-L264 PolarHBondContact O-N 3.5Å; L264-C266 PolarHBondContact O-N 3.2Å |
| 265 | N | 85.7 | Confident | 81.2 | Confident | 75 Ų | 75 | 54.1 Ų | 54.1 | 40% | 0.401 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | 39.6 | -179.6 | -166.2 | 44.1 | 0 | 0 | 0 | 114.1 | R185 L261 D262 G263 T267 | R185-N265 VanDerWaalsContact CZ-CG 3.49Å; R185-N265 VanDerWaalsContact NH1-CB 3.35Å; R185-N265 PolarHBondContact NH1-ND2 3.19Å; R185-N265 PolarHBondContact NH1-OD1 3.28Å; R185-N265 PolarHBondContact NH2-OD1 2.83Å; L261-N265 PolarHBondContact O-N 3.13Å; D262-N265 PolarHBondContact O-N 3.08Å; G263-N265 PolarHBondContact O-N 2.93Å; N265-T267 PolarHBondContact O-N 2.93Å; N265-T267 VanDerWaalsContact O-N 3.15Å |
| 266 | C | 81.4 | Confident | 80.6 | Confident | 44 Ų | 44 | 57 Ų | 57 | 30% | 0.297 | 31% | 0.312 | S | S | . | . | trans | -72.5 | 106 | 174 | -176.5 | 0 | 0 | 0 | 0 | 111.4 | L261 L264 C269 I271 | L261-C266 HydrophobicContact CB-CB 4.41Å; L261-C266 PolarHBondContact O-N 3.05Å; L264-C266 PolarHBondContact O-N 3.2Å; C266-C269 HydrophobicContact CB-CB 3.88Å; C266-C269 WeakPolarHBondContact CB-SG 3.42Å; C266-C269 WeakPolarHBondContact SG-CB 3.45Å; C266-C269 PolarHBondContact SG-N 3.19Å; C266-C269 CovalentContact SG-SG 2.03Å; C266-C269 PolarHBondContact SG-SG 3.46Å; C266-I271 HydrophobicContact CB-CD1 4.41Å | ||
| 267 | T | 70.7 | Confident | 80 | Confident | 109 Ų | 109 | 65.1 Ų | 65.1 | 67% | 0.669 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -26.9 | 179.9 | 52.1 | 0 | 0 | 0 | 0 | 113.7 | N265 | N265-T267 PolarHBondContact O-N 2.93Å; N265-T267 VanDerWaalsContact O-N 3.15Å |
| 268 | H | 70.1 | Confident | 79.5 | Confident | 179 Ų | 179 | 64 Ų | 64 | 83% | 0.829 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | 2.3 | -176 | -66.1 | -79.3 | 0 | 0 | 0 | 114.7 | G270 | H268-G270 PolarHBondContact O-N 2.96Š|
| 269 | C | 71.3 | Confident | 78.9 | Confident | 55 Ų | 55 | 65.3 Ų | 65.3 | 37% | 0.372 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -84.9 | 2.1 | -169.3 | -73.9 | 0 | 0 | 0 | 0 | 115 | C266 I271 | C266-C269 HydrophobicContact CB-CB 3.88Å; C266-C269 WeakPolarHBondContact CB-SG 3.42Å; C266-C269 WeakPolarHBondContact SG-CB 3.45Å; C266-C269 PolarHBondContact SG-N 3.19Å; C266-C269 CovalentContact SG-SG 2.03Å; C266-C269 PolarHBondContact SG-SG 3.46Å; C269-I271 HydrophobicContact CB-CD1 3.64Å; C269-I271 HydrophobicContact CB-CG1 3.55Å; C269-I271 PolarHBondContact O-N 3.49Å |
| 270 | G | 70.1 | Confident | 78.6 | Confident | 40 Ų | 40 | 66 Ų | 66 | 41% | 0.412 | 34% | 0.342 | S | S | . | . | trans | 59.2 | 23.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | H268 Q272 H273 | H268-G270 PolarHBondContact O-N 2.96Å; G270-Q272 VanDerWaalsContact C-N 3.26Å; G270-Q272 PolarHBondContact O-N 3.05Å; G270-Q272 VanDerWaalsContact O-N 3.16Å; G270-H273 PolarHBondContact O-N 3.36Å | ||
| 271 | I | 72.3 | Confident | 78.2 | Confident | 15 Ų | 15 | 67.1 Ų | 67.1 | 8% | 0.077 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -58.3 | -34.4 | -165.3 | -71.2 | 162.2 | 0 | 0 | 0 | 113 | L179 V258 L261 D262 C266 C269 H273 V274 | L179-I271 HydrophobicContact CD1-CG2 3.44Å; L179-I271 VanDerWaalsContact CD1-CG2 3.44Å; L179-I271 HydrophobicContact CD2-CG2 3.64Å; L179-I271 HydrophobicContact CG-CG2 3.57Å; V258-I271 HydrophobicContact CG1-CB 4.49Å; V258-I271 HydrophobicContact CG1-CG2 3.53Å; L261-I271 HydrophobicContact CB-CD1 3.84Å; D262-I271 HydrophobicContact CB-CD1 4.38Å; C266-I271 HydrophobicContact CB-CD1 4.41Å; C269-I271 HydrophobicContact CB-CD1 3.64Å; C269-I271 HydrophobicContact CB-CG1 3.55Å; C269-I271 PolarHBondContact O-N 3.49Å; I271-H273 PolarHBondContact O-N 2.94Å; I271-V274 PolarHBondContact O-N 3.15Å |
| 272 | Q | 67.8 | Low | 77.8 | Confident | 31 Ų | 31 | 64.4 Ų | 64.4 | 15% | 0.145 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.3 | -35.9 | -176.4 | -62.8 | -64 | -11 | 0 | 0 | 112.9 | S178 G270 V274 K275 | S178-Q272 PolarHBondContact O-NE2 3.43Å; G270-Q272 VanDerWaalsContact C-N 3.26Å; G270-Q272 PolarHBondContact O-N 3.05Å; G270-Q272 VanDerWaalsContact O-N 3.16Å; Q272-V274 VanDerWaalsContact C-N 3.27Å; Q272-V274 PolarHBondContact O-N 3.11Å; Q272-K275 WeakPolarHBondContact O-CB 3.47Å; Q272-K275 PolarHBondContact O-N 2.94Å |
| 273 | H | 67.7 | Low | 77.7 | Confident | 129 Ų | 129 | 64.3 Ų | 64.3 | 60% | 0.597 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -70.9 | -23.9 | -178.9 | -62.2 | -62.1 | 0 | 0 | 0 | 113.2 | G270 I271 | G270-H273 PolarHBondContact O-N 3.36Å; I271-H273 PolarHBondContact O-N 2.94Å |
| 274 | V | 73 | Confident | 77.5 | Confident | 66 Ų | 66 | 66.7 Ų | 66.7 | 40% | 0.4 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -89.6 | -10.6 | -177.1 | -165.4 | 0 | 0 | 0 | 0 | 111.6 | I271 Q272 R276 W277 F278 | I271-V274 PolarHBondContact O-N 3.15Å; Q272-V274 VanDerWaalsContact C-N 3.27Å; Q272-V274 PolarHBondContact O-N 3.11Å; V274-R276 VanDerWaalsContact C-N 3.31Å; V274-R276 PolarHBondContact O-N 2.84Å; V274-W277 PolarHBondContact O-N 2.75Å; V274-W277 VanDerWaalsContact O-N 3.14Å; V274-F278 PolarHBondContact O-N 3.01Å |
| 275 | K | 74.6 | Confident | 77.3 | Confident | 48 Ų | 48 | 61.4 Ų | 61.4 | 21% | 0.209 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -52.7 | -44.9 | -175.6 | 179.1 | 167.8 | -170.4 | 169.5 | 0 | 113.8 | L179 Q272 F278 L279 | L179-K275 HydrophobicContact CD2-CB 4.25Å; L179-K275 HydrophobicContact CD2-CD 3.92Å; L179-K275 HydrophobicContact CD2-CG 4.37Å; L179-K275 PolarHBondContact O-NZ 3.23Å; Q272-K275 WeakPolarHBondContact O-CB 3.47Å; Q272-K275 PolarHBondContact O-N 2.94Å; K275-F278 HydrophobicContact CB-CD1 4.37Å; K275-F278 HydrophobicContact CB-CE1 3.9Å; K275-F278 HydrophobicContact CG-CD1 4.41Å; K275-F278 HydrophobicContact CG-CE1 3.56Å; K275-F278 HydrophobicContact CG-CZ 4.07Å; K275-F278 WeakPolarHBondContact O-CD1 3.43Å; K275-F278 WeakPolarHBondContact O-CE1 3.15Å; K275-F278 WeakPolarHBondContact O-CG 3.37Å; K275-L279 HydrophobicContact CG-CD1 4.41Å; K275-L279 WeakPolarHBondContact O-CG 3.13Å; K275-L279 PolarHBondContact O-N 3.43Å |
| 276 | R | 74.8 | Confident | 77.4 | Confident | 67 Ų | 67 | 57.9 Ų | 57.9 | 25% | 0.253 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -69.9 | -37.1 | -175.9 | -59.8 | 174.5 | -175.2 | -161.9 | -2.8 | 111.9 | D23 V274 L279 L280 | D23-R276 IonicContact OD1-CZ 3.48Å; D23-R276 IonicContact OD1-NE 3.66Å; D23-R276 IonicContact OD1-NH2 3.73Å; D23-R276 PolarHBondContact OD1-NH2 3.38Å; D23-R276 IonicContact OD2-CZ 3.2Å; D23-R276 IonicContact OD2-NE 2.87Å; D23-R276 PolarHBondContact OD2-NE 3.17Å; D23-R276 IonicContact OD2-NH2 3.45Å; D23-R276 PolarHBondContact OD2-NH2 2.99Å; V274-R276 VanDerWaalsContact C-N 3.31Å; V274-R276 PolarHBondContact O-N 2.84Å; R276-L279 PolarHBondContact O-N 3.35Å; R276-L280 PolarHBondContact O-N 3.49Å; R276-L280 VanDerWaalsContact O-N 3.12Å |
| 277 | W | 78.8 | Confident | 77.6 | Confident | 173 Ų | 173 | 56.2 Ų | 56.2 | 66% | 0.655 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -68.8 | -39.3 | 179.9 | -63 | 108.5 | 0 | 0 | 0 | 112 | V274 L280 L281 | V274-W277 PolarHBondContact O-N 2.75Å; V274-W277 VanDerWaalsContact O-N 3.14Å; W277-L280 HydrophobicContact CE3-CD2 4.46Å; W277-L280 PolarHBondContact O-N 3.37Å; W277-L281 WeakPolarHBondContact O-CD1 3.42Å; W277-L281 PolarHBondContact O-N 3.34Å |
| 278 | F | 80.2 | Confident | 78.3 | Confident | 35 Ų | 35 | 54.5 Ų | 54.5 | 15% | 0.154 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -68.1 | -39.8 | 176.2 | 86.9 | -111.1 | 0 | 0 | 0 | 111.9 | V274 K275 L280 L281 A282 | V274-F278 PolarHBondContact O-N 3.01Å; K275-F278 HydrophobicContact CB-CD1 4.37Å; K275-F278 HydrophobicContact CB-CE1 3.9Å; K275-F278 HydrophobicContact CG-CD1 4.41Å; K275-F278 HydrophobicContact CG-CE1 3.56Å; K275-F278 HydrophobicContact CG-CZ 4.07Å; K275-F278 WeakPolarHBondContact O-CD1 3.43Å; K275-F278 WeakPolarHBondContact O-CE1 3.15Å; K275-F278 WeakPolarHBondContact O-CG 3.37Å; F278-L280 PolarHBondContact O-N 3.47Å; F278-L281 PolarHBondContact O-N 3.47Å; F278-L281 VanDerWaalsContact O-N 3.16Å; F278-A282 WeakPolarHBondContact O-CB 3.23Å; F278-A282 PolarHBondContact O-N 3.04Å |
| 279 | L | 78.2 | Confident | 79 | Confident | 48 Ų | 48 | 46 Ų | 46 | 25% | 0.251 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.5 | -37.3 | 177.5 | -74.6 | 172.9 | 0 | 0 | 0 | 110.6 | L86 K275 R276 L283 | L86-L279 HydrophobicContact CD2-CD2 4.11Å; K275-L279 HydrophobicContact CG-CD1 4.41Å; K275-L279 WeakPolarHBondContact O-CG 3.13Å; K275-L279 PolarHBondContact O-N 3.43Å; R276-L279 PolarHBondContact O-N 3.35Å; L279-L283 WeakPolarHBondContact O-CB 3.41Å; L279-L283 PolarHBondContact O-N 3.25Å |
| 280 | L | 82.1 | Confident | 79.5 | Confident | 49 Ų | 49 | 43.7 Ų | 43.7 | 26% | 0.257 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -66.7 | -44.7 | 173.6 | -180 | 61.6 | 0 | 0 | 0 | 112.1 | F36 R276 W277 F278 A282 L283 L284 | F36-L280 HydrophobicContact CD1-CD1 4.21Å; F36-L280 HydrophobicContact CE1-CD1 3.72Å; R276-L280 PolarHBondContact O-N 3.49Å; R276-L280 VanDerWaalsContact O-N 3.12Å; W277-L280 HydrophobicContact CE3-CD2 4.46Å; W277-L280 PolarHBondContact O-N 3.37Å; F278-L280 PolarHBondContact O-N 3.47Å; L280-A282 VanDerWaalsContact C-N 3.31Å; L280-A282 PolarHBondContact O-N 2.65Å; L280-L283 HydrophobicContact CD1-CD2 4.33Å; L280-L283 WeakPolarHBondContact O-CB 3.46Å; L280-L283 PolarHBondContact O-N 2.84Å; L280-L284 HydrophobicContact CD1-CG 4.39Å; L280-L284 HydrophobicContact CG-CD1 4.29Å; L280-L284 VanDerWaalsContact O-CG 3.32Å; L280-L284 WeakPolarHBondContact O-CG 3.47Å; L280-L284 PolarHBondContact O-N 3.49Å |
| 281 | L | 85.2 | Confident | 80.1 | Confident | 61 Ų | 61 | 45.4 Ų | 45.4 | 32% | 0.319 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.2 | -41.2 | 175.2 | -100.4 | 109.8 | 0 | 0 | 0 | 112.2 | C251 W277 F278 L283 L284 N285 | C251-L281 HydrophobicContact CB-CD2 4.41Å; W277-L281 WeakPolarHBondContact O-CD1 3.42Å; W277-L281 PolarHBondContact O-N 3.34Å; F278-L281 PolarHBondContact O-N 3.47Å; F278-L281 VanDerWaalsContact O-N 3.16Å; L281-L283 VanDerWaalsContact C-N 3.34Å; L281-L284 PolarHBondContact O-N 3.09Å; L281-N285 PolarHBondContact O-N 2.95Å; L281-N285 VanDerWaalsContact O-N 3.13Å |
| 282 | A | 81.9 | Confident | 80.6 | Confident | 2 Ų | 2 | 45.2 Ų | 45.2 | 2% | 0.017 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.8 | -39 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | Y83 W252 F278 L280 N285 | Y83-A282 WeakPolarHBondContact OH-CB 3.47Å; Y83-A282 PolarHBondContact OH-O 3.26Å; W252-A282 HydrophobicContact CD2-CB 4.37Å; W252-A282 HydrophobicContact CE3-CB 4.19Å; W252-A282 HydrophobicContact CH2-CB 3.55Å; W252-A282 HydrophobicContact CZ2-CB 3.72Å; W252-A282 HydrophobicContact CZ3-CB 3.79Å; F278-A282 WeakPolarHBondContact O-CB 3.23Å; F278-A282 PolarHBondContact O-N 3.04Å; L280-A282 VanDerWaalsContact C-N 3.31Å; L280-A282 PolarHBondContact O-N 2.65Å; A282-N285 WeakPolarHBondContact O-CB 3.47Å; A282-N285 PolarHBondContact O-N 3.13Å |
| 283 | L | 85.6 | Confident | 81 | Confident | 3 Ų | 3 | 43.9 Ų | 43.9 | 2% | 0.016 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.4 | -45.6 | 173.7 | -177.6 | 72.2 | 0 | 0 | 0 | 111.5 | F40 I44 Y83 L279 L280 L281 N285 S286 | F40-L283 HydrophobicContact CB-CD1 4.44Å; F40-L283 HydrophobicContact CB-CD2 3.73Å; F40-L283 HydrophobicContact CB-CG 4.1Å; F40-L283 HydrophobicContact CD2-CD2 4.28Å; F40-L283 HydrophobicContact CG-CD2 4.19Å; I44-L283 HydrophobicContact CD1-CD1 3.63Å; I44-L283 HydrophobicContact CD1-CG 4.36Å; Y83-L283 HydrophobicContact CD1-CD1 4.26Å; Y83-L283 HydrophobicContact CD2-CD1 3.53Å; Y83-L283 HydrophobicContact CE2-CD1 3.96Å; Y83-L283 HydrophobicContact CG-CD1 3.71Å; L279-L283 WeakPolarHBondContact O-CB 3.41Å; L279-L283 PolarHBondContact O-N 3.25Å; L280-L283 HydrophobicContact CD1-CD2 4.33Å; L280-L283 WeakPolarHBondContact O-CB 3.46Å; L280-L283 PolarHBondContact O-N 2.84Å; L281-L283 VanDerWaalsContact C-N 3.34Å; L283-N285 PolarHBondContact O-N 3.48Å; L283-S286 PolarHBondContact O-N 3.35Å |
| 284 | L | 85.4 | Confident | 81.4 | Confident | 59 Ų | 59 | 39 Ų | 39 | 31% | 0.309 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -61.4 | -31.9 | 179.9 | -72 | 173 | 0 | 0 | 0 | 112.1 | F40 L280 L281 S286 V287 M288 | F40-L284 HydrophobicContact CE1-CD2 4.06Å; F40-L284 HydrophobicContact CZ-CD2 4.35Å; L280-L284 HydrophobicContact CD1-CG 4.39Å; L280-L284 HydrophobicContact CG-CD1 4.29Å; L280-L284 VanDerWaalsContact O-CG 3.32Å; L280-L284 WeakPolarHBondContact O-CG 3.47Å; L280-L284 PolarHBondContact O-N 3.49Å; L281-L284 PolarHBondContact O-N 3.09Å; L284-S286 VanDerWaalsContact C-N 3.31Å; L284-S286 PolarHBondContact O-N 3.5Å; L284-V287 WeakPolarHBondContact O-CB 3.35Å; L284-V287 PolarHBondContact O-N 2.86Å; L284-M288 VanDerWaalsContact O-CG 3.23Å; L284-M288 WeakPolarHBondContact O-CG 3.12Å; L284-M288 PolarHBondContact O-N 2.92Å |
| 285 | N | 86.7 | Confident | 81.5 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -54.8 | -45.1 | 175.4 | 174.7 | 69.4 | 0 | 0 | 0 | 112.7 | F248 C251 W252 L281 A282 L283 V287 M288 N289 | F248-N285 VanDerWaalsContact CA-OD1 3.31Å; F248-N285 WeakPolarHBondContact CA-OD1 3.46Å; F248-N285 WeakPolarHBondContact CD2-ND2 3.46Å; F248-N285 WeakPolarHBondContact CD2-OD1 3.16Å; F248-N285 VanDerWaalsContact CE2-ND2 3.29Å; F248-N285 WeakPolarHBondContact CE2-ND2 3.39Å; C251-N285 HydrophobicContact CB-CB 3.86Å; W252-N285 PolarHBondContact NE1-ND2 3.01Å; L281-N285 PolarHBondContact O-N 2.95Å; L281-N285 VanDerWaalsContact O-N 3.13Å; A282-N285 WeakPolarHBondContact O-CB 3.47Å; A282-N285 PolarHBondContact O-N 3.13Å; L283-N285 PolarHBondContact O-N 3.48Å; N285-V287 VanDerWaalsContact C-N 3.25Å; N285-V287 PolarHBondContact O-N 3.2Å; N285-M288 PolarHBondContact O-N 3.38Å; N285-N289 PolarHBondContact O-N 3.27Å |
| 286 | S | 87.6 | Confident | 81.2 | Confident | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.014 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -72.6 | -18.4 | 179.1 | -64.1 | 0 | 0 | 0 | 0 | 113.5 | N48 D76 L283 L284 | N48-S286 PolarHBondContact ND2-O 3.48Å; D76-S286 WeakPolarHBondContact OD1-CA 3.36Å; D76-S286 WeakPolarHBondContact OD1-CB 3.33Å; D76-S286 PolarHBondContact OD1-OG 2.79Å; L283-S286 PolarHBondContact O-N 3.35Å; L284-S286 VanDerWaalsContact C-N 3.31Å; L284-S286 PolarHBondContact O-N 3.5Å |
| 287 | V | 86.6 | Confident | 81 | Confident | 8 Ų | 8 | 43.7 Ų | 43.7 | 5% | 0.048 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -80.3 | -39.1 | 172.9 | 174.8 | 0 | 0 | 0 | 0 | 110.9 | F40 F43 I44 L284 N285 N289 I291 | F40-V287 HydrophobicContact CB-CG2 4.31Å; F40-V287 HydrophobicContact CD1-CG1 4.22Å; F40-V287 HydrophobicContact CD1-CG2 3.6Å; F40-V287 HydrophobicContact CE1-CG1 4.36Å; F40-V287 HydrophobicContact CE1-CG2 4.42Å; F40-V287 HydrophobicContact CG-CG2 4.33Å; F43-V287 HydrophobicContact CD1-CB 4.37Å; F43-V287 HydrophobicContact CD1-CG1 3.73Å; F43-V287 HydrophobicContact CD1-CG2 4.34Å; F43-V287 HydrophobicContact CE1-CB 4.47Å; F43-V287 HydrophobicContact CE1-CG1 3.65Å; I44-V287 HydrophobicContact CD1-CG2 3.97Å; I44-V287 HydrophobicContact CG1-CG2 3.68Å; L284-V287 WeakPolarHBondContact O-CB 3.35Å; L284-V287 PolarHBondContact O-N 2.86Å; N285-V287 VanDerWaalsContact C-N 3.25Å; N285-V287 PolarHBondContact O-N 3.2Å; V287-N289 VanDerWaalsContact C-N 3.32Å; V287-N289 PolarHBondContact O-N 3.38Å; V287-I291 HydrophobicContact CG1-CD1 4.02Å |
| 288 | M | 85.1 | Confident | 80.7 | Confident | 74 Ų | 74 | 41 Ų | 41 | 37% | 0.365 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -67.2 | -31.9 | -175.3 | -72.9 | -61.7 | -68.7 | 0 | 0 | 112.7 | L284 N285 I291 I292 | L284-M288 VanDerWaalsContact O-CG 3.23Å; L284-M288 WeakPolarHBondContact O-CG 3.12Å; L284-M288 PolarHBondContact O-N 2.92Å; N285-M288 PolarHBondContact O-N 3.38Å; M288-I291 PolarHBondContact O-N 2.79Å; M288-I292 HydrophobicContact CB-CD1 4.09Å; M288-I292 HydrophobicContact CE-CD1 4.39Å; M288-I292 HydrophobicContact CE-CG1 4.5Å; M288-I292 WeakPolarHBondContact O-CB 3.46Å; M288-I292 WeakPolarHBondContact O-CD1 3.1Å; M288-I292 WeakPolarHBondContact O-CG1 3.48Å; M288-I292 PolarHBondContact O-N 3.49Å |
| 289 | N | 83.9 | Confident | 80.4 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.1 | -55.4 | -174.1 | -70.7 | -22.3 | 0 | 0 | 0 | 112.9 | D76 L244 N285 V287 I291 I292 Y293 | D76-N289 PolarHBondContact OD2-ND2 3.46Å; L244-N289 HydrophobicContact CD2-CB 4.27Å; N285-N289 PolarHBondContact O-N 3.27Å; V287-N289 VanDerWaalsContact C-N 3.32Å; V287-N289 PolarHBondContact O-N 3.38Å; N289-I291 VanDerWaalsContact C-N 3.33Å; N289-I291 PolarHBondContact O-N 2.93Å; N289-I292 PolarHBondContact O-N 3.26Å; N289-Y293 HydrophobicContact CB-CE2 4.09Å; N289-Y293 WeakPolarHBondContact O-CD2 3.39Å; N289-Y293 WeakPolarHBondContact O-CE2 3.45Å; N289-Y293 PolarHBondContact O-N 3.24Å |
| 290 | P | 82.5 | Confident | 80.3 | Confident | 5 Ų | 5 | 40.3 Ų | 40.3 | 3% | 0.032 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.7 | -36.3 | 173.6 | -28.4 | 37.6 | 0 | 0 | 0 | 115.4 | S47 N48 V51 Y293 S294 | S47-P290 WeakPolarHBondContact OG-CG 3.18Å; N48-P290 WeakPolarHBondContact OD1-CG 3.43Å; V51-P290 HydrophobicContact CG2-CB 4.17Å; V51-P290 HydrophobicContact CG2-CG 4.2Å; P290-Y293 PolarHBondContact O-N 3.1Å; P290-S294 WeakPolarHBondContact O-CB 3.2Å; P290-S294 PolarHBondContact O-N 2.89Å; P290-S294 PolarHBondContact O-OG 3.48Å |
| 291 | I | 82.3 | Confident | 80.1 | Confident | 77 Ų | 77 | 43.6 Ų | 43.6 | 40% | 0.395 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64.7 | -44.8 | 177.9 | -62.8 | 172.9 | 0 | 0 | 0 | 109.8 | F43 V287 M288 N289 S294 Y295 | F43-I291 HydrophobicContact CE1-CD1 4.49Å; F43-I291 HydrophobicContact CZ-CD1 4.43Å; F43-I291 HydrophobicContact CZ-CG1 4.28Å; V287-I291 HydrophobicContact CG1-CD1 4.02Å; M288-I291 PolarHBondContact O-N 2.79Å; N289-I291 VanDerWaalsContact C-N 3.33Å; N289-I291 PolarHBondContact O-N 2.93Å; I291-S294 PolarHBondContact O-N 2.87Å; I291-Y295 WeakPolarHBondContact O-CB 3.34Å; I291-Y295 PolarHBondContact O-N 3.13Å |
| 292 | I | 81.8 | Confident | 79.7 | Confident | 10 Ų | 10 | 41.9 Ų | 41.9 | 5% | 0.051 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65 | -40.9 | 178.6 | -66.9 | 163.1 | 0 | 0 | 0 | 110.6 | T240 T243 L244 A247 M288 N289 K296 | T240-I292 HydrophobicContact CG2-CG2 4.04Å; T243-I292 HydrophobicContact CG2-CD1 4.13Å; T243-I292 HydrophobicContact CG2-CG1 4.21Å; T243-I292 HydrophobicContact CG2-CG2 4.07Å; L244-I292 HydrophobicContact CD2-CB 3.58Å; L244-I292 HydrophobicContact CD2-CD1 3.86Å; L244-I292 HydrophobicContact CD2-CG1 4.33Å; L244-I292 HydrophobicContact CD2-CG2 3.5Å; L244-I292 VanDerWaalsContact CD2-CG2 3.5Å; L244-I292 HydrophobicContact CG-CB 4.34Å; L244-I292 HydrophobicContact CG-CG2 3.69Å; A247-I292 HydrophobicContact CB-CD1 4.14Å; M288-I292 HydrophobicContact CB-CD1 4.09Å; M288-I292 HydrophobicContact CE-CD1 4.39Å; M288-I292 HydrophobicContact CE-CG1 4.5Å; M288-I292 WeakPolarHBondContact O-CB 3.46Å; M288-I292 WeakPolarHBondContact O-CD1 3.1Å; M288-I292 WeakPolarHBondContact O-CG1 3.48Å; M288-I292 PolarHBondContact O-N 3.49Å; N289-I292 PolarHBondContact O-N 3.26Å; I292-K296 HydrophobicContact CG2-CG 4.22Å; I292-K296 VanDerWaalsContact O-CB 3.28Å; I292-K296 WeakPolarHBondContact O-CB 3.38Å; I292-K296 VanDerWaalsContact O-CG 3.26Å; I292-K296 WeakPolarHBondContact O-CG 3.49Å; I292-K296 PolarHBondContact O-N 3.28Å; I292-K296 VanDerWaalsContact O-N 3.11Å |
| 293 | Y | 77.2 | Confident | 79.6 | Confident | 4 Ų | 4 | 42.2 Ų | 42.2 | 2% | 0.016 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.2 | -47.2 | 174.5 | -54.4 | -36.8 | 0 | 0 | 0 | 111.6 | V51 L69 L72 L244 N289 P290 Y295 K296 D297 | V51-Y293 HydrophobicContact CG1-CD2 4.08Å; V51-Y293 HydrophobicContact CG1-CE2 4.14Å; V51-Y293 HydrophobicContact CG2-CD2 3.7Å; V51-Y293 HydrophobicContact CG2-CE2 4.1Å; L69-Y293 HydrophobicContact CD1-CD1 4Å; L69-Y293 HydrophobicContact CD1-CE1 3.23Å; L69-Y293 HydrophobicContact CD2-CD1 4.14Å; L69-Y293 HydrophobicContact CD2-CE1 4.12Å; L69-Y293 HydrophobicContact CG-CD1 4.37Å; L69-Y293 HydrophobicContact CG-CE1 3.84Å; L69-Y293 HydrophobicContact CG-CE2 4.46Å; L72-Y293 VanDerWaalsContact CD2-OH 3.28Å; L72-Y293 WeakPolarHBondContact CD2-OH 3.48Å; L244-Y293 HydrophobicContact CD1-CD1 4.04Å; L244-Y293 HydrophobicContact CD1-CE1 3.35Å; L244-Y293 HydrophobicContact CD2-CD1 3.97Å; L244-Y293 HydrophobicContact CD2-CE1 3.43Å; L244-Y293 VanDerWaalsContact CD2-CE1 3.43Å; L244-Y293 HydrophobicContact CG-CE1 4.01Å; N289-Y293 HydrophobicContact CB-CE2 4.09Å; N289-Y293 WeakPolarHBondContact O-CD2 3.39Å; N289-Y293 WeakPolarHBondContact O-CE2 3.45Å; N289-Y293 PolarHBondContact O-N 3.24Å; P290-Y293 PolarHBondContact O-N 3.1Å; Y293-Y295 PolarHBondContact O-N 3Å; Y293-K296 PolarHBondContact O-N 3.36Å; Y293-D297 PolarHBondContact O-N 2.75Å |
| 294 | S | 76.7 | Confident | 79.4 | Confident | 26 Ų | 26 | 42.2 Ų | 42.2 | 18% | 0.182 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.7 | -38.4 | -177.2 | -57.3 | 0 | 0 | 0 | 0 | 112.5 | P290 I291 W301 | P290-S294 WeakPolarHBondContact O-CB 3.2Å; P290-S294 PolarHBondContact O-N 2.89Å; P290-S294 PolarHBondContact O-OG 3.48Å; I291-S294 PolarHBondContact O-N 2.87Å; S294-W301 WeakPolarHBondContact O-CB 3.27Å |
| 295 | Y | 74 | Confident | 79.2 | Confident | 182 Ų | 182 | 46.8 Ų | 46.8 | 71% | 0.714 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -77.7 | -28.9 | -179.6 | -179.8 | -104.1 | 0 | 0 | 0 | 113.2 | I291 Y293 | I291-Y295 WeakPolarHBondContact O-CB 3.34Å; I291-Y295 PolarHBondContact O-N 3.13Å; Y293-Y295 PolarHBondContact O-N 3Å |
| 296 | K | 68.6 | Low | 79.1 | Confident | 74 Ų | 74 | 53 Ų | 53 | 32% | 0.322 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -104.1 | -19.8 | -169.9 | -62.2 | -75.6 | -171.4 | -176.6 | 0 | 114.6 | T240 I292 Y293 | T240-K296 HydrophobicContact CG2-CB 3.6Å; T240-K296 HydrophobicContact CG2-CG 4.07Å; T240-K296 WeakPolarHBondContact OG1-CB 3.49Å; I292-K296 HydrophobicContact CG2-CG 4.22Å; I292-K296 VanDerWaalsContact O-CB 3.28Å; I292-K296 WeakPolarHBondContact O-CB 3.38Å; I292-K296 VanDerWaalsContact O-CG 3.26Å; I292-K296 WeakPolarHBondContact O-CG 3.49Å; I292-K296 PolarHBondContact O-N 3.28Å; I292-K296 VanDerWaalsContact O-N 3.11Å; Y293-K296 PolarHBondContact O-N 3.36Å |
| 297 | D | 71.6 | Confident | 78.8 | Confident | 23 Ų | 23 | 54.9 Ų | 54.9 | 12% | 0.123 | 25% | 0.251 | C | S | . | . | trans | -119.9 | 99 | 178.2 | -171.6 | -29.7 | 0 | 0 | 0 | 109.8 | Y66 Y293 E299 M300 W301 | Y66-D297 PolarHBondContact OH-OD2 3.28Å; Y293-D297 PolarHBondContact O-N 2.75Å; D297-E299 PolarHBondContact O-N 3.34Å; D297-E299 WeakPolarHBondContact OD1-CA 3.41Å; D297-E299 WeakPolarHBondContact OD1-CB 3.24Å; D297-E299 PolarHBondContact OD1-N 3.3Å; D297-M300 HydrophobicContact CB-CB 3.74Å; D297-M300 WeakPolarHBondContact O-CB 3.25Å; D297-M300 PolarHBondContact O-N 3.46Å; D297-M300 PolarHBondContact OD1-N 3.03Å; D297-W301 PolarHBondContact O-N 2.98Å | ||
| 298 | D | 71.4 | Confident | 78.6 | Confident | 116 Ų | 116 | 59.7 Ų | 59.7 | 62% | 0.62 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -58.5 | -30.6 | -179.6 | -61.5 | -45 | 0 | 0 | 0 | 112.1 | G302 | D298-G302 PolarHBondContact O-N 3.13Å |
| 299 | E | 74.4 | Confident | 78.3 | Confident | 68 Ų | 68 | 59.3 Ų | 59.3 | 32% | 0.318 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -77.6 | -39.1 | 179.8 | -170.1 | 168.1 | -152.3 | 0 | 0 | 111.3 | R60 F61 D297 T303 | R60-E299 WeakPolarHBondContact CD-OE1 3.39Å; R60-E299 IonicContact CZ-OE1 2.86Å; R60-E299 IonicContact NE-OE1 2.86Å; R60-E299 IonicContact NH1-OE1 3.78Å; R60-E299 PolarHBondContact NH1-OE1 3.16Å; F61-E299 HydrophobicContact CE1-CB 4.36Å; F61-E299 HydrophobicContact CE1-CG 3.88Å; F61-E299 HydrophobicContact CZ-CB 4.39Å; F61-E299 HydrophobicContact CZ-CG 3.91Å; D297-E299 PolarHBondContact O-N 3.34Å; D297-E299 WeakPolarHBondContact OD1-CA 3.41Å; D297-E299 WeakPolarHBondContact OD1-CB 3.24Å; D297-E299 PolarHBondContact OD1-N 3.3Å; E299-T303 WeakPolarHBondContact O-CB 3.36Å; E299-T303 PolarHBondContact O-N 3.32Å; E299-T303 PolarHBondContact O-OG1 2.9Å |
| 300 | M | 75.2 | Confident | 77.3 | Confident | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.8 | -50.3 | 171.4 | -173.8 | 62.7 | 74.2 | 0 | 0 | 110.5 | A54 V55 F61 Y66 L69 D297 G302 T303 M304 | A54-M300 HydrophobicContact CB-SD 3.66Å; V55-M300 HydrophobicContact CG2-CE 4.13Å; F61-M300 HydrophobicContact CD2-CE 4.21Å; F61-M300 HydrophobicContact CE2-CE 4Å; F61-M300 HydrophobicContact CE2-SD 3.88Å; F61-M300 HydrophobicContact CZ-CB 4.44Å; F61-M300 HydrophobicContact CZ-CE 4.27Å; F61-M300 HydrophobicContact CZ-SD 4.31Å; Y66-M300 HydrophobicContact CD1-CE 4.15Å; Y66-M300 HydrophobicContact CE1-CE 4.24Å; L69-M300 HydrophobicContact CD2-CE 4.17Å; D297-M300 HydrophobicContact CB-CB 3.74Å; D297-M300 WeakPolarHBondContact O-CB 3.25Å; D297-M300 PolarHBondContact O-N 3.46Å; D297-M300 PolarHBondContact OD1-N 3.03Å; M300-G302 PolarHBondContact O-N 2.78Å; M300-T303 PolarHBondContact O-N 3.26Å; M300-T303 VanDerWaalsContact O-N 3.12Å; M300-M304 HydrophobicContact CG-CE 3.68Å; M300-M304 HydrophobicContact CG-SD 4.29Å; M300-M304 WeakPolarHBondContact O-CG 3.39Å; M300-M304 PolarHBondContact O-N 2.98Å; M300-M304 HydrophobicContact SD-CE 3.82Å |
| 301 | W | 78.6 | Confident | 75.9 | Confident | 118 Ų | 118 | 67.8 Ų | 67.8 | 45% | 0.447 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58.8 | -46.5 | 177.2 | 174.7 | -122.5 | 0 | 0 | 0 | 112.6 | S294 D297 T303 M304 R305 | S294-W301 WeakPolarHBondContact O-CB 3.27Å; D297-W301 PolarHBondContact O-N 2.98Å; W301-T303 PolarHBondContact O-N 3.13Å; W301-M304 PolarHBondContact O-N 3.48Å; W301-R305 WeakPolarHBondContact O-CB 3.42Å; W301-R305 PolarHBondContact O-N 3.3Å |
| 302 | G | 77.6 | Confident | 74.2 | Confident | 26 Ų | 26 | 69.8 Ų | 69.8 | 27% | 0.268 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.2 | -31.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | D298 M300 R306 | D298-G302 PolarHBondContact O-N 3.13Å; M300-G302 PolarHBondContact O-N 2.78Å; G302-R306 VanDerWaalsContact O-CG 3.28Å; G302-R306 WeakPolarHBondContact O-CG 3.2Å; G302-R306 PolarHBondContact O-N 3.31Å; G302-R306 PolarHBondContact O-NE 3.23Å |
| 303 | T | 78.7 | Confident | 72.6 | Confident | 9 Ų | 9 | 75.5 Ų | 75.5 | 6% | 0.055 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -75.1 | -44.7 | 174.8 | -54.2 | 0 | 0 | 0 | 0 | 111.4 | A54 N58 F61 E299 M300 W301 R306 M307 | A54-T303 HydrophobicContact CB-CG2 4.06Å; N58-T303 HydrophobicContact CB-CG2 4.19Å; N58-T303 PolarHBondContact ND2-OG1 3.1Å; F61-T303 HydrophobicContact CE2-CG2 4.31Å; E299-T303 WeakPolarHBondContact O-CB 3.36Å; E299-T303 PolarHBondContact O-N 3.32Å; E299-T303 PolarHBondContact O-OG1 2.9Å; M300-T303 PolarHBondContact O-N 3.26Å; M300-T303 VanDerWaalsContact O-N 3.12Å; W301-T303 PolarHBondContact O-N 3.13Å; T303-R306 PolarHBondContact O-N 3.27Å; T303-R306 PolarHBondContact OG1-NH2 2.91Å; T303-M307 HydrophobicContact CG2-CE 4.34Å; T303-M307 WeakPolarHBondContact O-CG 3.43Å; T303-M307 PolarHBondContact O-N 3.22Å |
| 304 | M | 81.5 | Confident | 71.1 | Confident | 3 Ų | 3 | 82.4 Ų | 82.4 | 2% | 0.015 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -60.1 | -46.6 | 175.5 | -71.9 | -176.6 | 176.9 | 0 | 0 | 112.3 | L50 V51 A54 M300 W301 R306 M307 I308 | L50-M304 HydrophobicContact CD2-CB 3.72Å; L50-M304 HydrophobicContact CD2-CG 3.79Å; L50-M304 HydrophobicContact CD2-SD 4.1Å; L50-M304 HydrophobicContact CG-CB 4.23Å; L50-M304 HydrophobicContact CG-CG 3.93Å; V51-M304 HydrophobicContact CB-CE 3.99Å; V51-M304 HydrophobicContact CG2-CE 3.33Å; A54-M304 HydrophobicContact CB-CG 4.49Å; M300-M304 HydrophobicContact CG-CE 3.68Å; M300-M304 HydrophobicContact CG-SD 4.29Å; M300-M304 WeakPolarHBondContact O-CG 3.39Å; M300-M304 PolarHBondContact O-N 2.98Å; M300-M304 HydrophobicContact SD-CE 3.82Å; W301-M304 PolarHBondContact O-N 3.48Å; M304-R306 PolarHBondContact O-N 2.66Å; M304-M307 HydrophobicContact CG-CE 4.44Å; M304-M307 WeakPolarHBondContact O-CB 3.23Å; M304-M307 PolarHBondContact O-N 3.43Å; M304-M307 VanDerWaalsContact O-N 3.14Å; M304-I308 WeakPolarHBondContact O-CG1 3.38Å; M304-I308 PolarHBondContact O-N 3.03Å |
| 305 | R | 82.3 | Confident | 69.3 | Low | 154 Ų | 154 | 90.5 Ų | 90.5 | 58% | 0.581 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -60.1 | -43.4 | 177.9 | -175.6 | 179.3 | 176.2 | -173.1 | -0.4 | 112 | W301 M307 I308 C309 | W301-R305 WeakPolarHBondContact O-CB 3.42Å; W301-R305 PolarHBondContact O-N 3.3Å; R305-M307 VanDerWaalsContact C-N 3.27Å; R305-M307 PolarHBondContact O-N 3.45Å; R305-I308 PolarHBondContact O-N 3.27Å; R305-C309 WeakPolarHBondContact O-CB 3.46Å; R305-C309 PolarHBondContact O-N 3.32Å; R305-C309 PolarHBondContact O-SG 3.46Å |
| 306 | R | 82.8 | Confident | 67.5 | Low | 133 Ų | 133 | 86.2 Ų | 86.2 | 50% | 0.502 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61 | -36.7 | 176 | -78.6 | -178.7 | -68.6 | 161.5 | -0.4 | 112.4 | G302 T303 M304 C310 | G302-R306 VanDerWaalsContact O-CG 3.28Å; G302-R306 WeakPolarHBondContact O-CG 3.2Å; G302-R306 PolarHBondContact O-N 3.31Å; G302-R306 PolarHBondContact O-NE 3.23Å; T303-R306 PolarHBondContact O-N 3.27Å; T303-R306 PolarHBondContact OG1-NH2 2.91Å; M304-R306 PolarHBondContact O-N 2.66Å; R306-C310 PolarHBondContact O-N 2.85Å |
| 307 | M | 82.9 | Confident | 66.1 | Low | 41 Ų | 41 | 89 Ų | 89 | 20% | 0.202 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -71.6 | -40 | 176.3 | -68 | -172 | -67.9 | 0 | 0 | 112.8 | L50 A53 A54 K57 T303 M304 R305 | L50-M307 HydrophobicContact CD1-CB 3.97Å; L50-M307 HydrophobicContact CD1-CE 3.59Å; L50-M307 HydrophobicContact CD1-SD 4.34Å; L50-M307 HydrophobicContact CG-CE 3.99Å; A53-M307 HydrophobicContact CB-SD 4.14Å; A54-M307 HydrophobicContact CB-CE 3.57Å; K57-M307 HydrophobicContact CD-SD 3.99Å; T303-M307 HydrophobicContact CG2-CE 4.34Å; T303-M307 WeakPolarHBondContact O-CG 3.43Å; T303-M307 PolarHBondContact O-N 3.22Å; M304-M307 HydrophobicContact CG-CE 4.44Å; M304-M307 WeakPolarHBondContact O-CB 3.23Å; M304-M307 PolarHBondContact O-N 3.43Å; M304-M307 VanDerWaalsContact O-N 3.14Å; R305-M307 VanDerWaalsContact C-N 3.27Å; R305-M307 PolarHBondContact O-N 3.45Å |
| 308 | I | 81.5 | Confident | 64.4 | Low | 109 Ų | 109 | 95.8 Ų | 95.8 | 56% | 0.559 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -70.1 | -42.9 | 178.6 | -66.3 | 165.9 | 0 | 0 | 0 | 111.1 | L50 M304 R305 C310 | L50-I308 HydrophobicContact CD1-CG1 4.37Å; L50-I308 HydrophobicContact CD2-CD1 3.67Å; L50-I308 HydrophobicContact CD2-CG1 3.96Å; M304-I308 WeakPolarHBondContact O-CG1 3.38Å; M304-I308 PolarHBondContact O-N 3.03Å; R305-I308 PolarHBondContact O-N 3.27Å; I308-C310 VanDerWaalsContact C-N 3.28Å; I308-C310 PolarHBondContact O-N 2.69Å |
| 309 | C | 79.8 | Confident | 62.7 | Low | 65 Ų | 65 | 100.9 Ų | 100.9 | 44% | 0.439 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 1 | -173.5 | -64.9 | 0 | 0 | 0 | 0 | 114 | R305 S311 | R305-C309 WeakPolarHBondContact O-CB 3.46Å; R305-C309 PolarHBondContact O-N 3.32Å; R305-C309 PolarHBondContact O-SG 3.46Å; C309-S311 WeakPolarHBondContact CB-OG 3.28Å; C309-S311 PolarHBondContact O-N 3.37Å; C309-S311 PolarHBondContact O-OG 2.76Å |
| 310 | C | 61.4 | Low | 60.7 | Low | 112 Ų | 112 | 108.7 Ų | 108.7 | 76% | 0.757 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 40.6 | 26.8 | -173.5 | -72.1 | 0 | 0 | 0 | 0 | 113.7 | R306 I308 S312 | R306-C310 PolarHBondContact O-N 2.85Å; I308-C310 VanDerWaalsContact C-N 3.28Å; I308-C310 PolarHBondContact O-N 2.69Å; C310-S312 PolarHBondContact O-N 3.5Å; C310-S312 VanDerWaalsContact O-N 3.12Å |
| 311 | S | 53.2 | Low | 58.8 | Low | 72 Ų | 72 | 114.4 Ų | 114.4 | 50% | 0.503 | 58% | 0.582 | S | S | . | * | trans | -85.1 | 104.4 | -169.8 | -62.9 | 0 | 0 | 0 | 0 | 106.3 | C309 D313 | C309-S311 WeakPolarHBondContact CB-OG 3.28Å; C309-S311 PolarHBondContact O-N 3.37Å; C309-S311 PolarHBondContact O-OG 2.76Å; S311-D313 PolarHBondContact O-N 3.08Å | ||
| 312 | S | 47.5 | Very low | 56.7 | Low | 120 Ų | 120 | 113.1 Ų | 113.1 | 84% | 0.839 | 59% | 0.591 | S | S | * | * | trans | -57 | 77.2 | 165 | -59.8 | 0 | 0 | 0 | 0 | 109.8 | C310 | C310-S312 PolarHBondContact O-N 3.5Å; C310-S312 VanDerWaalsContact O-N 3.12Å | ||
| 313 | D | 47.7 | Very low | 54.5 | Low | 129 Ų | 129 | 122.8 Ų | 122.8 | 69% | 0.69 | 62% | 0.619 | S | S | * | * | trans | -102.4 | 45.5 | 162.8 | -125.7 | -2 | 0 | 0 | 0 | 108.6 | S311 K315 | S311-D313 PolarHBondContact O-N 3.08Å; D313-K315 PolarHBondContact O-N 3.14Å; D313-K315 VanDerWaalsContact O-N 3.17Å | ||
| 314 | D | 45.3 | Very low | 52.5 | Low | 150 Ų | 150 | 129.6 Ų | 129.6 | 80% | 0.802 | 65% | 0.654 | S | S | * | * | trans | -85.1 | 70.5 | 171.4 | -162.1 | 17.4 | 0 | 0 | 0 | 108.1 | ||||
| 315 | K | 39.5 | Very low | 50.2 | Low | 195 Ų | 195 | 134.7 Ų | 134.7 | 85% | 0.848 | 69% | 0.687 | S | S | * | * | S | Bend | trans | 178.3 | 62.9 | 167 | -101.5 | 163 | -164.9 | -178.1 | 0 | 112.8 | D313 | D313-K315 PolarHBondContact O-N 3.14Å; D313-K315 VanDerWaalsContact O-N 3.17Å |
| 316 | S | 37 | Very low | 47.8 | Very low | 92 Ų | 92 | 132.9 Ų | 132.9 | 64% | 0.643 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -156.4 | -17.1 | 161.3 | 58 | 0 | 0 | 0 | 0 | 118 | ||
| 317 | Q | 38.2 | Very low | 45.6 | Very low | 134 Ų | 134 | 133 Ų | 133 | 63% | 0.626 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -94.5 | -19.2 | -177.7 | -95.6 | -175.7 | 8.7 | 0 | 0 | 116.6 | ||
| 318 | D | 37.1 | Very low | 43.3 | Very low | 164 Ų | 164 | 137 Ų | 137 | 88% | 0.877 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -87 | -5 | 178.8 | -94.8 | -8.4 | 0 | 0 | 0 | 114.9 | ||
| 319 | R | 34.7 | Very low | 40.8 | Very low | 224 Ų | 224 | 139.7 Ų | 139.7 | 85% | 0.845 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -92.3 | 5 | 178.6 | -80.1 | -172.3 | 176.5 | -173.7 | -1.7 | 115.6 | ||
| 320 | R | 33.3 | Very low | 38.3 | Very low | 232 Ų | 232 | 142.3 Ų | 142.3 | 88% | 0.875 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -97.5 | 3.6 | -178.7 | -128.9 | 176.9 | -173.2 | -170.3 | 2.1 | 115.3 | ||
| 321 | S | 34.8 | Very low | 36.8 | Very low | 120 Ų | 120 | 148.9 Ų | 148.9 | 84% | 0.839 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -113.1 | 16.8 | 177.7 | -164.2 | 0 | 0 | 0 | 0 | 115.1 | ||
| 322 | S | 34.5 | Very low | 35.7 | Very low | 92 Ų | 92 | 148.8 Ų | 148.8 | 64% | 0.643 | 79% | 0.792 | S | S | * | * | trans | -135.5 | 61.3 | 173.8 | 61.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 323 | R | 32.1 | Very low | 34.8 | Very low | 229 Ų | 229 | 149 Ų | 149 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | trans | -113.7 | 80.1 | 155.1 | -100.4 | -171.4 | -105.1 | -153.3 | -6.2 | 107.4 | ||||
| 324 | I | 36.7 | Very low | 33.7 | Very low | 151 Ų | 151 | 151.5 Ų | 151.5 | 77% | 0.774 | 80% | 0.796 | S | S | * | * | trans | -74 | 119.6 | 150.1 | -61.3 | 172.4 | 0 | 0 | 0 | 104 | S326 | I324-S326 PolarHBondContact O-N 3.45Š| ||
| 325 | P | 32.4 | Very low | 32.8 | Very low | 110 Ų | 110 | 148.5 Ų | 148.5 | 71% | 0.714 | 79% | 0.792 | S | S | * | * | trans | -66.9 | 117.9 | 168.1 | -5.9 | 22 | 0 | 0 | 0 | 106.4 | T327 | P325-T327 VanDerWaalsContact C-N 3.35Å; P325-T327 PolarHBondContact O-N 3Å | ||
| 326 | S | 32.1 | Very low | 32.1 | Very low | 116 Ų | 116 | 146.2 Ų | 146.2 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | trans | -59.6 | 101.5 | 166.7 | -50.6 | 0 | 0 | 0 | 0 | 107.5 | I324 V328 | I324-S326 PolarHBondContact O-N 3.45Å; S326-V328 PolarHBondContact O-N 2.95Å | ||
| 327 | T | 36.4 | Very low | 31.7 | Very low | 135 Ų | 135 | 145.5 Ų | 145.5 | 83% | 0.828 | 80% | 0.802 | S | S | * | * | trans | -60.9 | 121.9 | 168.2 | 2.7 | 0 | 0 | 0 | 0 | 107.7 | P325 L329 | P325-T327 VanDerWaalsContact C-N 3.35Å; P325-T327 PolarHBondContact O-N 3Å; T327-L329 PolarHBondContact O-N 3.34Å | ||
| 328 | V | 34.5 | Very low | 31 | Very low | 127 Ų | 127 | 147.8 Ų | 147.8 | 77% | 0.77 | 81% | 0.812 | S | S | * | * | trans | -54.5 | 114.1 | 172.9 | 174.5 | 0 | 0 | 0 | 0 | 108.3 | S326 C330 | S326-V328 PolarHBondContact O-N 2.95Å; V328-C330 PolarHBondContact O-N 2.87Å; V328-C330 VanDerWaalsContact O-N 3.14Å | ||
| 329 | L | 28.3 | Very low | 30.4 | Very low | 165 Ų | 165 | 151.3 Ų | 151.3 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | trans | -74.3 | 96.3 | 171.6 | -162.4 | 86.5 | 0 | 0 | 0 | 107.4 | T327 R331 | T327-L329 PolarHBondContact O-N 3.34Å; L329-R331 PolarHBondContact O-N 3.42Å | ||
| 330 | C | 28.4 | Very low | 30 | Very low | 119 Ų | 119 | 146.8 Ų | 146.8 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -67.6 | 113.4 | 167.1 | -77.4 | 0 | 0 | 0 | 0 | 108.4 | V328 G332 | V328-C330 PolarHBondContact O-N 2.87Å; V328-C330 VanDerWaalsContact O-N 3.14Å; C330-G332 PolarHBondContact O-N 3.48Å | ||
| 331 | R | 28.5 | Very low | 29.7 | Very low | 250 Ų | 250 | 144.2 Ų | 144.2 | 94% | 0.943 | 81% | 0.81 | S | S | * | * | trans | -78 | 109 | 173 | -166.9 | 176.6 | -174.5 | 172.5 | 0.5 | 107.8 | L329 | L329-R331 PolarHBondContact O-N 3.42Š| ||
| 332 | G | 30 | Very low | 29.4 | Very low | 71 Ų | 71 | 146 Ų | 146 | 73% | 0.732 | 81% | 0.811 | S | S | * | * | trans | -131.2 | 124.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | C330 | C330-G332 PolarHBondContact O-N 3.48Š| ||
| 333 | T | 28.9 | Very low | 29.1 | Very low | 125 Ų | 125 | 144.7 Ų | 144.7 | 77% | 0.767 | 81% | 0.811 | S | S | * | * | trans | -75 | 152.4 | -166.8 | -11 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 334 | E | 25.8 | Very low | 29.3 | Very low | 181 Ų | 181 | 141.7 Ų | 141.7 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | trans | 67.1 | 109.2 | 152.6 | -71.7 | 169 | -169.1 | 0 | 0 | 120.3 | ||||
| 335 | A | 26.6 | Very low | 28.9 | Very low | 86 Ų | 86 | 142.4 Ų | 142.4 | 71% | 0.711 | 81% | 0.814 | S | S | * | * | 150.6 | 121.8 | 101.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 336 | T | 24.8 | Very low | 28.6 | Very low | 147 Ų | 147 | 145.2 Ų | 145.2 | 90% | 0.902 | 82% | 0.818 | S | S | * | * | trans | 59.7 | 126.5 | 143.7 | 51.8 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 337 | G | 27.1 | Very low | 28.4 | Very low | 78 Ų | 78 | 143.4 Ų | 143.4 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | 121.6 | 91 | 139.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 338 | Q | 23.4 | Very low | 28 | Very low | 181 Ų | 181 | 143.4 Ų | 143.4 | 85% | 0.846 | 82% | 0.818 | S | S | * | * | trans | -54.2 | 136.4 | 160.4 | -76.8 | 156.5 | -79.9 | 0 | 0 | 111.4 | ||||
| 339 | Y | 24.5 | Very low | 27.7 | Very low | 238 Ų | 238 | 143.7 Ų | 143.7 | 93% | 0.933 | 82% | 0.819 | S | S | * | * | trans | -153.2 | 126.3 | 133.4 | -86.8 | -71.1 | 0 | 0 | 0 | 110.2 | ||||
| 340 | V | 26.5 | Very low | 27.8 | Very low | 129 Ų | 129 | 142 Ų | 142 | 78% | 0.782 | 82% | 0.82 | S | S | * | * | trans | -87.3 | 131.1 | 169 | 168.5 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 341 | E | 26.8 | Very low | 27.8 | Very low | 178 Ų | 178 | 139.9 Ų | 139.9 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | 176.4 | 152.1 | 115.9 | -134.2 | 168.3 | 143.4 | 0 | 0 | 111.3 | |||||
| 342 | D | 28.3 | Very low | 27.9 | Very low | 159 Ų | 159 | 138 Ų | 138 | 85% | 0.85 | 82% | 0.816 | S | S | * | * | trans | -55.4 | 151.1 | -167.6 | -58.7 | -60.4 | 0 | 0 | 0 | 115 | ||||
| 343 | G | 30.1 | Very low | 27.8 | Very low | 64 Ų | 64 | 138.1 Ų | 138.1 | 66% | 0.66 | 82% | 0.818 | S | S | * | * | cis | 150.1 | 96.3 | 14.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 344 | I | 34.6 | Very low | 27.9 | Very low | 165 Ų | 165 | 140 Ų | 140 | 85% | 0.846 | 82% | 0.823 | S | S | * | * | trans | -172.5 | 103.7 | 154.4 | -82.3 | 141.2 | 0 | 0 | 0 | 104.3 | ||||
| 345 | I | 28.1 | Very low | 28.2 | Very low | 166 Ų | 166 | 140.2 Ų | 140.2 | 85% | 0.851 | 83% | 0.829 | S | S | * | * | trans | -142.6 | 126.3 | 158.5 | -63 | -169.8 | 0 | 0 | 0 | 110.7 | ||||
| 346 | Q | 27.8 | Very low | 28.4 | Very low | 169 Ų | 169 | 139.4 Ų | 139.4 | 79% | 0.79 | 83% | 0.829 | S | S | * | * | trans | -54.4 | 136.5 | 171 | -69.9 | 155.7 | -54.4 | 0 | 0 | 112 | T348 | Q346-T348 PolarHBondContact O-N 2.95Š| ||
| 347 | G | 27.3 | Very low | 28.9 | Very low | 78 Ų | 78 | 140 Ų | 140 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | trans | -69.2 | 113.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 348 | T | 28.2 | Very low | 29.1 | Very low | 136 Ų | 136 | 146.1 Ų | 146.1 | 83% | 0.834 | 83% | 0.831 | S | S | * | * | trans | -68 | 132.7 | 173.8 | -43.3 | 0 | 0 | 0 | 0 | 111.3 | Q346 | Q346-T348 PolarHBondContact O-N 2.95Š| ||
| 349 | V | 28.6 | Very low | 29.4 | Very low | 132 Ų | 132 | 140.9 Ų | 140.9 | 80% | 0.8 | 83% | 0.826 | S | S | * | * | trans | -84.6 | 120.5 | 174.6 | 174.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 350 | C | 29.1 | Very low | 29.8 | Very low | 131 Ų | 131 | 137.4 Ų | 137.4 | 89% | 0.885 | 82% | 0.824 | S | S | * | * | trans | -83.6 | 114.2 | 166.7 | -95.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 351 | G | 28.1 | Very low | 30.2 | Very low | 73 Ų | 73 | 140.8 Ų | 140.8 | 75% | 0.753 | 85% | 0.853 | S | S | * | * | trans | -74.1 | 138.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | G353 | G351-G353 PolarHBondContact O-N 2.99Š| ||
| 352 | K | 30.9 | Very low | 30.3 | Very low | 211 Ų | 211 | 138.9 Ų | 138.9 | 92% | 0.917 | 85% | 0.854 | S | S | * | * | trans | -79.2 | 109.9 | 164.9 | -103.1 | 178.2 | 171.1 | 179.3 | 0 | 107.9 | ||||
| 353 | G | 29.2 | Very low | 30.4 | Very low | 74 Ų | 74 | 137.8 Ų | 137.8 | 76% | 0.763 | 85% | 0.854 | S | S | * | * | trans | -82.8 | 134.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | G351 | G351-G353 PolarHBondContact O-N 2.99Š| ||
| 354 | D | 29.3 | Very low | 30.5 | Very low | 163 Ų | 163 | 141.9 Ų | 141.9 | 87% | 0.872 | 87% | 0.865 | S | S | * | * | trans | -53.6 | 134.4 | 176.4 | -73.3 | -50.5 | 0 | 0 | 0 | 113.5 | G356 | D354-G356 PolarHBondContact O-N 3.43Š| ||
| 355 | L | 33.2 | Very low | 30.2 | Very low | 186 Ų | 186 | 140.6 Ų | 140.6 | 97% | 0.974 | 87% | 0.866 | S | S | * | * | trans | -90.6 | 91.4 | 158.9 | -95.6 | 145.5 | 0 | 0 | 0 | 107.5 | ||||
| 356 | G | 31.3 | Very low | 30.4 | Very low | 69 Ų | 69 | 139 Ų | 139 | 71% | 0.711 | 87% | 0.867 | S | S | * | * | trans | -82.3 | 128.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | D354 | D354-G356 PolarHBondContact O-N 3.43Š| ||
| 357 | D | 34 | Very low | 30.5 | Very low | 160 Ų | 160 | 137 Ų | 137 | 86% | 0.856 | 87% | 0.872 | S | S | * | * | trans | -49 | 134 | 164.2 | -164.1 | 6.4 | 0 | 0 | 0 | 112.6 | ||||
| 358 | K | 32.2 | Very low | 30.8 | Very low | 206 Ų | 206 | 141.2 Ų | 141.2 | 90% | 0.896 | 88% | 0.877 | S | S | * | * | trans | -166.9 | 124.2 | 156.3 | -108.9 | 179 | -170.5 | -174.9 | 0 | 110.7 | ||||
| 359 | G | 29.6 | Very low | 31 | Very low | 71 Ų | 71 | 141.6 Ų | 141.6 | 73% | 0.732 | 88% | 0.88 | S | S | * | * | trans | -86.7 | -170 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 360 | N | 32.1 | Very low | 31.2 | Very low | 166 Ų | 166 | 142.4 Ų | 142.4 | 89% | 0.888 | 89% | 0.886 | S | S | * | * | trans | 73.8 | 109.9 | 173.7 | -80.8 | 15.4 | 0 | 0 | 0 | 118.8 | ||||
| 361 | S | 34.7 | Very low | 31.3 | Very low | 199 Ų | 199 | 143.5 Ų | 143.5 | 100% | 1.392 | 89% | 0.887 | S | S | * | * | -146.4 | 0 | 104.7 | -116.7 | 0 | 0 | 0 | 0 | 110.9 |
Retrieved 361 of 361 residues in 596.3 ms
(Link to these results)