| 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 | 51.7 | Low | 64.2 | Low | 221 Ų | 221 | 132.8 Ų | 132.8 | 100% | 1.089 | 65% | 0.645 | S | S | * | * | 0 | 6.7 | 0 | -85.2 | 168.1 | 168 | 0 | 0 | 114.1 | T5 | M1-T5 PolarHBondContact O-OG1 3.22Š| |||
| 2 | D | 61.5 | Low | 64.2 | Low | 122 Ų | 122 | 125.3 Ų | 125.3 | 65% | 0.652 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -96.5 | -25.1 | -169.1 | -125.6 | -17.3 | 0 | 0 | 0 | 116 | T5 N6 | D2-T5 PolarHBondContact O-OG1 3.29Å; D2-N6 PolarHBondContact O-N 3.35Å; D2-N6 PolarHBondContact O-ND2 3.2Å |
| 3 | R | 59.9 | Low | 64 | Low | 232 Ų | 232 | 117.3 Ų | 117.3 | 88% | 0.875 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -76.4 | -34.7 | -177.4 | -83.3 | -176.3 | -153.2 | 175.7 | 8.2 | 113.6 | L7 | R3-L7 PolarHBondContact O-N 3.26Å; R3-L7 VanDerWaalsContact O-N 3.16Å |
| 4 | T | 66.2 | Low | 64.5 | Low | 108 Ų | 108 | 116.1 Ų | 116.1 | 66% | 0.663 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -73 | -39 | -176.9 | 44 | 0 | 0 | 0 | 0 | 112 | L7 A8 | T4-L7 PolarHBondContact O-N 3.49Å; T4-A8 PolarHBondContact O-N 3.48Å; T4-A8 VanDerWaalsContact O-N 3.1Å |
| 5 | T | 67.6 | Low | 65.2 | Low | 78 Ų | 78 | 113.5 Ų | 113.5 | 48% | 0.479 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.1 | -45.3 | 174.6 | 48.7 | 0 | 0 | 0 | 0 | 111.6 | M1 D2 L7 A8 F9 | M1-T5 PolarHBondContact O-OG1 3.22Å; D2-T5 PolarHBondContact O-OG1 3.29Å; T5-L7 PolarHBondContact O-N 3.03Å; T5-A8 PolarHBondContact O-N 3.25Å; T5-F9 WeakPolarHBondContact O-CB 3.45Å; T5-F9 PolarHBondContact O-N 3.1Å |
| 6 | N | 70 | Confident | 65.7 | Low | 98 Ų | 98 | 109.4 Ų | 109.4 | 52% | 0.524 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.8 | -39.5 | 177.4 | -79.3 | -50 | 0 | 0 | 0 | 113 | D2 Y10 | D2-N6 PolarHBondContact O-N 3.35Å; D2-N6 PolarHBondContact O-ND2 3.2Å; N6-Y10 WeakPolarHBondContact O-CB 3.49Å; N6-Y10 PolarHBondContact O-N 3.19Å |
| 7 | L | 70.5 | Confident | 66.6 | Low | 123 Ų | 123 | 107.7 Ų | 107.7 | 64% | 0.644 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -68.6 | -42.1 | 177.3 | -175.2 | 63.9 | 0 | 0 | 0 | 112.1 | R3 T4 T5 Y10 R11 | R3-L7 PolarHBondContact O-N 3.26Å; R3-L7 VanDerWaalsContact O-N 3.16Å; T4-L7 PolarHBondContact O-N 3.49Å; T5-L7 PolarHBondContact O-N 3.03Å; L7-Y10 PolarHBondContact O-N 2.68Å; L7-R11 WeakPolarHBondContact O-CB 3.47Å; L7-R11 PolarHBondContact O-N 3.09Å |
| 8 | A | 65.6 | Low | 67.5 | Low | 63 Ų | 63 | 105.4 Ų | 105.4 | 52% | 0.521 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.9 | -44.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | T4 T5 R11 S12 | T4-A8 PolarHBondContact O-N 3.48Å; T4-A8 VanDerWaalsContact O-N 3.1Å; T5-A8 PolarHBondContact O-N 3.25Å; A8-R11 PolarHBondContact O-N 3.46Å; A8-S12 PolarHBondContact O-N 3.14Å |
| 9 | F | 66.8 | Low | 68.4 | Low | 99 Ų | 99 | 101.9 Ų | 101.9 | 43% | 0.434 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.3 | -46 | 175.6 | -178.4 | -111.7 | 0 | 0 | 0 | 112.1 | T5 R11 S12 L13 | T5-F9 WeakPolarHBondContact O-CB 3.45Å; T5-F9 PolarHBondContact O-N 3.1Å; F9-R11 VanDerWaalsContact C-N 3.32Å; F9-R11 PolarHBondContact O-N 3.42Å; F9-S12 WeakPolarHBondContact O-CB 3.34Å; F9-S12 PolarHBondContact O-N 3.04Å; F9-L13 HydrophobicContact CD1-CD1 3.67Å; F9-L13 HydrophobicContact CD1-CG 4.47Å; F9-L13 HydrophobicContact CE1-CD1 3.32Å; F9-L13 HydrophobicContact CE1-CG 4.21Å; F9-L13 HydrophobicContact CE2-CD1 4.3Å; F9-L13 HydrophobicContact CE2-CG 4.35Å; F9-L13 HydrophobicContact CG-CD1 4.31Å; F9-L13 HydrophobicContact CZ-CD1 3.67Å; F9-L13 HydrophobicContact CZ-CD2 4.33Å; F9-L13 HydrophobicContact CZ-CG 4.14Å; F9-L13 WeakPolarHBondContact O-CB 3.43Å; F9-L13 WeakPolarHBondContact O-CG 3.3Å; F9-L13 PolarHBondContact O-N 3.22Å |
| 10 | Y | 61.5 | Low | 69.2 | Low | 121 Ų | 121 | 96.9 Ų | 96.9 | 48% | 0.475 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.5 | -40.5 | 176.2 | -173 | -90.4 | 0 | 0 | 0 | 112.2 | N6 L7 L13 Q14 | N6-Y10 WeakPolarHBondContact O-CB 3.49Å; N6-Y10 PolarHBondContact O-N 3.19Å; L7-Y10 PolarHBondContact O-N 2.68Å; Y10-L13 PolarHBondContact O-N 3.26Å; Y10-Q14 WeakPolarHBondContact O-CB 3.5Å; Y10-Q14 PolarHBondContact O-N 3.37Å |
| 11 | R | 64.6 | Low | 70 | Confident | 196 Ų | 196 | 95.5 Ų | 95.5 | 74% | 0.74 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -65.3 | -42.2 | 176.4 | -171.9 | 176.2 | 179.7 | 177.8 | -1.3 | 111.7 | L7 A8 F9 Q14 C15 | L7-R11 WeakPolarHBondContact O-CB 3.47Å; L7-R11 PolarHBondContact O-N 3.09Å; A8-R11 PolarHBondContact O-N 3.46Å; F9-R11 VanDerWaalsContact C-N 3.32Å; F9-R11 PolarHBondContact O-N 3.42Å; R11-Q14 PolarHBondContact O-N 3.12Å; R11-C15 WeakPolarHBondContact O-CB 3.21Å; R11-C15 PolarHBondContact O-N 3.29Å |
| 12 | S | 64.8 | Low | 71.7 | Confident | 42 Ų | 42 | 90.7 Ų | 90.7 | 29% | 0.294 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -59 | -49.8 | 173.4 | 173 | 0 | 0 | 0 | 0 | 111.2 | A8 F9 Q14 C15 R16 | A8-S12 PolarHBondContact O-N 3.14Å; F9-S12 WeakPolarHBondContact O-CB 3.34Å; F9-S12 PolarHBondContact O-N 3.04Å; S12-Q14 PolarHBondContact O-N 3.3Å; S12-C15 WeakPolarHBondContact O-CB 3.33Å; S12-C15 PolarHBondContact O-N 2.68Å; S12-C15 VanDerWaalsContact O-N 3.15Å; S12-R16 PolarHBondContact O-N 3.49Å |
| 13 | L | 61.4 | Low | 73.1 | Confident | 22 Ų | 22 | 87 Ų | 87 | 12% | 0.115 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -59.3 | -43.9 | 177.4 | -75.2 | 170.5 | 0 | 0 | 0 | 112.7 | F9 Y10 C15 R16 R17 | F9-L13 HydrophobicContact CD1-CD1 3.67Å; F9-L13 HydrophobicContact CD1-CG 4.47Å; F9-L13 HydrophobicContact CE1-CD1 3.32Å; F9-L13 HydrophobicContact CE1-CG 4.21Å; F9-L13 HydrophobicContact CE2-CD1 4.3Å; F9-L13 HydrophobicContact CE2-CG 4.35Å; F9-L13 HydrophobicContact CG-CD1 4.31Å; F9-L13 HydrophobicContact CZ-CD1 3.67Å; F9-L13 HydrophobicContact CZ-CD2 4.33Å; F9-L13 HydrophobicContact CZ-CG 4.14Å; F9-L13 WeakPolarHBondContact O-CB 3.43Å; F9-L13 WeakPolarHBondContact O-CG 3.3Å; F9-L13 PolarHBondContact O-N 3.22Å; Y10-L13 PolarHBondContact O-N 3.26Å; L13-C15 VanDerWaalsContact C-N 3.33Å; L13-R16 PolarHBondContact O-N 3.19Å; L13-R17 PolarHBondContact O-N 3.34Å; L13-R17 VanDerWaalsContact O-N 3.14Å |
| 14 | Q | 70.7 | Confident | 74.5 | Confident | 101 Ų | 101 | 76.4 Ų | 76.4 | 47% | 0.472 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -66.5 | -36.7 | 177.8 | -174.4 | 171.3 | -8.7 | 0 | 0 | 111.7 | Y10 R11 S12 L18 | Y10-Q14 WeakPolarHBondContact O-CB 3.5Å; Y10-Q14 PolarHBondContact O-N 3.37Å; R11-Q14 PolarHBondContact O-N 3.12Å; S12-Q14 PolarHBondContact O-N 3.3Å; Q14-L18 VanDerWaalsContact O-CB 3.31Å; Q14-L18 WeakPolarHBondContact O-CB 3.49Å; Q14-L18 PolarHBondContact O-N 3.25Å; Q14-L18 VanDerWaalsContact O-N 3.09Å |
| 15 | C | 74.6 | Confident | 75.4 | Confident | 76 Ų | 76 | 73 Ų | 73 | 51% | 0.514 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.5 | -47.3 | 176 | -160.9 | 0 | 0 | 0 | 0 | 111.3 | R11 S12 L13 L18 T19 | R11-C15 WeakPolarHBondContact O-CB 3.21Å; R11-C15 PolarHBondContact O-N 3.29Å; S12-C15 WeakPolarHBondContact O-CB 3.33Å; S12-C15 PolarHBondContact O-N 2.68Å; S12-C15 VanDerWaalsContact O-N 3.15Å; L13-C15 VanDerWaalsContact C-N 3.33Å; C15-L18 WeakPolarHBondContact O-CB 3.43Å; C15-L18 PolarHBondContact O-N 3.31Å; C15-T19 PolarHBondContact O-N 2.93Å; C15-T19 PolarHBondContact O-OG1 2.83Å; C15-T19 VanDerWaalsContact O-OG1 3.07Å |
| 16 | R | 74.2 | Confident | 76.4 | Confident | 49 Ų | 49 | 72.3 Ų | 72.3 | 19% | 0.185 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.9 | -47.6 | -179.6 | -71.2 | 179.7 | 68.6 | -179.7 | 3.8 | 112.9 | S12 L13 L18 T19 I20 E86 | S12-R16 PolarHBondContact O-N 3.49Å; L13-R16 PolarHBondContact O-N 3.19Å; R16-L18 VanDerWaalsContact C-N 3.29Å; R16-L18 PolarHBondContact O-N 2.81Å; R16-T19 WeakPolarHBondContact O-CB 3.45Å; R16-T19 PolarHBondContact O-N 3.01Å; R16-T19 VanDerWaalsContact O-N 3.11Å; R16-I20 PolarHBondContact O-N 3.5Å; R16-I20 VanDerWaalsContact O-N 3.08Å; R16-E86 IonicContact NH1-OE1 3.57Å |
| 17 | R | 80.1 | Confident | 77.3 | Confident | 80 Ų | 80 | 67.7 Ų | 67.7 | 30% | 0.302 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -57.8 | -42.6 | 174.2 | 180 | 173.3 | 43.9 | -179 | -3.6 | 112 | L13 T19 I20 H21 Y73 | L13-R17 PolarHBondContact O-N 3.34Å; L13-R17 VanDerWaalsContact O-N 3.14Å; R17-T19 VanDerWaalsContact C-N 3.28Å; R17-T19 PolarHBondContact O-N 3.23Å; R17-I20 PolarHBondContact O-N 3.2Å; R17-H21 WeakPolarHBondContact O-CB 3.25Å; R17-H21 PolarHBondContact O-N 3.4Å; R17-Y73 HydrophobicContact CB-CE1 3.85Å; R17-Y73 HydrophobicContact CG-CE1 4.35Å |
| 18 | L | 82.7 | Confident | 78 | Confident | 67 Ų | 67 | 62.5 Ų | 62.5 | 35% | 0.351 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.8 | -35.6 | 177.9 | -178.4 | 61.8 | 0 | 0 | 0 | 111.3 | Q14 C15 R16 K22 | Q14-L18 VanDerWaalsContact O-CB 3.31Å; Q14-L18 WeakPolarHBondContact O-CB 3.49Å; Q14-L18 PolarHBondContact O-N 3.25Å; Q14-L18 VanDerWaalsContact O-N 3.09Å; C15-L18 WeakPolarHBondContact O-CB 3.43Å; C15-L18 PolarHBondContact O-N 3.31Å; R16-L18 VanDerWaalsContact C-N 3.29Å; R16-L18 PolarHBondContact O-N 2.81Å; L18-K22 HydrophobicContact CG-CD 4.46Å; L18-K22 WeakPolarHBondContact O-CB 3.16Å; L18-K22 WeakPolarHBondContact O-CG 3.47Å; L18-K22 PolarHBondContact O-N 3.1Å |
| 19 | T | 84.4 | Confident | 79 | Confident | 39 Ų | 39 | 62.4 Ų | 62.4 | 24% | 0.239 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66 | -46.3 | 175.2 | -54 | 0 | 0 | 0 | 0 | 112.3 | C15 R16 R17 H21 K22 H23 F90 | C15-T19 PolarHBondContact O-N 2.93Å; C15-T19 PolarHBondContact O-OG1 2.83Å; C15-T19 VanDerWaalsContact O-OG1 3.07Å; R16-T19 WeakPolarHBondContact O-CB 3.45Å; R16-T19 PolarHBondContact O-N 3.01Å; R16-T19 VanDerWaalsContact O-N 3.11Å; R17-T19 VanDerWaalsContact C-N 3.28Å; R17-T19 PolarHBondContact O-N 3.23Å; T19-H21 VanDerWaalsContact C-N 3.33Å; T19-H21 PolarHBondContact O-N 3.28Å; T19-K22 WeakPolarHBondContact O-CB 3.33Å; T19-K22 PolarHBondContact O-N 3.36Å; T19-H23 PolarHBondContact O-CD2 2.96Å; T19-H23 PolarHBondContact O-N 2.85Å; T19-H23 VanDerWaalsContact O-N 3.1Å; T19-F90 HydrophobicContact CG2-CE1 4.43Å; T19-F90 HydrophobicContact CG2-CE2 4.21Å; T19-F90 HydrophobicContact CG2-CZ 3.55Å |
| 20 | I | 85.5 | Confident | 80 | Confident | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.6 | -46.1 | 176.5 | -64.5 | 171.3 | 0 | 0 | 0 | 110.4 | R16 R17 K22 H23 L24 W66 E70 Y73 F90 | R16-I20 PolarHBondContact O-N 3.5Å; R16-I20 VanDerWaalsContact O-N 3.08Å; R17-I20 PolarHBondContact O-N 3.2Å; I20-K22 VanDerWaalsContact C-N 3.31Å; I20-K22 PolarHBondContact O-N 3.48Å; I20-H23 PolarHBondContact O-N 3.44Å; I20-H23 VanDerWaalsContact O-N 3.14Å; I20-L24 PolarHBondContact O-N 3.45Å; I20-W66 HydrophobicContact CG2-CE3 4.34Å; I20-W66 HydrophobicContact CG2-CZ3 4.27Å; I20-E70 HydrophobicContact CG2-CB 4.1Å; I20-E70 HydrophobicContact CG2-CG 4.46Å; I20-Y73 HydrophobicContact CD1-CD1 3.82Å; I20-Y73 HydrophobicContact CD1-CD2 3.49Å; I20-Y73 VanDerWaalsContact CD1-CD2 3.49Å; I20-Y73 HydrophobicContact CD1-CE1 4.27Å; I20-Y73 HydrophobicContact CD1-CE2 3.97Å; I20-Y73 HydrophobicContact CD1-CG 3.4Å; I20-Y73 VanDerWaalsContact CD1-CG 3.4Å; I20-F90 HydrophobicContact CG1-CE2 4.2Å |
| 21 | H | 85.5 | Confident | 81.1 | Confident | 68 Ų | 68 | 56 Ų | 56 | 32% | 0.315 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.3 | -39 | 177.7 | -169.5 | 76 | 0 | 0 | 0 | 112.3 | R17 T19 H23 L24 V25 E70 | R17-H21 WeakPolarHBondContact O-CB 3.25Å; R17-H21 PolarHBondContact O-N 3.4Å; T19-H21 VanDerWaalsContact C-N 3.33Å; T19-H21 PolarHBondContact O-N 3.28Å; H21-H23 PolarHBondContact O-N 3.23Å; H21-L24 PolarHBondContact O-N 3.3Å; H21-V25 VanDerWaalsContact O-CG2 3.3Å; H21-V25 WeakPolarHBondContact O-CG2 3.47Å; H21-V25 PolarHBondContact O-N 3.5Å; H21-E70 IonicContact CG-OE1 3.81Å; H21-E70 IonicContact ND1-OE1 3.26Å; H21-E70 PolarHBondContact ND1-OE1 3.46Å |
| 22 | K | 87.6 | Confident | 81.8 | Confident | 119 Ų | 119 | 49.4 Ų | 49.4 | 52% | 0.517 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.9 | -46.3 | 173.1 | -78.6 | 168.4 | 177.3 | 179.1 | 0 | 111.7 | L18 T19 I20 L24 V25 T26 | L18-K22 HydrophobicContact CG-CD 4.46Å; L18-K22 WeakPolarHBondContact O-CB 3.16Å; L18-K22 WeakPolarHBondContact O-CG 3.47Å; L18-K22 PolarHBondContact O-N 3.1Å; T19-K22 WeakPolarHBondContact O-CB 3.33Å; T19-K22 PolarHBondContact O-N 3.36Å; I20-K22 VanDerWaalsContact C-N 3.31Å; I20-K22 PolarHBondContact O-N 3.48Å; K22-L24 PolarHBondContact O-N 3.02Å; K22-V25 PolarHBondContact O-N 3.4Å; K22-T26 WeakPolarHBondContact O-CB 3.35Å; K22-T26 PolarHBondContact O-N 3.33Å; K22-T26 PolarHBondContact O-OG1 3.44Å |
| 23 | H | 91.6 | Very high | 82.7 | Confident | 46 Ų | 46 | 53 Ų | 53 | 21% | 0.213 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.9 | -40.3 | 178.4 | -74.7 | -70.4 | 0 | 0 | 0 | 112.5 | T19 I20 H21 T26 A27 W66 W98 | T19-H23 PolarHBondContact O-CD2 2.96Å; T19-H23 PolarHBondContact O-N 2.85Å; T19-H23 VanDerWaalsContact O-N 3.1Å; I20-H23 PolarHBondContact O-N 3.44Å; I20-H23 VanDerWaalsContact O-N 3.14Å; H21-H23 PolarHBondContact O-N 3.23Å; H23-T26 PolarHBondContact O-N 3.06Å; H23-A27 WeakPolarHBondContact O-CB 3.38Å; H23-A27 PolarHBondContact O-N 3.16Å; H23-W66 HydrophobicContact CB-CD2 3.67Å; H23-W66 HydrophobicContact CB-CE3 3.54Å; H23-W66 HydrophobicContact CB-CH2 3.42Å; H23-W66 VanDerWaalsContact CB-CH2 3.42Å; H23-W66 HydrophobicContact CB-CZ2 3.56Å; H23-W66 HydrophobicContact CB-CZ3 3.4Å; H23-W66 VanDerWaalsContact CB-CZ3 3.4Å; H23-W66 AromaticContact CD2-CH2 3.68Å; H23-W66 AromaticContact CG-CH2 3.51Å; H23-W66 AromaticContact CG-CZ2 3.75Å; H23-W66 AromaticContact CG-CZ3 3.92Å; H23-W98 AromaticContact ND1-NE1 3.4Å; H23-W98 PolarHBondContact ND1-NE1 2.89Å |
| 24 | L | 88.3 | Confident | 83.8 | Confident | 9 Ų | 9 | 53.9 Ų | 53.9 | 5% | 0.047 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60 | -49.4 | 174.2 | 176.8 | 63.8 | 0 | 0 | 0 | 111.9 | I20 H21 K22 T26 A27 F28 W66 M67 E70 | I20-L24 PolarHBondContact O-N 3.45Å; H21-L24 PolarHBondContact O-N 3.3Å; K22-L24 PolarHBondContact O-N 3.02Å; L24-T26 VanDerWaalsContact C-N 3.31Å; L24-T26 PolarHBondContact O-N 2.99Å; L24-A27 PolarHBondContact O-N 2.75Å; L24-F28 HydrophobicContact CD1-CD2 3.88Å; L24-F28 HydrophobicContact CD1-CE2 3.42Å; L24-F28 VanDerWaalsContact CD1-CE2 3.42Å; L24-F28 HydrophobicContact CD1-CZ 4.19Å; L24-F28 HydrophobicContact CD2-CE2 4.23Å; L24-F28 HydrophobicContact CG-CD2 3.93Å; L24-F28 HydrophobicContact CG-CE2 3.72Å; L24-F28 WeakPolarHBondContact O-CD2 3.37Å; L24-F28 PolarHBondContact O-N 3.34Å; L24-W66 HydrophobicContact CB-CB 4.16Å; L24-W66 HydrophobicContact CD1-CB 3.61Å; L24-M67 HydrophobicContact CD1-CB 4.4Å; L24-M67 HydrophobicContact CD1-CG 3.64Å; L24-M67 HydrophobicContact CD2-CG 4.47Å; L24-E70 WeakPolarHBondContact CD2-OE2 3.26Å |
| 25 | V | 86.1 | Confident | 84.1 | Confident | 36 Ų | 36 | 53.6 Ų | 53.6 | 22% | 0.218 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.7 | -44.4 | 177.1 | 171.3 | 0 | 0 | 0 | 0 | 110.4 | H21 K22 A27 F28 I29 | H21-V25 VanDerWaalsContact O-CG2 3.3Å; H21-V25 WeakPolarHBondContact O-CG2 3.47Å; H21-V25 PolarHBondContact O-N 3.5Å; K22-V25 PolarHBondContact O-N 3.4Å; V25-A27 PolarHBondContact O-N 2.8Å; V25-F28 PolarHBondContact O-N 3.23Å; V25-I29 HydrophobicContact CG1-CD1 3.72Å; V25-I29 HydrophobicContact CG1-CG1 4.34Å; V25-I29 VanDerWaalsContact O-CG1 3.27Å; V25-I29 WeakPolarHBondContact O-CG1 3.32Å; V25-I29 PolarHBondContact O-N 2.82Å |
| 26 | T | 88.8 | Confident | 84.2 | Confident | 64 Ų | 64 | 52.6 Ų | 52.6 | 39% | 0.393 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -59.6 | -43.8 | 175.4 | -62 | 0 | 0 | 0 | 0 | 111.9 | K22 H23 L24 F28 I29 I30 W98 | K22-T26 WeakPolarHBondContact O-CB 3.35Å; K22-T26 PolarHBondContact O-N 3.33Å; K22-T26 PolarHBondContact O-OG1 3.44Å; H23-T26 PolarHBondContact O-N 3.06Å; L24-T26 VanDerWaalsContact C-N 3.31Å; L24-T26 PolarHBondContact O-N 2.99Å; T26-F28 VanDerWaalsContact C-N 3.34Å; T26-F28 PolarHBondContact O-N 3.43Å; T26-I29 PolarHBondContact O-N 3.42Å; T26-I30 HydrophobicContact CG2-CD1 3.82Å; T26-I30 HydrophobicContact CG2-CG1 4.37Å; T26-I30 VanDerWaalsContact O-CG1 3.28Å; T26-I30 WeakPolarHBondContact O-CG1 3.39Å; T26-I30 PolarHBondContact O-N 2.93Å; T26-W98 HydrophobicContact CG2-CH2 4.45Å |
| 27 | A | 89.1 | Confident | 84.4 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.008 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.4 | -41.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | H23 L24 V25 R31 W66 W98 | H23-A27 WeakPolarHBondContact O-CB 3.38Å; H23-A27 PolarHBondContact O-N 3.16Å; L24-A27 PolarHBondContact O-N 2.75Å; V25-A27 PolarHBondContact O-N 2.8Å; A27-R31 WeakPolarHBondContact O-CB 3.35Å; A27-R31 PolarHBondContact O-N 3.26Å; A27-W66 HydrophobicContact CB-CG 4.42Å; A27-W98 HydrophobicContact CB-CH2 3.91Å; A27-W98 HydrophobicContact CB-CZ3 4.41Å |
| 28 | F | 84.4 | Confident | 84.2 | Confident | 13 Ų | 13 | 54.1 Ų | 54.1 | 6% | 0.057 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.5 | -41.6 | 174.3 | -79.6 | -58.1 | 0 | 0 | 0 | 113.2 | L24 V25 T26 R31 F32 M67 L238 | L24-F28 HydrophobicContact CD1-CD2 3.88Å; L24-F28 HydrophobicContact CD1-CE2 3.42Å; L24-F28 VanDerWaalsContact CD1-CE2 3.42Å; L24-F28 HydrophobicContact CD1-CZ 4.19Å; L24-F28 HydrophobicContact CD2-CE2 4.23Å; L24-F28 HydrophobicContact CG-CD2 3.93Å; L24-F28 HydrophobicContact CG-CE2 3.72Å; L24-F28 WeakPolarHBondContact O-CD2 3.37Å; L24-F28 PolarHBondContact O-N 3.34Å; V25-F28 PolarHBondContact O-N 3.23Å; T26-F28 VanDerWaalsContact C-N 3.34Å; T26-F28 PolarHBondContact O-N 3.43Å; F28-R31 PolarHBondContact O-N 2.9Å; F28-F32 WeakPolarHBondContact O-CB 3.18Å; F28-F32 PolarHBondContact O-N 3.32Å; F28-M67 HydrophobicContact CE2-CG 4.28Å; F28-M67 HydrophobicContact CZ-CE 4.23Å; F28-M67 HydrophobicContact CZ-CG 3.98Å; F28-M67 HydrophobicContact CZ-SD 3.72Å; F28-L238 HydrophobicContact CB-CD2 4.2Å |
| 29 | I | 85.5 | Confident | 83.8 | Confident | 61 Ų | 61 | 56 Ų | 56 | 31% | 0.313 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.9 | -47.5 | 176.8 | -70.8 | 169.7 | 0 | 0 | 0 | 110.3 | V25 T26 R31 F32 F33 F242 | V25-I29 HydrophobicContact CG1-CD1 3.72Å; V25-I29 HydrophobicContact CG1-CG1 4.34Å; V25-I29 VanDerWaalsContact O-CG1 3.27Å; V25-I29 WeakPolarHBondContact O-CG1 3.32Å; V25-I29 PolarHBondContact O-N 2.82Å; T26-I29 PolarHBondContact O-N 3.42Å; I29-R31 PolarHBondContact O-N 2.91Å; I29-F32 WeakPolarHBondContact O-CB 3.15Å; I29-F32 PolarHBondContact O-N 2.93Å; I29-F33 HydrophobicContact CG2-CD2 3.58Å; I29-F33 HydrophobicContact CG2-CE2 3.43Å; I29-F33 VanDerWaalsContact CG2-CE2 3.43Å; I29-F33 WeakPolarHBondContact O-CD2 3.48Å; I29-F33 PolarHBondContact O-N 3.48Å; I29-F242 HydrophobicContact CD1-CZ 4.34Å |
| 30 | I | 87.9 | Confident | 83.4 | Confident | 62 Ų | 62 | 58.9 Ų | 58.9 | 32% | 0.318 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -57.5 | -50.9 | 176.6 | -69.5 | 168 | 0 | 0 | 0 | 109.7 | T26 F32 F33 I34 W98 | T26-I30 HydrophobicContact CG2-CD1 3.82Å; T26-I30 HydrophobicContact CG2-CG1 4.37Å; T26-I30 VanDerWaalsContact O-CG1 3.28Å; T26-I30 WeakPolarHBondContact O-CG1 3.39Å; T26-I30 PolarHBondContact O-N 2.93Å; I30-F32 VanDerWaalsContact C-N 3.27Å; I30-F32 PolarHBondContact O-N 3.4Å; I30-F33 PolarHBondContact O-N 2.93Å; I30-I34 HydrophobicContact CG2-CG1 4.17Å; I30-I34 WeakPolarHBondContact O-CB 3.4Å; I30-I34 VanDerWaalsContact O-CG1 3.24Å; I30-I34 WeakPolarHBondContact O-CG1 3.47Å; I30-I34 PolarHBondContact O-N 3.43Å; I30-W98 HydrophobicContact CD1-CH2 3.94Å; I30-W98 HydrophobicContact CD1-CZ3 4.29Å |
| 31 | R | 84.4 | Confident | 82.9 | Confident | 24 Ų | 24 | 61.3 Ų | 61.3 | 9% | 0.091 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -56.5 | -43 | 179.4 | -171.5 | 176.5 | 70.3 | 94.6 | -5.8 | 112.3 | A27 F28 I29 F35 I234 | A27-R31 WeakPolarHBondContact O-CB 3.35Å; A27-R31 PolarHBondContact O-N 3.26Å; F28-R31 PolarHBondContact O-N 2.9Å; I29-R31 PolarHBondContact O-N 2.91Å; R31-F35 VanDerWaalsContact O-CB 3.29Å; R31-F35 WeakPolarHBondContact O-CB 3.46Å; R31-F35 PolarHBondContact O-N 2.99Å; R31-I234 VanDerWaalsContact NH2-CG1 3.32Å |
| 32 | F | 80.1 | Confident | 81.8 | Confident | 57 Ų | 57 | 67 Ų | 67 | 25% | 0.25 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.5 | -51.1 | 177.7 | 179.9 | -95.8 | 0 | 0 | 0 | 112.4 | F28 I29 I30 I34 F35 I36 F235 L238 | F28-F32 WeakPolarHBondContact O-CB 3.18Å; F28-F32 PolarHBondContact O-N 3.32Å; I29-F32 WeakPolarHBondContact O-CB 3.15Å; I29-F32 PolarHBondContact O-N 2.93Å; I30-F32 VanDerWaalsContact C-N 3.27Å; I30-F32 PolarHBondContact O-N 3.4Å; F32-I34 PolarHBondContact O-N 3.44Å; F32-F35 PolarHBondContact O-N 2.94Å; F32-I36 HydrophobicContact CD1-CD1 3.69Å; F32-I36 HydrophobicContact CE1-CD1 3.16Å; F32-I36 HydrophobicContact CE1-CG1 4.35Å; F32-I36 HydrophobicContact CE2-CD1 4.3Å; F32-I36 HydrophobicContact CG-CD1 4.42Å; F32-I36 HydrophobicContact CZ-CD1 3.53Å; F32-I36 WeakPolarHBondContact O-CG1 3.49Å; F32-I36 PolarHBondContact O-N 2.97Å; F32-F235 HydrophobicContact CD2-CE1 4.23Å; F32-F235 HydrophobicContact CD2-CZ 4.08Å; F32-F235 AromaticContact CE2-CD1 3.7Å; F32-F235 HydrophobicContact CE2-CD1 3.7Å; F32-F235 AromaticContact CE2-CE1 3.12Å; F32-F235 HydrophobicContact CE2-CE1 3.12Å; F32-F235 HydrophobicContact CE2-CE2 4.1Å; F32-F235 HydrophobicContact CE2-CG 4.42Å; F32-F235 AromaticContact CE2-CZ 3.32Å; F32-F235 HydrophobicContact CE2-CZ 3.32Å; F32-F235 HydrophobicContact CZ-CD1 4.32Å; F32-F235 AromaticContact CZ-CE1 3.58Å; F32-F235 HydrophobicContact CZ-CE1 3.58Å; F32-F235 HydrophobicContact CZ-CZ 4.03Å; F32-L238 HydrophobicContact CD2-CD1 4.34Å |
| 33 | F | 84.4 | Confident | 80.7 | Confident | 118 Ų | 118 | 68.6 Ų | 68.6 | 52% | 0.518 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 179.2 | -80 | -65.9 | 0 | 0 | 0 | 112.1 | I29 I30 F35 I36 M37 | I29-F33 HydrophobicContact CG2-CD2 3.58Å; I29-F33 HydrophobicContact CG2-CE2 3.43Å; I29-F33 VanDerWaalsContact CG2-CE2 3.43Å; I29-F33 WeakPolarHBondContact O-CD2 3.48Å; I29-F33 PolarHBondContact O-N 3.48Å; I30-F33 PolarHBondContact O-N 2.93Å; F33-F35 VanDerWaalsContact C-N 3.34Å; F33-F35 PolarHBondContact O-N 3.1Å; F33-I36 PolarHBondContact O-N 3.04Å; F33-M37 WeakPolarHBondContact O-CB 3.48Å; F33-M37 VanDerWaalsContact O-CG 3.27Å; F33-M37 WeakPolarHBondContact O-CG 3.28Å; F33-M37 PolarHBondContact O-N 2.91Å |
| 34 | I | 83.9 | Confident | 79.5 | Confident | 40 Ų | 40 | 73.6 Ų | 73.6 | 21% | 0.205 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.1 | -39.4 | 178.6 | -63.8 | -61.8 | 0 | 0 | 0 | 111.2 | I30 F32 M37 W38 V55 I56 | I30-I34 HydrophobicContact CG2-CG1 4.17Å; I30-I34 WeakPolarHBondContact O-CB 3.4Å; I30-I34 VanDerWaalsContact O-CG1 3.24Å; I30-I34 WeakPolarHBondContact O-CG1 3.47Å; I30-I34 PolarHBondContact O-N 3.43Å; F32-I34 PolarHBondContact O-N 3.44Å; I34-M37 PolarHBondContact O-N 3.16Å; I34-W38 PolarHBondContact O-N 3.31Å; I34-V55 HydrophobicContact CB-CG1 4.41Å; I34-V55 HydrophobicContact CD1-CG1 3.63Å; I34-V55 HydrophobicContact CG1-CG1 3.72Å; I34-V55 HydrophobicContact CG2-CB 4.26Å; I34-V55 HydrophobicContact CG2-CG1 3.84Å; I34-I56 HydrophobicContact CG2-CB 4.4Å; I34-I56 HydrophobicContact CG2-CG1 3.54Å |
| 35 | F | 77 | Confident | 79.3 | Confident | 96 Ų | 96 | 77.9 Ų | 77.9 | 42% | 0.421 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.5 | -40.5 | 175.9 | -170.4 | -104.9 | 0 | 0 | 0 | 112.2 | R31 F32 F33 M37 W38 I39 | R31-F35 VanDerWaalsContact O-CB 3.29Å; R31-F35 WeakPolarHBondContact O-CB 3.46Å; R31-F35 PolarHBondContact O-N 2.99Å; F32-F35 PolarHBondContact O-N 2.94Å; F33-F35 VanDerWaalsContact C-N 3.34Å; F33-F35 PolarHBondContact O-N 3.1Å; F35-M37 VanDerWaalsContact C-N 3.35Å; F35-W38 WeakPolarHBondContact O-CB 3.25Å; F35-W38 PolarHBondContact O-N 3.45Å; F35-I39 HydrophobicContact CD1-CD1 3.77Å; F35-I39 HydrophobicContact CE1-CD1 3.43Å; F35-I39 VanDerWaalsContact CE1-CD1 3.43Å; F35-I39 HydrophobicContact CE1-CG1 4.41Å; F35-I39 HydrophobicContact CZ-CD1 4.02Å; F35-I39 WeakPolarHBondContact O-CG1 3.49Å; F35-I39 PolarHBondContact O-N 3.18Å; F35-I39 VanDerWaalsContact O-N 3.13Å |
| 36 | I | 76.7 | Confident | 79.2 | Confident | 55 Ų | 55 | 79.1 Ų | 79.1 | 28% | 0.282 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 172 | -70.4 | 175.6 | 0 | 0 | 0 | 110.5 | F32 F33 W38 I39 V40 | F32-I36 HydrophobicContact CD1-CD1 3.69Å; F32-I36 HydrophobicContact CE1-CD1 3.16Å; F32-I36 HydrophobicContact CE1-CG1 4.35Å; F32-I36 HydrophobicContact CE2-CD1 4.3Å; F32-I36 HydrophobicContact CG-CD1 4.42Å; F32-I36 HydrophobicContact CZ-CD1 3.53Å; F32-I36 WeakPolarHBondContact O-CG1 3.49Å; F32-I36 PolarHBondContact O-N 2.97Å; F33-I36 PolarHBondContact O-N 3.04Å; I36-W38 VanDerWaalsContact C-N 3.3Å; I36-W38 PolarHBondContact O-N 2.86Å; I36-I39 PolarHBondContact O-N 3.28Å; I36-V40 HydrophobicContact CG2-CG2 4.14Å; I36-V40 WeakPolarHBondContact O-CG2 3.36Å; I36-V40 PolarHBondContact O-N 2.93Å |
| 37 | M | 77.4 | Confident | 79.1 | Confident | 82 Ų | 82 | 83.7 Ų | 83.7 | 40% | 0.404 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.4 | -40.6 | 177.4 | -72.4 | -63.9 | 98.8 | 0 | 0 | 111.7 | F33 I34 F35 V40 L41 | F33-M37 WeakPolarHBondContact O-CB 3.48Å; F33-M37 VanDerWaalsContact O-CG 3.27Å; F33-M37 WeakPolarHBondContact O-CG 3.28Å; F33-M37 PolarHBondContact O-N 2.91Å; I34-M37 PolarHBondContact O-N 3.16Å; F35-M37 VanDerWaalsContact C-N 3.35Å; M37-V40 PolarHBondContact O-N 3.43Å; M37-L41 HydrophobicContact CB-CD1 4.09Å; M37-L41 WeakPolarHBondContact O-CA 3.31Å; M37-L41 WeakPolarHBondContact O-CB 3.39Å; M37-L41 WeakPolarHBondContact O-CG 3.49Å; M37-L41 PolarHBondContact O-N 2.9Å; M37-L41 HydrophobicContact SD-CD1 4.22Å |
| 38 | W | 77.7 | Confident | 79 | Confident | 78 Ų | 78 | 85.6 Ų | 85.6 | 30% | 0.295 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61 | -43 | 174.6 | 176.4 | -96.7 | 0 | 0 | 0 | 113.3 | I34 F35 I36 I52 L53 I56 | I34-W38 PolarHBondContact O-N 3.31Å; F35-W38 WeakPolarHBondContact O-CB 3.25Å; F35-W38 PolarHBondContact O-N 3.45Å; I36-W38 VanDerWaalsContact C-N 3.3Å; I36-W38 PolarHBondContact O-N 2.86Å; W38-I52 HydrophobicContact CB-CG2 4.1Å; W38-I52 HydrophobicContact CD2-CG2 4.43Å; W38-I52 HydrophobicContact CE3-CB 3.98Å; W38-I52 HydrophobicContact CE3-CG2 3.58Å; W38-I52 HydrophobicContact CZ3-CB 4.36Å; W38-I52 HydrophobicContact CZ3-CG2 4.41Å; W38-L53 HydrophobicContact CH2-CB 4.3Å; W38-L53 HydrophobicContact CH2-CD1 4.37Å; W38-L53 HydrophobicContact CZ3-CB 4.02Å; W38-I56 HydrophobicContact CB-CD1 3.56Å; W38-I56 HydrophobicContact CB-CG1 4.49Å; W38-I56 HydrophobicContact CD2-CD1 3.45Å; W38-I56 VanDerWaalsContact CD2-CD1 3.45Å; W38-I56 HydrophobicContact CE3-CD1 3.61Å; W38-I56 HydrophobicContact CG-CD1 3.45Å; W38-I56 VanDerWaalsContact CG-CD1 3.45Å; W38-I56 HydrophobicContact CZ3-CD1 4.41Å |
| 39 | I | 73.5 | Confident | 79.2 | Confident | 106 Ų | 106 | 86.2 Ų | 86.2 | 54% | 0.544 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -67.4 | -41.7 | 178.8 | -67.3 | 168.6 | 0 | 0 | 0 | 111.2 | F35 I36 | F35-I39 HydrophobicContact CD1-CD1 3.77Å; F35-I39 HydrophobicContact CE1-CD1 3.43Å; F35-I39 VanDerWaalsContact CE1-CD1 3.43Å; F35-I39 HydrophobicContact CE1-CG1 4.41Å; F35-I39 HydrophobicContact CZ-CD1 4.02Å; F35-I39 WeakPolarHBondContact O-CG1 3.49Å; F35-I39 PolarHBondContact O-N 3.18Å; F35-I39 VanDerWaalsContact O-N 3.13Å; I36-I39 PolarHBondContact O-N 3.28Å |
| 40 | V | 76.3 | Confident | 79.4 | Confident | 100 Ų | 100 | 85.3 Ų | 85.3 | 61% | 0.606 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -78.7 | -37.7 | -176.2 | 174.8 | 0 | 0 | 0 | 0 | 111.7 | I36 M37 Q42 | I36-V40 HydrophobicContact CG2-CG2 4.14Å; I36-V40 WeakPolarHBondContact O-CG2 3.36Å; I36-V40 PolarHBondContact O-N 2.93Å; M37-V40 PolarHBondContact O-N 3.43Å; V40-Q42 VanDerWaalsContact C-N 3.34Å; V40-Q42 PolarHBondContact O-N 3.48Å; V40-Q42 VanDerWaalsContact O-N 3.12Å |
| 41 | L | 74.1 | Confident | 79.6 | Confident | 52 Ų | 52 | 86.9 Ų | 86.9 | 27% | 0.272 | 41% | 0.41 | S | S | . | . | trans | -87.7 | 74.8 | -178.7 | -61.5 | 170 | 0 | 0 | 0 | 109.9 | M37 R43 I52 | M37-L41 HydrophobicContact CB-CD1 4.09Å; M37-L41 WeakPolarHBondContact O-CA 3.31Å; M37-L41 WeakPolarHBondContact O-CB 3.39Å; M37-L41 WeakPolarHBondContact O-CG 3.49Å; M37-L41 PolarHBondContact O-N 2.9Å; M37-L41 HydrophobicContact SD-CD1 4.22Å; L41-R43 VanDerWaalsContact C-N 3.34Å; L41-R43 HydrophobicContact CB-CG 3.92Å; L41-R43 HydrophobicContact CD2-CG 4.41Å; L41-R43 PolarHBondContact O-N 2.89Å; L41-I52 HydrophobicContact CB-CD1 4.39Å; L41-I52 HydrophobicContact CD1-CD1 4.06Å | ||
| 42 | Q | 62.3 | Low | 79.7 | Confident | 188 Ų | 188 | 86.9 Ų | 86.9 | 88% | 0.879 | 41% | 0.412 | S | S | * | . | trans | -76.7 | 89.9 | 163.8 | -163.7 | 157.3 | -12.8 | 0 | 0 | 108 | V40 | V40-Q42 VanDerWaalsContact C-N 3.34Å; V40-Q42 PolarHBondContact O-N 3.48Å; V40-Q42 VanDerWaalsContact O-N 3.12Å | ||
| 43 | R | 65.3 | Low | 80.1 | Confident | 152 Ų | 152 | 84.3 Ų | 84.3 | 57% | 0.574 | 40% | 0.401 | S | S | * | . | trans | -116.6 | 129.6 | -170.9 | -67.8 | -82.7 | -166.6 | -154.7 | -1.7 | 110.8 | L41 Q45 | L41-R43 VanDerWaalsContact C-N 3.34Å; L41-R43 HydrophobicContact CB-CG 3.92Å; L41-R43 HydrophobicContact CD2-CG 4.41Å; L41-R43 PolarHBondContact O-N 2.89Å; R43-Q45 PolarHBondContact O-N 2.87Å | ||
| 44 | D | 66.9 | Low | 80.4 | Confident | 152 Ų | 152 | 79.5 Ų | 79.5 | 81% | 0.813 | 38% | 0.383 | S | S | * | . | trans | -71.9 | -6.7 | 176.5 | -71.7 | -41.8 | 0 | 0 | 0 | 114.5 | D46 | D44-D46 PolarHBondContact O-N 2.9Š| ||
| 45 | Q | 82.6 | Confident | 80.8 | Confident | 98 Ų | 98 | 79.9 Ų | 79.9 | 46% | 0.458 | 39% | 0.387 | S | S | . | . | trans | -80.5 | 112.9 | -178.8 | -68.6 | -168.4 | -6.3 | 0 | 0 | 111.4 | R43 W47 L48 C49 | R43-Q45 PolarHBondContact O-N 2.87Å; Q45-W47 VanDerWaalsContact C-N 3.34Å; Q45-W47 PolarHBondContact O-N 3.06Å; Q45-W47 VanDerWaalsContact OE1-NE1 3.09Å; Q45-L48 HydrophobicContact CB-CB 4.17Å; Q45-L48 HydrophobicContact CB-CD1 4.08Å; Q45-L48 HydrophobicContact CB-CG 4.31Å; Q45-L48 PolarHBondContact O-N 3.45Å; Q45-C49 PolarHBondContact O-N 3.24Å | ||
| 46 | D | 85.1 | Confident | 81.3 | Confident | 62 Ų | 62 | 76.3 Ų | 76.3 | 33% | 0.332 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -53.5 | -45.2 | -177.6 | -76.6 | 16 | 0 | 0 | 0 | 113.7 | D44 C49 K50 R120 | D44-D46 PolarHBondContact O-N 2.9Å; D46-C49 PolarHBondContact O-N 3.07Å; D46-K50 WeakPolarHBondContact O-CG 3.04Å; D46-K50 PolarHBondContact O-N 3.07Å; D46-R120 WeakPolarHBondContact OD1-CD 3.37Å; D46-R120 WeakPolarHBondContact OD1-CG 3.32Å; D46-R120 IonicContact OD1-CZ 3.9Å; D46-R120 IonicContact OD1-NE 3.82Å; D46-R120 PolarHBondContact OD1-NE 3.09Å; D46-R120 IonicContact OD2-NE 3Å |
| 47 | W | 86.6 | Confident | 81.9 | Confident | 161 Ų | 161 | 74.1 Ų | 74.1 | 61% | 0.61 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -68 | -38.3 | -177.4 | 70 | -88.5 | 0 | 0 | 0 | 112.6 | Q45 L51 | Q45-W47 VanDerWaalsContact C-N 3.34Å; Q45-W47 PolarHBondContact O-N 3.06Å; Q45-W47 VanDerWaalsContact OE1-NE1 3.09Å; W47-L51 WeakPolarHBondContact O-CB 3.38Å; W47-L51 PolarHBondContact O-N 3.15Å |
| 48 | L | 87.6 | Confident | 82.7 | Confident | 41 Ų | 41 | 72.7 Ų | 72.7 | 22% | 0.215 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66.4 | -42.4 | 175 | -79.8 | 176.6 | 0 | 0 | 0 | 110.8 | Q45 L51 I52 | Q45-L48 HydrophobicContact CB-CB 4.17Å; Q45-L48 HydrophobicContact CB-CD1 4.08Å; Q45-L48 HydrophobicContact CB-CG 4.31Å; Q45-L48 PolarHBondContact O-N 3.45Å; L48-L51 PolarHBondContact O-N 2.82Å; L48-I52 VanDerWaalsContact O-CG1 3.25Å; L48-I52 WeakPolarHBondContact O-CG1 3.22Å; L48-I52 PolarHBondContact O-N 2.99Å |
| 49 | C | 88.2 | Confident | 83.3 | Confident | 26 Ų | 26 | 69.1 Ų | 69.1 | 18% | 0.176 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.6 | -46.5 | 178.3 | -168.3 | 0 | 0 | 0 | 0 | 111.2 | Q45 D46 L51 I52 L53 C121 | Q45-C49 PolarHBondContact O-N 3.24Å; D46-C49 PolarHBondContact O-N 3.07Å; C49-L51 PolarHBondContact O-N 2.95Å; C49-I52 PolarHBondContact O-N 3.42Å; C49-L53 WeakPolarHBondContact O-CB 3.48Å; C49-L53 PolarHBondContact O-N 2.92Å; C49-C121 HydrophobicContact CB-CB 3.67Å; C49-C121 WeakPolarHBondContact CB-SG 3.4Å; C49-C121 PolarHBondContact O-SG 3.43Å; C49-C121 WeakPolarHBondContact SG-CB 3.25Å; C49-C121 CovalentContact SG-SG 2.02Å; C49-C121 PolarHBondContact SG-SG 3.31Å |
| 50 | K | 89.8 | Confident | 83.9 | Confident | 42 Ų | 42 | 64.6 Ų | 64.6 | 18% | 0.183 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.8 | -45.9 | 173.8 | -72.6 | -179.3 | 177.1 | -171.4 | 0 | 112.1 | D46 L53 A54 E113 W122 | D46-K50 WeakPolarHBondContact O-CG 3.04Å; D46-K50 PolarHBondContact O-N 3.07Å; K50-L53 PolarHBondContact O-N 3.33Å; K50-A54 WeakPolarHBondContact O-CB 3.16Å; K50-A54 PolarHBondContact O-N 3.13Å; K50-E113 WeakPolarHBondContact CE-OE1 3.21Å; K50-E113 IonicContact NZ-OE1 2.72Å; K50-E113 PolarHBondContact NZ-OE1 3.38Å; K50-E113 IonicContact NZ-OE2 3.52Å; K50-W122 HydrophobicContact CB-CD2 4.48Å; K50-W122 HydrophobicContact CB-CE3 4.35Å; K50-W122 HydrophobicContact CB-CH2 3.9Å; K50-W122 HydrophobicContact CB-CZ2 4.06Å; K50-W122 HydrophobicContact CB-CZ3 4.06Å; K50-W122 HydrophobicContact CD-CD2 4.44Å; K50-W122 HydrophobicContact CD-CZ2 3.88Å; K50-W122 HydrophobicContact CG-CD2 4.03Å; K50-W122 HydrophobicContact CG-CE3 4.35Å; K50-W122 HydrophobicContact CG-CH2 4.35Å; K50-W122 HydrophobicContact CG-CZ2 4.06Å; K50-W122 HydrophobicContact CG-CZ3 4.49Å; K50-W122 WeakPolarHBondContact O-CZ3 3.44Å |
| 51 | L | 90.9 | Very high | 84.6 | Confident | 94 Ų | 94 | 60 Ų | 60 | 49% | 0.492 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62 | -50.3 | 179.3 | 179.4 | 64.8 | 0 | 0 | 0 | 111.6 | W47 L48 C49 L53 A54 V55 | W47-L51 WeakPolarHBondContact O-CB 3.38Å; W47-L51 PolarHBondContact O-N 3.15Å; L48-L51 PolarHBondContact O-N 2.82Å; C49-L51 PolarHBondContact O-N 2.95Å; L51-L53 VanDerWaalsContact C-N 3.31Å; L51-L53 PolarHBondContact O-N 3.35Å; L51-A54 PolarHBondContact O-N 3.09Å; L51-V55 HydrophobicContact CD1-CG2 4.38Å; L51-V55 VanDerWaalsContact O-CG2 3.26Å; L51-V55 WeakPolarHBondContact O-CG2 3.44Å; L51-V55 PolarHBondContact O-N 3.4Å |
| 52 | I | 87.8 | Confident | 85.5 | Confident | 24 Ų | 24 | 57.6 Ų | 57.6 | 12% | 0.123 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.7 | -42.3 | -179.4 | -59.8 | 165.1 | 0 | 0 | 0 | 109.8 | W38 L41 L48 C49 A54 V55 I56 | W38-I52 HydrophobicContact CB-CG2 4.1Å; W38-I52 HydrophobicContact CD2-CG2 4.43Å; W38-I52 HydrophobicContact CE3-CB 3.98Å; W38-I52 HydrophobicContact CE3-CG2 3.58Å; W38-I52 HydrophobicContact CZ3-CB 4.36Å; W38-I52 HydrophobicContact CZ3-CG2 4.41Å; L41-I52 HydrophobicContact CB-CD1 4.39Å; L41-I52 HydrophobicContact CD1-CD1 4.06Å; L48-I52 VanDerWaalsContact O-CG1 3.25Å; L48-I52 WeakPolarHBondContact O-CG1 3.22Å; L48-I52 PolarHBondContact O-N 2.99Å; C49-I52 PolarHBondContact O-N 3.42Å; I52-A54 PolarHBondContact O-N 3.14Å; I52-V55 PolarHBondContact O-N 3.47Å; I52-V55 VanDerWaalsContact O-N 3.17Å; I52-I56 HydrophobicContact CG2-CD1 4.17Å; I52-I56 HydrophobicContact CG2-CG1 4.39Å; I52-I56 WeakPolarHBondContact O-CG1 3.35Å; I52-I56 PolarHBondContact O-N 2.98Å |
| 53 | L | 88 | Confident | 86.8 | Confident | 4 Ų | 4 | 48.6 Ų | 48.6 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.5 | -45.8 | 176.2 | -177.1 | 59.5 | 0 | 0 | 0 | 112 | W38 C49 K50 L51 V55 I56 M57 W108 C121 W122 L123 Y125 | W38-L53 HydrophobicContact CH2-CB 4.3Å; W38-L53 HydrophobicContact CH2-CD1 4.37Å; W38-L53 HydrophobicContact CZ3-CB 4.02Å; C49-L53 WeakPolarHBondContact O-CB 3.48Å; C49-L53 PolarHBondContact O-N 2.92Å; K50-L53 PolarHBondContact O-N 3.33Å; L51-L53 VanDerWaalsContact C-N 3.31Å; L51-L53 PolarHBondContact O-N 3.35Å; L53-V55 VanDerWaalsContact C-N 3.3Å; L53-V55 PolarHBondContact O-N 2.87Å; L53-I56 PolarHBondContact O-N 2.94Å; L53-M57 HydrophobicContact CD1-CE 3.93Å; L53-M57 WeakPolarHBondContact O-CG 3.31Å; L53-M57 PolarHBondContact O-N 2.87Å; L53-W108 HydrophobicContact CD2-CH2 4.27Å; L53-W108 HydrophobicContact CG-CH2 4.35Å; L53-C121 VanDerWaalsContact CD2-O 3.26Å; L53-C121 WeakPolarHBondContact CD2-O 3.49Å; L53-W122 HydrophobicContact CD2-CB 4.39Å; L53-W122 HydrophobicContact CD2-CE3 4.09Å; L53-L123 HydrophobicContact CD2-CD1 4.01Å; L53-Y125 HydrophobicContact CD1-CE1 4.3Å; L53-Y125 HydrophobicContact CD2-CD1 4.21Å |
| 54 | A | 91.6 | Very high | 87.8 | Confident | 16 Ų | 16 | 41.5 Ų | 41.5 | 13% | 0.132 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.2 | -41.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | K50 L51 I52 M57 Y58 V105 V109 W122 | K50-A54 WeakPolarHBondContact O-CB 3.16Å; K50-A54 PolarHBondContact O-N 3.13Å; L51-A54 PolarHBondContact O-N 3.09Å; I52-A54 PolarHBondContact O-N 3.14Å; A54-M57 PolarHBondContact O-N 3.3Å; A54-Y58 WeakPolarHBondContact O-CB 3.41Å; A54-Y58 PolarHBondContact O-N 3.47Å; A54-V105 HydrophobicContact CB-CG1 4.43Å; A54-V109 HydrophobicContact CB-CG2 4.06Å; A54-W122 HydrophobicContact CB-CZ3 4.17Å |
| 55 | V | 92.3 | Very high | 89 | Confident | 48 Ų | 48 | 35 Ų | 35 | 29% | 0.291 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -69.8 | -34.3 | 178.5 | -179 | 0 | 0 | 0 | 0 | 111.8 | I34 L51 I52 L53 S59 | I34-V55 HydrophobicContact CB-CG1 4.41Å; I34-V55 HydrophobicContact CD1-CG1 3.63Å; I34-V55 HydrophobicContact CG1-CG1 3.72Å; I34-V55 HydrophobicContact CG2-CB 4.26Å; I34-V55 HydrophobicContact CG2-CG1 3.84Å; L51-V55 HydrophobicContact CD1-CG2 4.38Å; L51-V55 VanDerWaalsContact O-CG2 3.26Å; L51-V55 WeakPolarHBondContact O-CG2 3.44Å; L51-V55 PolarHBondContact O-N 3.4Å; I52-V55 PolarHBondContact O-N 3.47Å; I52-V55 VanDerWaalsContact O-N 3.17Å; L53-V55 VanDerWaalsContact C-N 3.3Å; L53-V55 PolarHBondContact O-N 2.87Å; V55-S59 VanDerWaalsContact O-CB 3.3Å; V55-S59 WeakPolarHBondContact O-CB 3.36Å; V55-S59 PolarHBondContact O-N 3.49Å; V55-S59 PolarHBondContact O-OG 3.07Å |
| 56 | I | 86.9 | Confident | 89.4 | Confident | 22 Ų | 22 | 30.4 Ų | 30.4 | 11% | 0.113 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.5 | -48.5 | 171.6 | -68.7 | 167.3 | 0 | 0 | 0 | 110.3 | I34 W38 I52 L53 Y58 S59 T60 | I34-I56 HydrophobicContact CG2-CB 4.4Å; I34-I56 HydrophobicContact CG2-CG1 3.54Å; W38-I56 HydrophobicContact CB-CD1 3.56Å; W38-I56 HydrophobicContact CB-CG1 4.49Å; W38-I56 HydrophobicContact CD2-CD1 3.45Å; W38-I56 VanDerWaalsContact CD2-CD1 3.45Å; W38-I56 HydrophobicContact CE3-CD1 3.61Å; W38-I56 HydrophobicContact CG-CD1 3.45Å; W38-I56 VanDerWaalsContact CG-CD1 3.45Å; W38-I56 HydrophobicContact CZ3-CD1 4.41Å; I52-I56 HydrophobicContact CG2-CD1 4.17Å; I52-I56 HydrophobicContact CG2-CG1 4.39Å; I52-I56 WeakPolarHBondContact O-CG1 3.35Å; I52-I56 PolarHBondContact O-N 2.98Å; L53-I56 PolarHBondContact O-N 2.94Å; I56-Y58 VanDerWaalsContact C-N 3.34Å; I56-Y58 PolarHBondContact O-N 2.83Å; I56-S59 PolarHBondContact O-N 2.6Å; I56-S59 PolarHBondContact O-OG 2.87Å; I56-T60 VanDerWaalsContact O-CB 3.31Å; I56-T60 WeakPolarHBondContact O-CB 3.48Å; I56-T60 PolarHBondContact O-N 3.47Å; I56-T60 PolarHBondContact O-OG1 3.17Å |
| 57 | M | 89.8 | Confident | 89.5 | Confident | 8 Ų | 8 | 27.9 Ų | 27.9 | 4% | 0.039 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.8 | -43.6 | 179.4 | -66.1 | -51.7 | -176.7 | 0 | 0 | 111 | L53 A54 T60 L61 V105 W108 Y125 L134 F193 | L53-M57 HydrophobicContact CD1-CE 3.93Å; L53-M57 WeakPolarHBondContact O-CG 3.31Å; L53-M57 PolarHBondContact O-N 2.87Å; A54-M57 PolarHBondContact O-N 3.3Å; M57-T60 PolarHBondContact O-N 3.19Å; M57-L61 WeakPolarHBondContact O-CB 3.19Å; M57-L61 PolarHBondContact O-N 2.86Å; M57-V105 HydrophobicContact CB-CG2 4.27Å; M57-W108 HydrophobicContact CG-CH2 4.18Å; M57-W108 HydrophobicContact CG-CZ3 4.15Å; M57-Y125 HydrophobicContact CE-CD2 4.02Å; M57-Y125 HydrophobicContact CE-CE1 4.46Å; M57-Y125 HydrophobicContact CE-CE2 3.7Å; M57-L134 HydrophobicContact CB-CD1 4.13Å; M57-L134 HydrophobicContact CG-CD1 4.14Å; M57-L134 HydrophobicContact SD-CD1 4.49Å; M57-F193 HydrophobicContact CE-CE1 4.15Å; M57-F193 HydrophobicContact SD-CE1 3.87Å; M57-F193 HydrophobicContact SD-CZ 4.2Å |
| 58 | Y | 93.5 | Very high | 89.6 | Confident | 53 Ų | 53 | 22.4 Ų | 22.4 | 21% | 0.208 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60 | -52.3 | 175 | 174.6 | -103.9 | 0 | 0 | 0 | 113 | A54 I56 T60 L61 A62 W98 P101 F102 | A54-Y58 WeakPolarHBondContact O-CB 3.41Å; A54-Y58 PolarHBondContact O-N 3.47Å; I56-Y58 VanDerWaalsContact C-N 3.34Å; I56-Y58 PolarHBondContact O-N 2.83Å; Y58-T60 VanDerWaalsContact C-N 3.25Å; Y58-T60 PolarHBondContact O-N 3.23Å; Y58-L61 PolarHBondContact O-N 3.48Å; Y58-A62 VanDerWaalsContact O-CB 3.23Å; Y58-A62 WeakPolarHBondContact O-CB 3.43Å; Y58-A62 PolarHBondContact O-N 3.11Å; Y58-W98 HydrophobicContact CE1-CE3 4.36Å; Y58-W98 HydrophobicContact CE1-CZ3 4.5Å; Y58-W98 WeakPolarHBondContact CE2-O 3.25Å; Y58-W98 PolarHBondContact OH-O 3.47Å; Y58-W98 VanDerWaalsContact OH-O 3.12Å; Y58-P101 HydrophobicContact CD2-CB 3.95Å; Y58-P101 HydrophobicContact CE2-CB 3.83Å; Y58-F102 HydrophobicContact CD2-CB 4.31Å; Y58-F102 HydrophobicContact CE2-CB 3.76Å |
| 59 | S | 90.4 | Very high | 89.7 | Confident | 2 Ų | 2 | 20.8 Ų | 20.8 | 1% | 0.014 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64 | -33.7 | -178.8 | 59.7 | 0 | 0 | 0 | 0 | 112.1 | V55 I56 S63 | V55-S59 VanDerWaalsContact O-CB 3.3Å; V55-S59 WeakPolarHBondContact O-CB 3.36Å; V55-S59 PolarHBondContact O-N 3.49Å; V55-S59 PolarHBondContact O-OG 3.07Å; I56-S59 PolarHBondContact O-N 2.6Å; I56-S59 PolarHBondContact O-OG 2.87Å; S59-S63 WeakPolarHBondContact O-CB 3.3Å; S59-S63 PolarHBondContact O-N 3.32Å; S59-S63 PolarHBondContact O-OG 3.11Å |
| 60 | T | 86.5 | Confident | 89.7 | Confident | 11 Ų | 11 | 21.8 Ų | 21.8 | 7% | 0.067 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65.4 | -52.8 | 172.8 | -58.3 | 0 | 0 | 0 | 0 | 111.2 | I56 M57 Y58 A62 S63 V64 M138 F193 | I56-T60 VanDerWaalsContact O-CB 3.31Å; I56-T60 WeakPolarHBondContact O-CB 3.48Å; I56-T60 PolarHBondContact O-N 3.47Å; I56-T60 PolarHBondContact O-OG1 3.17Å; M57-T60 PolarHBondContact O-N 3.19Å; Y58-T60 VanDerWaalsContact C-N 3.25Å; Y58-T60 PolarHBondContact O-N 3.23Å; T60-A62 PolarHBondContact O-N 3.38Å; T60-S63 PolarHBondContact O-N 2.91Å; T60-S63 PolarHBondContact O-OG 3.39Å; T60-V64 WeakPolarHBondContact O-CG2 3.45Å; T60-V64 PolarHBondContact O-N 3.1Å; T60-V64 VanDerWaalsContact O-N 3.13Å; T60-M138 HydrophobicContact CG2-CE 4.28Å; T60-F193 HydrophobicContact CG2-CE2 3.77Å; T60-F193 HydrophobicContact CG2-CZ 3.9Å |
| 61 | L | 91 | Very high | 89.5 | Confident | 5 Ų | 5 | 20 Ų | 20 | 3% | 0.026 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -62.8 | -45.3 | -179.5 | -166 | 60.8 | 0 | 0 | 0 | 111.2 | M57 Y58 S63 V64 F65 P101 F104 V105 L134 M138 | M57-L61 WeakPolarHBondContact O-CB 3.19Å; M57-L61 PolarHBondContact O-N 2.86Å; Y58-L61 PolarHBondContact O-N 3.48Å; L61-S63 VanDerWaalsContact C-N 3.34Å; L61-S63 PolarHBondContact O-N 3.08Å; L61-V64 PolarHBondContact O-N 2.97Å; L61-F65 HydrophobicContact CD1-CD2 3.92Å; L61-F65 HydrophobicContact CD1-CE2 3.61Å; L61-F65 HydrophobicContact CD2-CE2 4.26Å; L61-F65 HydrophobicContact CG-CD2 3.8Å; L61-F65 HydrophobicContact CG-CE2 3.7Å; L61-F65 WeakPolarHBondContact O-CD2 3.35Å; L61-F65 PolarHBondContact O-N 3.46Å; L61-P101 HydrophobicContact CB-CB 4.12Å; L61-P101 HydrophobicContact CD2-CB 4.17Å; L61-P101 HydrophobicContact CG-CB 4.06Å; L61-P101 HydrophobicContact CG-CG 4.49Å; L61-F104 HydrophobicContact CD2-CB 3.61Å; L61-F104 HydrophobicContact CD2-CD2 4.2Å; L61-F104 HydrophobicContact CD2-CG 4.25Å; L61-V105 HydrophobicContact CD2-CG2 4.33Å; L61-L134 HydrophobicContact CD2-CD2 4.09Å; L61-M138 HydrophobicContact CD1-CB 3.92Å; L61-M138 HydrophobicContact CD1-CG 4.45Å |
| 62 | A | 92.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -57.2 | -44.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y58 T60 V64 F65 W66 W98 P101 | Y58-A62 VanDerWaalsContact O-CB 3.23Å; Y58-A62 WeakPolarHBondContact O-CB 3.43Å; Y58-A62 PolarHBondContact O-N 3.11Å; T60-A62 PolarHBondContact O-N 3.38Å; A62-V64 VanDerWaalsContact C-N 3.28Å; A62-V64 PolarHBondContact O-N 3.05Å; A62-F65 PolarHBondContact O-N 3.36Å; A62-W66 WeakPolarHBondContact O-CB 3.49Å; A62-W66 PolarHBondContact O-N 3.46Å; A62-W98 HydrophobicContact CB-CE3 4.21Å; A62-W98 HydrophobicContact CB-CZ3 4.18Å; A62-P101 HydrophobicContact CB-CB 4.09Å; A62-P101 HydrophobicContact CB-CG 4.05Å |
| 63 | S | 89 | Confident | 89.1 | Confident | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -61.2 | -37.3 | 176.3 | 71.7 | 0 | 0 | 0 | 0 | 112.6 | S59 T60 L61 M67 | S59-S63 WeakPolarHBondContact O-CB 3.3Å; S59-S63 PolarHBondContact O-N 3.32Å; S59-S63 PolarHBondContact O-OG 3.11Å; T60-S63 PolarHBondContact O-N 2.91Å; T60-S63 PolarHBondContact O-OG 3.39Å; L61-S63 VanDerWaalsContact C-N 3.34Å; L61-S63 PolarHBondContact O-N 3.08Å; S63-M67 WeakPolarHBondContact O-CG 3.13Å; S63-M67 PolarHBondContact O-N 3.42Å |
| 64 | V | 87.5 | Confident | 88.9 | Confident | 2 Ų | 2 | 18.2 Ų | 18.2 | 1% | 0.012 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -69.1 | -44.5 | 176.2 | 175.3 | 0 | 0 | 0 | 0 | 111.9 | T60 L61 A62 M67 F68 M138 A141 | T60-V64 WeakPolarHBondContact O-CG2 3.45Å; T60-V64 PolarHBondContact O-N 3.1Å; T60-V64 VanDerWaalsContact O-N 3.13Å; L61-V64 PolarHBondContact O-N 2.97Å; A62-V64 VanDerWaalsContact C-N 3.28Å; A62-V64 PolarHBondContact O-N 3.05Å; V64-M67 HydrophobicContact CB-CE 4.3Å; V64-M67 HydrophobicContact CG2-CE 3.93Å; V64-M67 WeakPolarHBondContact O-CB 3.32Å; V64-M67 PolarHBondContact O-N 2.73Å; V64-F68 PolarHBondContact O-N 3.19Å; V64-M138 HydrophobicContact CG1-CG 4.18Å; V64-M138 HydrophobicContact CG2-CE 3.9Å; V64-M138 HydrophobicContact CG2-CG 4.18Å; V64-A141 HydrophobicContact CG1-CB 3.84Å |
| 65 | F | 91.6 | Very high | 88.4 | Confident | 16 Ų | 16 | 18.2 Ų | 18.2 | 7% | 0.07 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63 | -41.5 | 176 | -88.3 | -95.8 | 0 | 0 | 0 | 111.7 | L61 A62 M67 F68 L69 L100 P101 F104 P137 | L61-F65 HydrophobicContact CD1-CD2 3.92Å; L61-F65 HydrophobicContact CD1-CE2 3.61Å; L61-F65 HydrophobicContact CD2-CE2 4.26Å; L61-F65 HydrophobicContact CG-CD2 3.8Å; L61-F65 HydrophobicContact CG-CE2 3.7Å; L61-F65 WeakPolarHBondContact O-CD2 3.35Å; L61-F65 PolarHBondContact O-N 3.46Å; A62-F65 PolarHBondContact O-N 3.36Å; F65-M67 VanDerWaalsContact C-N 3.34Å; F65-M67 PolarHBondContact O-N 3.38Å; F65-F68 WeakPolarHBondContact O-CB 3.26Å; F65-F68 PolarHBondContact O-N 2.96Å; F65-L69 VanDerWaalsContact O-CG 3.27Å; F65-L69 WeakPolarHBondContact O-CG 3.46Å; F65-L69 PolarHBondContact O-N 3.23Å; F65-L100 HydrophobicContact CD1-CB 4.4Å; F65-L100 HydrophobicContact CD1-CD1 4.38Å; F65-L100 HydrophobicContact CE1-CB 4.03Å; F65-L100 HydrophobicContact CE1-CD1 3.85Å; F65-L100 HydrophobicContact CZ-CB 4.42Å; F65-P101 HydrophobicContact CB-CG 4.02Å; F65-P101 HydrophobicContact CD2-CG 3.89Å; F65-P101 HydrophobicContact CG-CG 3.96Å; F65-F104 HydrophobicContact CE2-CD2 4.37Å; F65-F104 HydrophobicContact CE2-CE2 4.43Å; F65-F104 HydrophobicContact CZ-CD2 4.11Å; F65-F104 AromaticContact CZ-CE2 3.74Å; F65-F104 HydrophobicContact CZ-CE2 3.74Å; F65-P137 HydrophobicContact CE2-CB 4.39Å; F65-P137 HydrophobicContact CZ-CB 4.19Å |
| 66 | W | 91.6 | Very high | 87.8 | Confident | 1 Ų | 1 | 18.2 Ų | 18.2 | 0% | 0.004 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.8 | -36.4 | 174.8 | -82.5 | 107.7 | 0 | 0 | 0 | 113 | I20 H23 L24 A27 A62 L69 E70 L94 G97 W98 | I20-W66 HydrophobicContact CG2-CE3 4.34Å; I20-W66 HydrophobicContact CG2-CZ3 4.27Å; H23-W66 HydrophobicContact CB-CD2 3.67Å; H23-W66 HydrophobicContact CB-CE3 3.54Å; H23-W66 HydrophobicContact CB-CH2 3.42Å; H23-W66 VanDerWaalsContact CB-CH2 3.42Å; H23-W66 HydrophobicContact CB-CZ2 3.56Å; H23-W66 HydrophobicContact CB-CZ3 3.4Å; H23-W66 VanDerWaalsContact CB-CZ3 3.4Å; H23-W66 AromaticContact CD2-CH2 3.68Å; H23-W66 AromaticContact CG-CH2 3.51Å; H23-W66 AromaticContact CG-CZ2 3.75Å; H23-W66 AromaticContact CG-CZ3 3.92Å; L24-W66 HydrophobicContact CB-CB 4.16Å; L24-W66 HydrophobicContact CD1-CB 3.61Å; A27-W66 HydrophobicContact CB-CG 4.42Å; A62-W66 WeakPolarHBondContact O-CB 3.49Å; A62-W66 PolarHBondContact O-N 3.46Å; W66-L69 HydrophobicContact CE3-CD1 4.36Å; W66-L69 HydrophobicContact CZ3-CD1 4.46Å; W66-L69 PolarHBondContact O-N 3.4Å; W66-E70 PolarHBondContact O-N 2.85Å; W66-L94 HydrophobicContact CH2-CD1 4.06Å; W66-L94 HydrophobicContact CZ2-CD1 4.07Å; W66-G97 PolarHBondContact NE1-O 3.38Å; W66-W98 AromaticContact CE2-CE2 3.82Å; W66-W98 AromaticContact CE2-NE1 3.59Å; W66-W98 AromaticContact CZ2-CD1 3.45Å; W66-W98 VanDerWaalsContact CZ2-CD1 3.45Å; W66-W98 HydrophobicContact CZ2-CD2 4.49Å; W66-W98 AromaticContact CZ2-CE2 3.92Å; W66-W98 HydrophobicContact CZ2-CG 4.22Å; W66-W98 AromaticContact CZ2-NE1 3.19Å; W66-W98 AromaticContact NE1-CD1 3.94Å; W66-W98 AromaticContact NE1-CD2 3.53Å; W66-W98 AromaticContact NE1-CE2 3.29Å; W66-W98 VanDerWaalsContact NE1-CE2 3.29Å; W66-W98 AromaticContact NE1-CG 3.93Å; W66-W98 AromaticContact NE1-CZ2 3.62Å; W66-W98 AromaticContact NE1-NE1 3.53Å |
| 67 | M | 86.9 | Confident | 87.3 | Confident | 10 Ų | 10 | 21.2 Ų | 21.2 | 5% | 0.049 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63.4 | -45.9 | 172.2 | -75.3 | -172.5 | -73 | 0 | 0 | 111.2 | L24 F28 S63 V64 F65 L69 E70 G71 L185 | L24-M67 HydrophobicContact CD1-CB 4.4Å; L24-M67 HydrophobicContact CD1-CG 3.64Å; L24-M67 HydrophobicContact CD2-CG 4.47Å; F28-M67 HydrophobicContact CE2-CG 4.28Å; F28-M67 HydrophobicContact CZ-CE 4.23Å; F28-M67 HydrophobicContact CZ-CG 3.98Å; F28-M67 HydrophobicContact CZ-SD 3.72Å; S63-M67 WeakPolarHBondContact O-CG 3.13Å; S63-M67 PolarHBondContact O-N 3.42Å; V64-M67 HydrophobicContact CB-CE 4.3Å; V64-M67 HydrophobicContact CG2-CE 3.93Å; V64-M67 WeakPolarHBondContact O-CB 3.32Å; V64-M67 PolarHBondContact O-N 2.73Å; F65-M67 VanDerWaalsContact C-N 3.34Å; F65-M67 PolarHBondContact O-N 3.38Å; M67-L69 VanDerWaalsContact C-N 3.33Å; M67-L69 PolarHBondContact O-N 3.43Å; M67-E70 PolarHBondContact O-N 3.42Å; M67-G71 PolarHBondContact O-N 3.46Å; M67-L185 HydrophobicContact SD-CB 4.42Å |
| 68 | F | 88.3 | Confident | 86.4 | Confident | 46 Ų | 46 | 25.3 Ų | 25.3 | 20% | 0.202 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -58.4 | -43.9 | 176.1 | 163.7 | -102.3 | 0 | 0 | 0 | 112 | V64 F65 G71 S72 A141 L144 F148 | V64-F68 PolarHBondContact O-N 3.19Å; F65-F68 WeakPolarHBondContact O-CB 3.26Å; F65-F68 PolarHBondContact O-N 2.96Å; F68-G71 PolarHBondContact O-N 2.88Å; F68-S72 PolarHBondContact O-N 3.25Å; F68-S72 PolarHBondContact O-OG 3.09Å; F68-A141 HydrophobicContact CB-CB 4.21Å; F68-A141 HydrophobicContact CG-CB 4.48Å; F68-L144 HydrophobicContact CD2-CB 3.83Å; F68-L144 HydrophobicContact CD2-CD1 4.25Å; F68-L144 HydrophobicContact CE2-CB 3.72Å; F68-L144 HydrophobicContact CE2-CD1 3.54Å; F68-L144 HydrophobicContact CE2-CG 4.26Å; F68-L144 HydrophobicContact CZ-CD1 4.18Å; F68-F148 HydrophobicContact CD2-CD2 4.43Å; F68-F148 AromaticContact CD2-CE2 3.64Å; F68-F148 HydrophobicContact CD2-CE2 3.64Å; F68-F148 HydrophobicContact CD2-CZ 4.48Å; F68-F148 AromaticContact CE2-CE2 3.41Å; F68-F148 HydrophobicContact CE2-CE2 3.41Å; F68-F148 VanDerWaalsContact CE2-CE2 3.41Å; F68-F148 AromaticContact CE2-CZ 3.84Å; F68-F148 HydrophobicContact CE2-CZ 3.84Å; F68-F148 HydrophobicContact CZ-CE2 4.37Å |
| 69 | L | 90.3 | Very high | 85.1 | Confident | 7 Ų | 7 | 26 Ų | 26 | 4% | 0.037 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -68.7 | -35.5 | 179.1 | -68.9 | 173.6 | 0 | 0 | 0 | 113.1 | F65 W66 M67 S72 Y73 Y93 T96 G97 | F65-L69 VanDerWaalsContact O-CG 3.27Å; F65-L69 WeakPolarHBondContact O-CG 3.46Å; F65-L69 PolarHBondContact O-N 3.23Å; W66-L69 HydrophobicContact CE3-CD1 4.36Å; W66-L69 HydrophobicContact CZ3-CD1 4.46Å; W66-L69 PolarHBondContact O-N 3.4Å; M67-L69 VanDerWaalsContact C-N 3.33Å; M67-L69 PolarHBondContact O-N 3.43Å; L69-S72 WeakPolarHBondContact CA-OG 3.36Å; L69-S72 PolarHBondContact O-OG 3.36Å; L69-S72 VanDerWaalsContact O-OG 3.13Å; L69-Y73 WeakPolarHBondContact O-CB 3.18Å; L69-Y73 PolarHBondContact O-N 2.85Å; L69-Y93 HydrophobicContact CB-CD1 4.07Å; L69-Y93 VanDerWaalsContact CD1-O 3.27Å; L69-Y93 WeakPolarHBondContact CD1-O 2.94Å; L69-Y93 HydrophobicContact CD2-CD1 3.63Å; L69-Y93 HydrophobicContact CD2-CE1 4.02Å; L69-Y93 HydrophobicContact CG-CD1 4.26Å; L69-T96 WeakPolarHBondContact CD2-OG1 3.1Å; L69-G97 VanDerWaalsContact CD1-CA 3.43Å |
| 70 | E | 86.9 | Confident | 83.6 | Confident | 46 Ų | 46 | 33.3 Ų | 33.3 | 22% | 0.215 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.3 | -45.3 | 171.3 | -171.6 | 179.7 | -142.9 | 0 | 0 | 110.6 | I20 H21 L24 W66 M67 Y73 L74 | I20-E70 HydrophobicContact CG2-CB 4.1Å; I20-E70 HydrophobicContact CG2-CG 4.46Å; H21-E70 IonicContact CG-OE1 3.81Å; H21-E70 IonicContact ND1-OE1 3.26Å; H21-E70 PolarHBondContact ND1-OE1 3.46Å; L24-E70 WeakPolarHBondContact CD2-OE2 3.26Å; W66-E70 PolarHBondContact O-N 2.85Å; M67-E70 PolarHBondContact O-N 3.42Å; E70-Y73 PolarHBondContact O-N 3.15Å; E70-L74 HydrophobicContact CG-CD1 4.4Å; E70-L74 VanDerWaalsContact O-CG 3.29Å; E70-L74 WeakPolarHBondContact O-CG 3.36Å; E70-L74 PolarHBondContact O-N 2.9Å |
| 71 | G | 85.1 | Confident | 82.1 | Confident | 5 Ų | 5 | 39.6 Ų | 39.6 | 5% | 0.052 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.7 | -47.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | M67 F68 Y73 L74 V75 | M67-G71 PolarHBondContact O-N 3.46Å; F68-G71 PolarHBondContact O-N 2.88Å; G71-Y73 PolarHBondContact O-N 3.11Å; G71-L74 PolarHBondContact O-N 3.42Å; G71-V75 WeakPolarHBondContact O-CG2 3.37Å; G71-V75 PolarHBondContact O-N 2.88Å |
| 72 | S | 86.2 | Confident | 80.2 | Confident | 21 Ų | 21 | 43 Ų | 43 | 15% | 0.147 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.4 | -39.3 | 179.4 | 67.9 | 0 | 0 | 0 | 0 | 112.1 | F68 L69 V75 S76 | F68-S72 PolarHBondContact O-N 3.25Å; F68-S72 PolarHBondContact O-OG 3.09Å; L69-S72 WeakPolarHBondContact CA-OG 3.36Å; L69-S72 PolarHBondContact O-OG 3.36Å; L69-S72 VanDerWaalsContact O-OG 3.13Å; S72-V75 PolarHBondContact O-N 3.48Å; S72-S76 VanDerWaalsContact O-CB 3.25Å; S72-S76 WeakPolarHBondContact O-CB 3.49Å; S72-S76 PolarHBondContact O-N 2.9Å |
| 73 | Y | 84.9 | Confident | 77.9 | Confident | 17 Ų | 17 | 50.4 Ų | 50.4 | 7% | 0.067 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.4 | -42.7 | 174.2 | 177.3 | -96.8 | 0 | 0 | 0 | 111.9 | R17 I20 L69 E70 G71 R77 | R17-Y73 HydrophobicContact CB-CE1 3.85Å; R17-Y73 HydrophobicContact CG-CE1 4.35Å; I20-Y73 HydrophobicContact CD1-CD1 3.82Å; I20-Y73 HydrophobicContact CD1-CD2 3.49Å; I20-Y73 VanDerWaalsContact CD1-CD2 3.49Å; I20-Y73 HydrophobicContact CD1-CE1 4.27Å; I20-Y73 HydrophobicContact CD1-CE2 3.97Å; I20-Y73 HydrophobicContact CD1-CG 3.4Å; I20-Y73 VanDerWaalsContact CD1-CG 3.4Å; L69-Y73 WeakPolarHBondContact O-CB 3.18Å; L69-Y73 PolarHBondContact O-N 2.85Å; E70-Y73 PolarHBondContact O-N 3.15Å; G71-Y73 PolarHBondContact O-N 3.11Å; Y73-R77 PolarHBondContact O-N 2.91Å |
| 74 | L | 83.1 | Confident | 76 | Confident | 46 Ų | 46 | 61.9 Ų | 61.9 | 24% | 0.241 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.1 | -48.5 | 176.3 | -74 | 173 | 0 | 0 | 0 | 111.4 | E70 G71 R77 F78 I152 | E70-L74 HydrophobicContact CG-CD1 4.4Å; E70-L74 VanDerWaalsContact O-CG 3.29Å; E70-L74 WeakPolarHBondContact O-CG 3.36Å; E70-L74 PolarHBondContact O-N 2.9Å; G71-L74 PolarHBondContact O-N 3.42Å; L74-R77 WeakPolarHBondContact O-CB 3.46Å; L74-R77 PolarHBondContact O-N 2.77Å; L74-F78 WeakPolarHBondContact O-CD2 3.41Å; L74-F78 PolarHBondContact O-N 3.06Å; L74-I152 HydrophobicContact CB-CD1 3.6Å; L74-I152 HydrophobicContact CB-CG1 4.49Å; L74-I152 HydrophobicContact CD1-CD1 4.09Å |
| 75 | V | 81.8 | Confident | 74.2 | Confident | 17 Ų | 17 | 64.9 Ų | 64.9 | 10% | 0.103 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.9 | -49.9 | 178.2 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | G71 S72 R77 F78 T79 F148 I152 | G71-V75 WeakPolarHBondContact O-CG2 3.37Å; G71-V75 PolarHBondContact O-N 2.88Å; S72-V75 PolarHBondContact O-N 3.48Å; V75-R77 PolarHBondContact O-N 3.23Å; V75-R77 VanDerWaalsContact O-N 3.13Å; V75-F78 PolarHBondContact O-N 3.25Å; V75-T79 HydrophobicContact CG1-CG2 3.88Å; V75-T79 PolarHBondContact O-N 3.33Å; V75-T79 PolarHBondContact O-OG1 3.09Å; V75-T79 VanDerWaalsContact O-OG1 3.06Å; V75-F148 HydrophobicContact CB-CD1 4.42Å; V75-F148 HydrophobicContact CG2-CB 3.69Å; V75-F148 HydrophobicContact CG2-CD1 3.79Å; V75-F148 HydrophobicContact CG2-CG 3.89Å; V75-I152 HydrophobicContact CG2-CD1 3.94Å; V75-I152 HydrophobicContact CG2-CG1 3.87Å |
| 76 | S | 80.8 | Confident | 72.6 | Confident | 48 Ų | 48 | 69.2 Ų | 69.2 | 34% | 0.336 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -53.3 | -37.6 | 178.9 | 173.2 | 0 | 0 | 0 | 0 | 112.4 | S72 | S72-S76 VanDerWaalsContact O-CB 3.25Å; S72-S76 WeakPolarHBondContact O-CB 3.49Å; S72-S76 PolarHBondContact O-N 2.9Å |
| 77 | R | 74.8 | Confident | 71.1 | Confident | 84 Ų | 84 | 77.1 Ų | 77.1 | 32% | 0.317 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -68.2 | -35.4 | 176.2 | -170.3 | -172.7 | 179.7 | -165.8 | 1.8 | 113.2 | Y73 L74 V75 | Y73-R77 PolarHBondContact O-N 2.91Å; L74-R77 WeakPolarHBondContact O-CB 3.46Å; L74-R77 PolarHBondContact O-N 2.77Å; V75-R77 PolarHBondContact O-N 3.23Å; V75-R77 VanDerWaalsContact O-N 3.13Å |
| 78 | F | 72.1 | Confident | 69.9 | Low | 94 Ų | 94 | 78.5 Ų | 78.5 | 41% | 0.412 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -82 | -30.7 | -179.9 | -78.3 | -72.5 | 0 | 0 | 0 | 113.1 | L74 V75 I80 L155 | L74-F78 WeakPolarHBondContact O-CD2 3.41Å; L74-F78 PolarHBondContact O-N 3.06Å; V75-F78 PolarHBondContact O-N 3.25Å; F78-I80 PolarHBondContact O-N 2.78Å; F78-L155 HydrophobicContact CB-CD1 3.78Å; F78-L155 HydrophobicContact CG-CD1 4.21Å |
| 79 | T | 66.4 | Low | 69.3 | Low | 68 Ų | 68 | 80.8 Ų | 80.8 | 42% | 0.417 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | 40.4 | -168.7 | 60.8 | 0 | 0 | 0 | 0 | 114.9 | V75 M81 | V75-T79 HydrophobicContact CG1-CG2 3.88Å; V75-T79 PolarHBondContact O-N 3.33Å; V75-T79 PolarHBondContact O-OG1 3.09Å; V75-T79 VanDerWaalsContact O-OG1 3.06Å; T79-M81 PolarHBondContact O-N 2.89Å |
| 80 | I | 58.9 | Low | 68.7 | Low | 156 Ų | 156 | 83 Ų | 83 | 80% | 0.8 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.5 | -4.2 | 162.9 | -56 | 170.4 | 0 | 0 | 0 | 115.9 | F78 A82 | F78-I80 PolarHBondContact O-N 2.78Å; I80-A82 PolarHBondContact O-N 3.26Å |
| 81 | M | 54 | Low | 68.6 | Low | 142 Ų | 142 | 85.8 Ų | 85.8 | 70% | 0.7 | 44% | 0.44 | S | S | * | . | trans | -81.5 | 40.7 | 172.3 | -96 | -79.4 | 135.5 | 0 | 0 | 113.6 | T79 M83 | T79-M81 PolarHBondContact O-N 2.89Å; M81-M83 PolarHBondContact O-N 3.44Å | ||
| 82 | A | 52 | Low | 68.7 | Low | 76 Ų | 76 | 90.4 Ų | 90.4 | 63% | 0.628 | 46% | 0.463 | S | S | * | . | trans | -76.5 | 20.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | I80 | I80-A82 PolarHBondContact O-N 3.26Š| ||
| 83 | M | 43.9 | Very low | 68.7 | Low | 157 Ų | 157 | 91.4 Ų | 91.4 | 77% | 0.773 | 46% | 0.464 | S | S | * | . | trans | -116.8 | 111.9 | -173.1 | -68.1 | -65.2 | -141.6 | 0 | 0 | 111.7 | M81 | M81-M83 PolarHBondContact O-N 3.44Š| ||
| 84 | R | 50 | Low | 68.9 | Low | 241 Ų | 241 | 93.7 Ų | 93.7 | 91% | 0.909 | 48% | 0.477 | S | S | * | . | S | Bend | trans | 84.9 | 64.5 | 134.1 | -150.2 | 175.1 | -166.8 | 136.3 | 0.5 | 118.9 | ||
| 85 | S | 48.3 | Very low | 69.3 | Low | 65 Ų | 65 | 96.5 Ų | 96.5 | 46% | 0.455 | 49% | 0.492 | S | S | . | . | trans | 177 | 93.7 | 138.4 | 165.2 | 0 | 0 | 0 | 0 | 109.5 | E87 H89 | S85-E87 PolarHBondContact O-N 3.45Å; S85-H89 PolarHBondContact O-ND1 2.92Å; S85-H89 PolarHBondContact OG-ND1 3.26Å | ||
| 86 | E | 57.9 | Low | 69.8 | Low | 106 Ų | 106 | 97.8 Ų | 97.8 | 50% | 0.495 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -24.4 | -163.9 | -71 | -129.8 | 115 | 0 | 0 | 115.2 | R16 | R16-E86 IonicContact NH1-OE1 3.57Š|
| 87 | E | 60.2 | Low | 70.3 | Confident | 167 Ų | 167 | 95.5 Ų | 95.5 | 78% | 0.78 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.2 | -44.9 | -169.9 | -61.7 | -169.9 | 165.3 | 0 | 0 | 113.8 | S85 H89 F90 | S85-E87 PolarHBondContact O-N 3.45Å; E87-H89 VanDerWaalsContact C-N 3.26Å; E87-H89 PolarHBondContact O-N 3.44Å; E87-F90 PolarHBondContact O-N 2.88Å |
| 88 | G | 62.4 | Low | 71.3 | Confident | 40 Ų | 40 | 94 Ų | 94 | 41% | 0.412 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.8 | -31.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | F90 | G88-F90 PolarHBondContact O-N 2.93Å |
| 89 | H | 75.3 | Confident | 72.3 | Confident | 94 Ų | 94 | 91 Ų | 91 | 44% | 0.435 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.7 | -37.1 | 179.4 | -70.6 | 81 | 0 | 0 | 0 | 112 | S85 E87 I91 L92 Y93 | S85-H89 PolarHBondContact O-ND1 2.92Å; S85-H89 PolarHBondContact OG-ND1 3.26Å; E87-H89 VanDerWaalsContact C-N 3.26Å; E87-H89 PolarHBondContact O-N 3.44Å; H89-I91 PolarHBondContact O-N 3.34Å; H89-L92 WeakPolarHBondContact O-CB 3.29Å; H89-L92 PolarHBondContact O-N 3.41Å; H89-Y93 HydrophobicContact CB-CE2 4.48Å; H89-Y93 WeakPolarHBondContact O-CD2 3.31Å; H89-Y93 PolarHBondContact O-N 3.34Å; H89-Y93 VanDerWaalsContact O-N 3.11Å |
| 90 | F | 78.7 | Confident | 73.6 | Confident | 52 Ų | 52 | 90.9 Ų | 90.9 | 23% | 0.228 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -68.3 | -36.7 | -174 | -174.4 | -102.8 | 0 | 0 | 0 | 113 | T19 I20 E87 G88 L92 Y93 L94 | T19-F90 HydrophobicContact CG2-CE1 4.43Å; T19-F90 HydrophobicContact CG2-CE2 4.21Å; T19-F90 HydrophobicContact CG2-CZ 3.55Å; I20-F90 HydrophobicContact CG1-CE2 4.2Å; E87-F90 PolarHBondContact O-N 2.88Å; G88-F90 PolarHBondContact O-N 2.93Å; F90-L92 VanDerWaalsContact C-N 3.28Å; F90-L92 PolarHBondContact O-N 2.95Å; F90-Y93 WeakPolarHBondContact O-CB 3.3Å; F90-Y93 PolarHBondContact O-N 3.37Å; F90-Y93 VanDerWaalsContact O-N 3.15Å; F90-L94 PolarHBondContact O-N 3.02Å |
| 91 | I | 83.5 | Confident | 75.4 | Confident | 105 Ų | 105 | 83.5 Ų | 83.5 | 54% | 0.538 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.1 | -39.8 | 174.6 | -63.1 | 174.2 | 0 | 0 | 0 | 110.3 | H89 Y93 L94 L95 | H89-I91 PolarHBondContact O-N 3.34Å; I91-Y93 VanDerWaalsContact C-N 3.34Å; I91-Y93 PolarHBondContact O-N 3.49Å; I91-L94 PolarHBondContact O-N 2.86Å; I91-L94 VanDerWaalsContact O-N 3.14Å; I91-L95 HydrophobicContact CG2-CD1 3.93Å; I91-L95 HydrophobicContact CG2-CG 4.2Å; I91-L95 WeakPolarHBondContact O-CB 3.2Å; I91-L95 WeakPolarHBondContact O-CG 3.27Å; I91-L95 PolarHBondContact O-N 3Å |
| 92 | L | 86.6 | Confident | 77.3 | Confident | 102 Ų | 102 | 82.3 Ų | 82.3 | 53% | 0.534 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62 | -40.6 | 174.3 | -64.5 | 170.9 | 0 | 0 | 0 | 111.8 | H89 F90 L94 L95 T96 | H89-L92 WeakPolarHBondContact O-CB 3.29Å; H89-L92 PolarHBondContact O-N 3.41Å; F90-L92 VanDerWaalsContact C-N 3.28Å; F90-L92 PolarHBondContact O-N 2.95Å; L92-L94 VanDerWaalsContact C-N 3.32Å; L92-L94 PolarHBondContact O-N 3.14Å; L92-L95 PolarHBondContact O-N 3.48Å; L92-T96 WeakPolarHBondContact O-CB 3.46Å; L92-T96 WeakPolarHBondContact O-CG2 3.28Å; L92-T96 PolarHBondContact O-N 3.42Å; L92-T96 PolarHBondContact O-OG1 3.31Å |
| 93 | Y | 87.5 | Confident | 79.4 | Confident | 42 Ų | 42 | 83 Ų | 83 | 17% | 0.165 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -59.6 | -41.9 | 172.6 | -78.9 | -86.8 | 0 | 0 | 0 | 111.7 | L69 H89 F90 I91 T96 G97 | L69-Y93 HydrophobicContact CB-CD1 4.07Å; L69-Y93 VanDerWaalsContact CD1-O 3.27Å; L69-Y93 WeakPolarHBondContact CD1-O 2.94Å; L69-Y93 HydrophobicContact CD2-CD1 3.63Å; L69-Y93 HydrophobicContact CD2-CE1 4.02Å; L69-Y93 HydrophobicContact CG-CD1 4.26Å; H89-Y93 HydrophobicContact CB-CE2 4.48Å; H89-Y93 WeakPolarHBondContact O-CD2 3.31Å; H89-Y93 PolarHBondContact O-N 3.34Å; H89-Y93 VanDerWaalsContact O-N 3.11Å; F90-Y93 WeakPolarHBondContact O-CB 3.3Å; F90-Y93 PolarHBondContact O-N 3.37Å; F90-Y93 VanDerWaalsContact O-N 3.15Å; I91-Y93 VanDerWaalsContact C-N 3.34Å; I91-Y93 PolarHBondContact O-N 3.49Å; Y93-T96 WeakPolarHBondContact CA-OG1 3.16Å; Y93-T96 PolarHBondContact O-OG1 3.5Å; Y93-G97 PolarHBondContact O-N 3.28Å |
| 94 | L | 89.1 | Confident | 81.8 | Confident | 65 Ų | 65 | 78.3 Ų | 78.3 | 34% | 0.34 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -68.9 | -43.3 | 179.6 | -170.7 | 67.4 | 0 | 0 | 0 | 112.5 | W66 F90 I91 L92 G97 W98 | W66-L94 HydrophobicContact CH2-CD1 4.06Å; W66-L94 HydrophobicContact CZ2-CD1 4.07Å; F90-L94 PolarHBondContact O-N 3.02Å; I91-L94 PolarHBondContact O-N 2.86Å; I91-L94 VanDerWaalsContact O-N 3.14Å; L92-L94 VanDerWaalsContact C-N 3.32Å; L92-L94 PolarHBondContact O-N 3.14Å; L94-G97 PolarHBondContact O-N 3.27Å; L94-W98 PolarHBondContact O-N 3.18Å; L94-W98 VanDerWaalsContact O-N 3.11Å |
| 95 | L | 91.3 | Very high | 84 | Confident | 106 Ų | 106 | 67.3 Ų | 67.3 | 56% | 0.555 | 35% | 0.354 | S | S | * | . | I | π-helix | trans | -65.2 | -39.8 | 176.8 | -71 | 175.2 | 0 | 0 | 0 | 111.9 | I91 L92 G99 L100 | I91-L95 HydrophobicContact CG2-CD1 3.93Å; I91-L95 HydrophobicContact CG2-CG 4.2Å; I91-L95 WeakPolarHBondContact O-CB 3.2Å; I91-L95 WeakPolarHBondContact O-CG 3.27Å; I91-L95 PolarHBondContact O-N 3Å; L92-L95 PolarHBondContact O-N 3.48Å; L95-G99 CarbonylContact O-C 3.35Å; L95-G99 WeakPolarHBondContact O-CA 3.41Å; L95-G99 PolarHBondContact O-N 3.01Å; L95-L100 PolarHBondContact O-N 2.97Å |
| 96 | T | 91.6 | Very high | 86.2 | Confident | 43 Ų | 43 | 67.9 Ų | 67.9 | 26% | 0.264 | 35% | 0.352 | S | S | . | . | I | π-helix | trans | -70.7 | -36.6 | 176 | 51.6 | 0 | 0 | 0 | 0 | 111.8 | L69 L92 Y93 L100 P101 | L69-T96 WeakPolarHBondContact CD2-OG1 3.1Å; L92-T96 WeakPolarHBondContact O-CB 3.46Å; L92-T96 WeakPolarHBondContact O-CG2 3.28Å; L92-T96 PolarHBondContact O-N 3.42Å; L92-T96 PolarHBondContact O-OG1 3.31Å; Y93-T96 WeakPolarHBondContact CA-OG1 3.16Å; Y93-T96 PolarHBondContact O-OG1 3.5Å; T96-L100 HydrophobicContact CG2-CD1 3.84Å; T96-L100 WeakPolarHBondContact O-CB 3.29Å; T96-P101 WeakPolarHBondContact O-CD 3.37Å |
| 97 | G | 92.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 34% | 0.342 | C | S | . | . | I | π-helix | trans | -71.8 | -38.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | W66 L69 Y93 L94 P101 | W66-G97 PolarHBondContact NE1-O 3.38Å; L69-G97 VanDerWaalsContact CD1-CA 3.43Å; Y93-G97 PolarHBondContact O-N 3.28Å; L94-G97 PolarHBondContact O-N 3.27Å; G97-P101 WeakPolarHBondContact O-CG 3.42Å |
| 98 | W | 94.7 | Very high | 89.5 | Confident | 54 Ų | 54 | 56.2 Ų | 56.2 | 21% | 0.205 | 31% | 0.305 | C | S | . | . | I | π-helix | trans | -108.9 | -33.3 | -179.7 | -65.3 | 112.4 | 0 | 0 | 0 | 114.2 | H23 T26 A27 I30 Y58 A62 W66 L94 | H23-W98 AromaticContact ND1-NE1 3.4Å; H23-W98 PolarHBondContact ND1-NE1 2.89Å; T26-W98 HydrophobicContact CG2-CH2 4.45Å; A27-W98 HydrophobicContact CB-CH2 3.91Å; A27-W98 HydrophobicContact CB-CZ3 4.41Å; I30-W98 HydrophobicContact CD1-CH2 3.94Å; I30-W98 HydrophobicContact CD1-CZ3 4.29Å; Y58-W98 HydrophobicContact CE1-CE3 4.36Å; Y58-W98 HydrophobicContact CE1-CZ3 4.5Å; Y58-W98 WeakPolarHBondContact CE2-O 3.25Å; Y58-W98 PolarHBondContact OH-O 3.47Å; Y58-W98 VanDerWaalsContact OH-O 3.12Å; A62-W98 HydrophobicContact CB-CE3 4.21Å; A62-W98 HydrophobicContact CB-CZ3 4.18Å; W66-W98 AromaticContact CE2-CE2 3.82Å; W66-W98 AromaticContact CE2-NE1 3.59Å; W66-W98 AromaticContact CZ2-CD1 3.45Å; W66-W98 VanDerWaalsContact CZ2-CD1 3.45Å; W66-W98 HydrophobicContact CZ2-CD2 4.49Å; W66-W98 AromaticContact CZ2-CE2 3.92Å; W66-W98 HydrophobicContact CZ2-CG 4.22Å; W66-W98 AromaticContact CZ2-NE1 3.19Å; W66-W98 AromaticContact NE1-CD1 3.94Å; W66-W98 AromaticContact NE1-CD2 3.53Å; W66-W98 AromaticContact NE1-CE2 3.29Å; W66-W98 VanDerWaalsContact NE1-CE2 3.29Å; W66-W98 AromaticContact NE1-CG 3.93Å; W66-W98 AromaticContact NE1-CZ2 3.62Å; W66-W98 AromaticContact NE1-NE1 3.53Å; L94-W98 PolarHBondContact O-N 3.18Å; L94-W98 VanDerWaalsContact O-N 3.11Å |
| 99 | G | 94.8 | Very high | 90.9 | Very high | 29 Ų | 29 | 55.7 Ų | 55.7 | 30% | 0.299 | 29% | 0.293 | S | S | . | . | I | π-helix | trans | -80.4 | -47.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L95 F102 V103 | L95-G99 CarbonylContact O-C 3.35Å; L95-G99 WeakPolarHBondContact O-CA 3.41Å; L95-G99 PolarHBondContact O-N 3.01Å; G99-F102 WeakPolarHBondContact O-CB 3.12Å; G99-F102 PolarHBondContact O-N 2.95Å; G99-V103 WeakPolarHBondContact O-CG2 3.5Å; G99-V103 PolarHBondContact O-N 3.06Å |
| 100 | L | 93.7 | Very high | 91.7 | Very high | 67 Ų | 67 | 55.7 Ų | 55.7 | 35% | 0.351 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -57.9 | -47.2 | 177.2 | -75.7 | 174.4 | 0 | 0 | 0 | 112.5 | F65 L95 T96 F102 V103 F104 | F65-L100 HydrophobicContact CD1-CB 4.4Å; F65-L100 HydrophobicContact CD1-CD1 4.38Å; F65-L100 HydrophobicContact CE1-CB 4.03Å; F65-L100 HydrophobicContact CE1-CD1 3.85Å; F65-L100 HydrophobicContact CZ-CB 4.42Å; L95-L100 PolarHBondContact O-N 2.97Å; T96-L100 HydrophobicContact CG2-CD1 3.84Å; T96-L100 WeakPolarHBondContact O-CB 3.29Å; L100-F102 PolarHBondContact O-N 3.13Å; L100-V103 PolarHBondContact O-N 3.37Å; L100-V103 VanDerWaalsContact O-N 3.14Å; L100-F104 HydrophobicContact CB-CD2 4.44Å; L100-F104 HydrophobicContact CB-CE2 4.25Å; L100-F104 HydrophobicContact CD2-CE2 4.41Å; L100-F104 WeakPolarHBondContact O-CD2 3.39Å; L100-F104 PolarHBondContact O-N 2.88Å |
| 101 | P | 94.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -56.1 | -37.7 | 174 | -26.8 | 33.7 | 0 | 0 | 0 | 113.4 | Y58 L61 A62 F65 T96 G97 V105 | Y58-P101 HydrophobicContact CD2-CB 3.95Å; Y58-P101 HydrophobicContact CE2-CB 3.83Å; L61-P101 HydrophobicContact CB-CB 4.12Å; L61-P101 HydrophobicContact CD2-CB 4.17Å; L61-P101 HydrophobicContact CG-CB 4.06Å; L61-P101 HydrophobicContact CG-CG 4.49Å; A62-P101 HydrophobicContact CB-CB 4.09Å; A62-P101 HydrophobicContact CB-CG 4.05Å; F65-P101 HydrophobicContact CB-CG 4.02Å; F65-P101 HydrophobicContact CD2-CG 3.89Å; F65-P101 HydrophobicContact CG-CG 3.96Å; T96-P101 WeakPolarHBondContact O-CD 3.37Å; G97-P101 WeakPolarHBondContact O-CG 3.42Å; P101-V105 WeakPolarHBondContact O-CB 3.44Å; P101-V105 VanDerWaalsContact O-CG2 3.26Å; P101-V105 WeakPolarHBondContact O-CG2 3.46Å; P101-V105 PolarHBondContact O-N 3.14Å |
| 102 | F | 95.3 | Very high | 92.6 | Very high | 117 Ų | 117 | 49.8 Ų | 49.8 | 51% | 0.513 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.9 | -45.3 | 177.8 | 179.5 | -100.3 | 0 | 0 | 0 | 110.9 | Y58 G99 L100 V105 L106 | Y58-F102 HydrophobicContact CD2-CB 4.31Å; Y58-F102 HydrophobicContact CE2-CB 3.76Å; G99-F102 WeakPolarHBondContact O-CB 3.12Å; G99-F102 PolarHBondContact O-N 2.95Å; L100-F102 PolarHBondContact O-N 3.13Å; F102-V105 PolarHBondContact O-N 3.03Å; F102-L106 HydrophobicContact CE1-CD2 3.98Å; F102-L106 HydrophobicContact CZ-CD2 4.34Å; F102-L106 WeakPolarHBondContact O-CB 3.48Å; F102-L106 PolarHBondContact O-N 3.43Å |
| 103 | V | 95.7 | Very high | 92.7 | Very high | 91 Ų | 91 | 48.9 Ų | 48.9 | 55% | 0.552 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -62.3 | -46.2 | 178.5 | 174.3 | 0 | 0 | 0 | 0 | 111.7 | G99 L100 L106 G107 | G99-V103 WeakPolarHBondContact O-CG2 3.5Å; G99-V103 PolarHBondContact O-N 3.06Å; L100-V103 PolarHBondContact O-N 3.37Å; L100-V103 VanDerWaalsContact O-N 3.14Å; V103-L106 PolarHBondContact O-N 3.19Å; V103-G107 PolarHBondContact O-N 3.4Å |
| 104 | F | 95.2 | Very high | 92.7 | Very high | 58 Ų | 58 | 53.9 Ų | 53.9 | 25% | 0.254 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63 | -43.6 | 178.3 | -75.5 | -64.3 | 0 | 0 | 0 | 112.3 | L61 F65 L100 G107 W108 L134 P137 | L61-F104 HydrophobicContact CD2-CB 3.61Å; L61-F104 HydrophobicContact CD2-CD2 4.2Å; L61-F104 HydrophobicContact CD2-CG 4.25Å; F65-F104 HydrophobicContact CE2-CD2 4.37Å; F65-F104 HydrophobicContact CE2-CE2 4.43Å; F65-F104 HydrophobicContact CZ-CD2 4.11Å; F65-F104 AromaticContact CZ-CE2 3.74Å; F65-F104 HydrophobicContact CZ-CE2 3.74Å; L100-F104 HydrophobicContact CB-CD2 4.44Å; L100-F104 HydrophobicContact CB-CE2 4.25Å; L100-F104 HydrophobicContact CD2-CE2 4.41Å; L100-F104 WeakPolarHBondContact O-CD2 3.39Å; L100-F104 PolarHBondContact O-N 2.88Å; F104-G107 PolarHBondContact O-N 3Å; F104-W108 WeakPolarHBondContact O-CB 3.4Å; F104-W108 PolarHBondContact O-N 2.88Å; F104-L134 HydrophobicContact CB-CD2 4.17Å; F104-P137 HydrophobicContact CD1-CB 4.37Å; F104-P137 HydrophobicContact CD1-CG 3.86Å; F104-P137 HydrophobicContact CD2-CB 4.23Å; F104-P137 HydrophobicContact CD2-CG 4.26Å; F104-P137 HydrophobicContact CE1-CB 4.02Å; F104-P137 HydrophobicContact CE1-CG 3.92Å; F104-P137 HydrophobicContact CE2-CB 3.88Å; F104-P137 HydrophobicContact CE2-CG 4.33Å; F104-P137 HydrophobicContact CG-CB 4.49Å; F104-P137 HydrophobicContact CG-CG 4.06Å; F104-P137 HydrophobicContact CZ-CB 3.77Å; F104-P137 HydrophobicContact CZ-CG 4.17Å |
| 105 | V | 94.6 | Very high | 92.5 | Very high | 10 Ų | 10 | 53.3 Ų | 53.3 | 6% | 0.061 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -68.2 | -42.5 | 178 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | A54 M57 L61 P101 F102 G107 W108 V109 L134 | A54-V105 HydrophobicContact CB-CG1 4.43Å; M57-V105 HydrophobicContact CB-CG2 4.27Å; L61-V105 HydrophobicContact CD2-CG2 4.33Å; P101-V105 WeakPolarHBondContact O-CB 3.44Å; P101-V105 VanDerWaalsContact O-CG2 3.26Å; P101-V105 WeakPolarHBondContact O-CG2 3.46Å; P101-V105 PolarHBondContact O-N 3.14Å; F102-V105 PolarHBondContact O-N 3.03Å; V105-G107 VanDerWaalsContact C-N 3.35Å; V105-G107 PolarHBondContact O-N 3.44Å; V105-W108 WeakPolarHBondContact O-CB 3.42Å; V105-W108 PolarHBondContact O-N 3.45Å; V105-V109 HydrophobicContact CG1-CG2 4.26Å; V105-V109 VanDerWaalsContact O-CG2 3.32Å; V105-V109 WeakPolarHBondContact O-CG2 3.36Å; V105-V109 PolarHBondContact O-N 3.18Å; V105-L134 HydrophobicContact CG2-CD2 3.92Å |
| 106 | L | 94.6 | Very high | 91.9 | Very high | 78 Ų | 78 | 53.6 Ų | 53.6 | 41% | 0.408 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.9 | -46.2 | 176.1 | -178.4 | 61.5 | 0 | 0 | 0 | 110.8 | F102 V103 W108 V109 L110 | F102-L106 HydrophobicContact CE1-CD2 3.98Å; F102-L106 HydrophobicContact CZ-CD2 4.34Å; F102-L106 WeakPolarHBondContact O-CB 3.48Å; F102-L106 PolarHBondContact O-N 3.43Å; V103-L106 PolarHBondContact O-N 3.19Å; L106-W108 VanDerWaalsContact C-N 3.28Å; L106-W108 PolarHBondContact O-N 3.15Å; L106-V109 PolarHBondContact O-N 3.11Å; L106-L110 HydrophobicContact CD1-CD1 4.38Å; L106-L110 HydrophobicContact CD1-CG 4.35Å; L106-L110 HydrophobicContact CG-CD1 4.13Å; L106-L110 WeakPolarHBondContact O-CB 2.79Å; L106-L110 VanDerWaalsContact O-CG 3.24Å; L106-L110 WeakPolarHBondContact O-CG 3.36Å; L106-L110 PolarHBondContact O-N 3.33Å |
| 107 | G | 94 | Very high | 91.5 | Very high | 28 Ų | 28 | 57.1 Ų | 57.1 | 29% | 0.289 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -58.9 | -39.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | V103 F104 V105 A111 | V103-G107 PolarHBondContact O-N 3.4Å; F104-G107 PolarHBondContact O-N 3Å; V105-G107 VanDerWaalsContact C-N 3.35Å; V105-G107 PolarHBondContact O-N 3.44Å; G107-A111 VanDerWaalsContact O-CB 3.28Å; G107-A111 WeakPolarHBondContact O-CB 3.47Å; G107-A111 PolarHBondContact O-N 3.46Å |
| 108 | W | 93.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -67.5 | -44.6 | 176.3 | 177.2 | 78.8 | 0 | 0 | 0 | 112.7 | L53 M57 F104 V105 L106 A111 L112 W122 T130 L133 L134 | L53-W108 HydrophobicContact CD2-CH2 4.27Å; L53-W108 HydrophobicContact CG-CH2 4.35Å; M57-W108 HydrophobicContact CG-CH2 4.18Å; M57-W108 HydrophobicContact CG-CZ3 4.15Å; F104-W108 WeakPolarHBondContact O-CB 3.4Å; F104-W108 PolarHBondContact O-N 2.88Å; V105-W108 WeakPolarHBondContact O-CB 3.42Å; V105-W108 PolarHBondContact O-N 3.45Å; L106-W108 VanDerWaalsContact C-N 3.28Å; L106-W108 PolarHBondContact O-N 3.15Å; W108-A111 PolarHBondContact O-N 3.46Å; W108-L112 HydrophobicContact CD2-CD1 3.63Å; W108-L112 HydrophobicContact CE3-CD1 3.79Å; W108-L112 HydrophobicContact CG-CD1 4.41Å; W108-L112 HydrophobicContact CH2-CD1 3.55Å; W108-L112 HydrophobicContact CZ2-CD1 3.39Å; W108-L112 HydrophobicContact CZ3-CD1 3.74Å; W108-L112 WeakPolarHBondContact O-CG 2.99Å; W108-L112 PolarHBondContact O-N 3.46Å; W108-W122 HydrophobicContact CH2-CE3 4.04Å; W108-W122 AromaticContact CZ3-CE3 3.87Å; W108-W122 HydrophobicContact CZ3-CE3 3.87Å; W108-W122 AromaticContact CZ3-CZ3 3.97Å; W108-W122 HydrophobicContact CZ3-CZ3 3.97Å; W108-T130 VanDerWaalsContact CD1-O 3.31Å; W108-L133 HydrophobicContact CB-CD2 4.16Å; W108-L134 HydrophobicContact CB-CD1 4.12Å; W108-L134 HydrophobicContact CB-CD2 4.06Å; W108-L134 HydrophobicContact CB-CG 3.94Å; W108-L134 HydrophobicContact CD2-CD1 3.51Å; W108-L134 HydrophobicContact CD2-CG 4.27Å; W108-L134 HydrophobicContact CE3-CD1 4Å; W108-L134 HydrophobicContact CG-CD1 3.57Å; W108-L134 HydrophobicContact CG-CD2 4.4Å; W108-L134 HydrophobicContact CG-CG 3.78Å; W108-L134 HydrophobicContact CZ2-CD1 4.36Å |
| 109 | V | 92.6 | Very high | 90.4 | Very high | 28 Ų | 28 | 58.6 Ų | 58.6 | 17% | 0.17 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.8 | -47.4 | 175.1 | 167.2 | 0 | 0 | 0 | 0 | 110.6 | A54 V105 L106 A111 L112 E113 W122 | A54-V109 HydrophobicContact CB-CG2 4.06Å; V105-V109 HydrophobicContact CG1-CG2 4.26Å; V105-V109 VanDerWaalsContact O-CG2 3.32Å; V105-V109 WeakPolarHBondContact O-CG2 3.36Å; V105-V109 PolarHBondContact O-N 3.18Å; L106-V109 PolarHBondContact O-N 3.11Å; V109-A111 VanDerWaalsContact C-N 3.34Å; V109-A111 PolarHBondContact O-N 3.32Å; V109-L112 WeakPolarHBondContact O-CB 3.4Å; V109-L112 PolarHBondContact O-N 2.79Å; V109-L112 VanDerWaalsContact O-N 3.13Å; V109-E113 PolarHBondContact O-N 3.33Å; V109-W122 HydrophobicContact CB-CH2 4.08Å; V109-W122 HydrophobicContact CB-CZ2 4.49Å; V109-W122 HydrophobicContact CG1-CH2 3.58Å; V109-W122 HydrophobicContact CG1-CZ2 3.76Å; V109-W122 HydrophobicContact CG2-CH2 3.6Å; V109-W122 HydrophobicContact CG2-CZ2 4.44Å; V109-W122 HydrophobicContact CG2-CZ3 3.88Å |
| 110 | L | 92.5 | Very high | 89.8 | Confident | 94 Ų | 94 | 65.5 Ų | 65.5 | 49% | 0.492 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.4 | -43 | 176.6 | -68.4 | 172.9 | 0 | 0 | 0 | 111.2 | L106 L112 E113 L114 | L106-L110 HydrophobicContact CD1-CD1 4.38Å; L106-L110 HydrophobicContact CD1-CG 4.35Å; L106-L110 HydrophobicContact CG-CD1 4.13Å; L106-L110 WeakPolarHBondContact O-CB 2.79Å; L106-L110 VanDerWaalsContact O-CG 3.24Å; L106-L110 WeakPolarHBondContact O-CG 3.36Å; L106-L110 PolarHBondContact O-N 3.33Å; L110-L112 PolarHBondContact O-N 3.31Å; L110-E113 PolarHBondContact O-N 3.16Å; L110-L114 WeakPolarHBondContact O-CB 3.27Å; L110-L114 WeakPolarHBondContact O-CG 3.49Å; L110-L114 PolarHBondContact O-N 3.06Å |
| 111 | A | 90.9 | Very high | 89.2 | Confident | 33 Ų | 33 | 62.6 Ų | 62.6 | 27% | 0.273 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.5 | -23.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113.6 | G107 W108 V109 Q115 T130 | G107-A111 VanDerWaalsContact O-CB 3.28Å; G107-A111 WeakPolarHBondContact O-CB 3.47Å; G107-A111 PolarHBondContact O-N 3.46Å; W108-A111 PolarHBondContact O-N 3.46Å; V109-A111 VanDerWaalsContact C-N 3.34Å; V109-A111 PolarHBondContact O-N 3.32Å; A111-Q115 WeakPolarHBondContact O-CG 3.24Å; A111-Q115 PolarHBondContact O-NE2 3.4Å; A111-T130 HydrophobicContact CB-CG2 3.84Å |
| 112 | L | 89.5 | Confident | 88.6 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -82.7 | -41.9 | 173.8 | -73.3 | 167.5 | 0 | 0 | 0 | 112.3 | W108 V109 L110 L114 Q115 W122 | W108-L112 HydrophobicContact CD2-CD1 3.63Å; W108-L112 HydrophobicContact CE3-CD1 3.79Å; W108-L112 HydrophobicContact CG-CD1 4.41Å; W108-L112 HydrophobicContact CH2-CD1 3.55Å; W108-L112 HydrophobicContact CZ2-CD1 3.39Å; W108-L112 HydrophobicContact CZ3-CD1 3.74Å; W108-L112 WeakPolarHBondContact O-CG 2.99Å; W108-L112 PolarHBondContact O-N 3.46Å; V109-L112 WeakPolarHBondContact O-CB 3.4Å; V109-L112 PolarHBondContact O-N 2.79Å; V109-L112 VanDerWaalsContact O-N 3.13Å; L110-L112 PolarHBondContact O-N 3.31Å; L112-L114 VanDerWaalsContact C-N 3.29Å; L112-L114 PolarHBondContact O-N 3.48Å; L112-Q115 WeakPolarHBondContact O-CB 3.33Å; L112-Q115 WeakPolarHBondContact O-CG 3.49Å; L112-Q115 PolarHBondContact O-N 3.46Å; L112-W122 HydrophobicContact CB-CD2 4.36Å; L112-W122 HydrophobicContact CB-CG 4.19Å; L112-W122 HydrophobicContact CD1-CB 3.96Å; L112-W122 HydrophobicContact CD1-CD2 3.7Å; L112-W122 HydrophobicContact CD1-CE3 3.96Å; L112-W122 HydrophobicContact CD1-CG 3.72Å; L112-W122 HydrophobicContact CD2-CB 4.49Å; L112-W122 HydrophobicContact CG-CG 4.41Å |
| 113 | E | 88.6 | Confident | 87.7 | Confident | 82 Ų | 82 | 61.2 Ų | 61.2 | 38% | 0.383 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -71.5 | -23.6 | 178.8 | -69.1 | -62.1 | 150.6 | 0 | 0 | 113 | K50 V109 L110 Q115 W122 | K50-E113 WeakPolarHBondContact CE-OE1 3.21Å; K50-E113 IonicContact NZ-OE1 2.72Å; K50-E113 PolarHBondContact NZ-OE1 3.38Å; K50-E113 IonicContact NZ-OE2 3.52Å; V109-E113 PolarHBondContact O-N 3.33Å; L110-E113 PolarHBondContact O-N 3.16Å; E113-Q115 VanDerWaalsContact C-N 3.26Å; E113-Q115 PolarHBondContact O-N 2.93Å; E113-W122 HydrophobicContact CG-CZ2 4.13Å; E113-W122 VanDerWaalsContact OE1-CE2 3.26Å; E113-W122 WeakPolarHBondContact OE1-CZ2 3.49Å; E113-W122 PolarHBondContact OE1-NE1 3.23Å |
| 114 | L | 88.4 | Confident | 86.7 | Confident | 148 Ų | 148 | 60.9 Ų | 60.9 | 78% | 0.775 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | 0.5 | 175 | -67.8 | 172.4 | 0 | 0 | 0 | 113.7 | L110 L112 | L110-L114 WeakPolarHBondContact O-CB 3.27Å; L110-L114 WeakPolarHBondContact O-CG 3.49Å; L110-L114 PolarHBondContact O-N 3.06Å; L112-L114 VanDerWaalsContact C-N 3.29Å; L112-L114 PolarHBondContact O-N 3.48Å |
| 115 | Q | 84.3 | Confident | 85.5 | Confident | 52 Ų | 52 | 61.1 Ų | 61.1 | 24% | 0.243 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -74.9 | 147.6 | 177.3 | -61.8 | -175.4 | 6.5 | 0 | 0 | 111.3 | A111 L112 E113 V117 | A111-Q115 WeakPolarHBondContact O-CG 3.24Å; A111-Q115 PolarHBondContact O-NE2 3.4Å; L112-Q115 WeakPolarHBondContact O-CB 3.33Å; L112-Q115 WeakPolarHBondContact O-CG 3.49Å; L112-Q115 PolarHBondContact O-N 3.46Å; E113-Q115 VanDerWaalsContact C-N 3.26Å; E113-Q115 PolarHBondContact O-N 2.93Å; Q115-V117 PolarHBondContact O-N 3.14Å |
| 116 | A | 78.8 | Confident | 84.2 | Confident | 112 Ų | 112 | 65.3 Ų | 65.3 | 93% | 0.926 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -60.4 | -29.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 117 | V | 82.2 | Confident | 82.9 | Confident | 117 Ų | 117 | 67.4 Ų | 67.4 | 71% | 0.709 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -130.1 | 113.4 | 175.1 | -178.8 | 0 | 0 | 0 | 0 | 107.7 | Q115 P119 | Q115-V117 PolarHBondContact O-N 3.14Å; V117-P119 WeakPolarHBondContact O-CD 3.38Å |
| 118 | V | 83.9 | Confident | 81.9 | Confident | 50 Ų | 50 | 68 Ų | 68 | 30% | 0.303 | 38% | 0.377 | S | S | . | . | trans | -94.1 | 108.5 | 177.6 | -176 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 119 | P | 81.6 | Confident | 81.4 | Confident | 36 Ų | 36 | 77.1 Ų | 77.1 | 23% | 0.234 | 42% | 0.417 | C | S | . | . | trans | -71.6 | 157.4 | -178.9 | 27.6 | -30.5 | 0 | 0 | 0 | 111.3 | V117 C121 W122 L123 | V117-P119 WeakPolarHBondContact O-CD 3.38Å; P119-C121 PolarHBondContact O-N 3.1Å; P119-W122 PolarHBondContact O-N 3.02Å; P119-L123 WeakPolarHBondContact CB-O 3.47Å | ||
| 120 | R | 80.5 | Confident | 81 | Confident | 173 Ų | 173 | 77.2 Ų | 77.2 | 65% | 0.653 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -56.4 | 125.1 | 178.2 | -174.8 | 170.5 | -67.2 | -168 | 6.6 | 109.9 | D46 W122 L123 | D46-R120 WeakPolarHBondContact OD1-CD 3.37Å; D46-R120 WeakPolarHBondContact OD1-CG 3.32Å; D46-R120 IonicContact OD1-CZ 3.9Å; D46-R120 IonicContact OD1-NE 3.82Å; D46-R120 PolarHBondContact OD1-NE 3.09Å; D46-R120 IonicContact OD2-NE 3Å; R120-W122 PolarHBondContact O-N 3.08Å; R120-W122 VanDerWaalsContact O-N 3.11Å; R120-L123 PolarHBondContact O-N 3.02Å; R120-L123 VanDerWaalsContact O-N 3.11Å |
| 121 | C | 81.5 | Confident | 80.6 | Confident | 6 Ų | 6 | 73.1 Ų | 73.1 | 4% | 0.041 | 40% | 0.396 | C | S | . | . | G | 310 helix | trans | 56.3 | 20.6 | -176.3 | -165.1 | 0 | 0 | 0 | 0 | 115.6 | C49 L53 P119 L123 | C49-C121 HydrophobicContact CB-CB 3.67Å; C49-C121 WeakPolarHBondContact CB-SG 3.4Å; C49-C121 PolarHBondContact O-SG 3.43Å; C49-C121 WeakPolarHBondContact SG-CB 3.25Å; C49-C121 CovalentContact SG-SG 2.02Å; C49-C121 PolarHBondContact SG-SG 3.31Å; L53-C121 VanDerWaalsContact CD2-O 3.26Å; L53-C121 WeakPolarHBondContact CD2-O 3.49Å; P119-C121 PolarHBondContact O-N 3.1Å; C121-L123 HydrophobicContact CB-CD1 4.02Å; C121-L123 WeakPolarHBondContact O-CD1 3.23Å; C121-L123 PolarHBondContact O-N 2.99Å |
| 122 | W | 82.7 | Confident | 80.4 | Confident | 8 Ų | 8 | 79.7 Ų | 79.7 | 3% | 0.03 | 41% | 0.414 | C | S | . | . | G | 310 helix | trans | 59 | 17.8 | -171.5 | -51.3 | -44.9 | 0 | 0 | 0 | 114.6 | K50 L53 A54 W108 V109 L112 E113 P119 R120 P124 Y125 | K50-W122 HydrophobicContact CB-CD2 4.48Å; K50-W122 HydrophobicContact CB-CE3 4.35Å; K50-W122 HydrophobicContact CB-CH2 3.9Å; K50-W122 HydrophobicContact CB-CZ2 4.06Å; K50-W122 HydrophobicContact CB-CZ3 4.06Å; K50-W122 HydrophobicContact CD-CD2 4.44Å; K50-W122 HydrophobicContact CD-CZ2 3.88Å; K50-W122 HydrophobicContact CG-CD2 4.03Å; K50-W122 HydrophobicContact CG-CE3 4.35Å; K50-W122 HydrophobicContact CG-CH2 4.35Å; K50-W122 HydrophobicContact CG-CZ2 4.06Å; K50-W122 HydrophobicContact CG-CZ3 4.49Å; K50-W122 WeakPolarHBondContact O-CZ3 3.44Å; L53-W122 HydrophobicContact CD2-CB 4.39Å; L53-W122 HydrophobicContact CD2-CE3 4.09Å; A54-W122 HydrophobicContact CB-CZ3 4.17Å; W108-W122 HydrophobicContact CH2-CE3 4.04Å; W108-W122 AromaticContact CZ3-CE3 3.87Å; W108-W122 HydrophobicContact CZ3-CE3 3.87Å; W108-W122 AromaticContact CZ3-CZ3 3.97Å; W108-W122 HydrophobicContact CZ3-CZ3 3.97Å; V109-W122 HydrophobicContact CB-CH2 4.08Å; V109-W122 HydrophobicContact CB-CZ2 4.49Å; V109-W122 HydrophobicContact CG1-CH2 3.58Å; V109-W122 HydrophobicContact CG1-CZ2 3.76Å; V109-W122 HydrophobicContact CG2-CH2 3.6Å; V109-W122 HydrophobicContact CG2-CZ2 4.44Å; V109-W122 HydrophobicContact CG2-CZ3 3.88Å; L112-W122 HydrophobicContact CB-CD2 4.36Å; L112-W122 HydrophobicContact CB-CG 4.19Å; L112-W122 HydrophobicContact CD1-CB 3.96Å; L112-W122 HydrophobicContact CD1-CD2 3.7Å; L112-W122 HydrophobicContact CD1-CE3 3.96Å; L112-W122 HydrophobicContact CD1-CG 3.72Å; L112-W122 HydrophobicContact CD2-CB 4.49Å; L112-W122 HydrophobicContact CG-CG 4.41Å; E113-W122 HydrophobicContact CG-CZ2 4.13Å; E113-W122 VanDerWaalsContact OE1-CE2 3.26Å; E113-W122 WeakPolarHBondContact OE1-CZ2 3.49Å; E113-W122 PolarHBondContact OE1-NE1 3.23Å; P119-W122 PolarHBondContact O-N 3.02Å; R120-W122 PolarHBondContact O-N 3.08Å; R120-W122 VanDerWaalsContact O-N 3.11Å; W122-P124 CarbonylContact O-C 3.41Å; W122-Y125 WeakPolarHBondContact O-CA 3.42Å; W122-Y125 WeakPolarHBondContact O-CB 3.46Å; W122-Y125 PolarHBondContact O-N 3.32Å; W122-Y125 VanDerWaalsContact O-N 3.09Å |
| 123 | L | 77 | Confident | 80.3 | Confident | 80 Ų | 80 | 83.2 Ų | 83.2 | 42% | 0.419 | 43% | 0.432 | S | S | . | . | trans | -91.5 | 137 | 177.5 | -90.6 | 71.3 | 0 | 0 | 0 | 111.2 | L53 P119 R120 C121 Y125 | L53-L123 HydrophobicContact CD2-CD1 4.01Å; P119-L123 WeakPolarHBondContact CB-O 3.47Å; R120-L123 PolarHBondContact O-N 3.02Å; R120-L123 VanDerWaalsContact O-N 3.11Å; C121-L123 HydrophobicContact CB-CD1 4.02Å; C121-L123 WeakPolarHBondContact O-CD1 3.23Å; C121-L123 PolarHBondContact O-N 2.99Å; L123-Y125 HydrophobicContact CD1-CD1 4.14Å; L123-Y125 HydrophobicContact CD1-CE1 4.45Å; L123-Y125 HydrophobicContact CG-CD1 4.33Å | ||
| 124 | P | 73.5 | Confident | 80.4 | Confident | 84 Ų | 84 | 79.7 Ų | 79.7 | 55% | 0.545 | 42% | 0.416 | S | S | . | . | S | Bend | cis | -80.1 | 123.3 | -4.6 | 31.4 | -32.5 | 0 | 0 | 0 | 111.8 | W122 | W122-P124 CarbonylContact O-C 3.41Š|
| 125 | Y | 70.9 | Confident | 80.2 | Confident | 63 Ų | 63 | 74.1 Ų | 74.1 | 25% | 0.247 | 39% | 0.387 | C | S | . | . | trans | -80.6 | -17.6 | 176.8 | 58.4 | -94.3 | 0 | 0 | 0 | 112.9 | L53 M57 W122 L123 N127 N128 | L53-Y125 HydrophobicContact CD1-CE1 4.3Å; L53-Y125 HydrophobicContact CD2-CD1 4.21Å; M57-Y125 HydrophobicContact CE-CD2 4.02Å; M57-Y125 HydrophobicContact CE-CE1 4.46Å; M57-Y125 HydrophobicContact CE-CE2 3.7Å; W122-Y125 WeakPolarHBondContact O-CA 3.42Å; W122-Y125 WeakPolarHBondContact O-CB 3.46Å; W122-Y125 PolarHBondContact O-N 3.32Å; W122-Y125 VanDerWaalsContact O-N 3.09Å; L123-Y125 HydrophobicContact CD1-CD1 4.14Å; L123-Y125 HydrophobicContact CD1-CE1 4.45Å; L123-Y125 HydrophobicContact CG-CD1 4.33Å; Y125-N127 PolarHBondContact O-N 2.93Å; Y125-N128 PolarHBondContact O-N 3.47Å | ||
| 126 | T | 66.5 | Low | 80.4 | Confident | 98 Ų | 98 | 74.3 Ų | 74.3 | 60% | 0.601 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -33.5 | -174.6 | 48.1 | 0 | 0 | 0 | 0 | 113.4 | N128 | T126-N128 VanDerWaalsContact C-N 3.34Š|
| 127 | N | 66.9 | Low | 81 | Confident | 123 Ų | 123 | 69.6 Ų | 69.6 | 66% | 0.658 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -8.1 | -179 | -160.9 | 29 | 0 | 0 | 0 | 113 | Y125 | Y125-N127 PolarHBondContact O-N 2.93Š|
| 128 | N | 74.6 | Confident | 81.2 | Confident | 40 Ų | 40 | 64.5 Ų | 64.5 | 21% | 0.214 | 32% | 0.322 | C | S | . | . | trans | -80.5 | 127.2 | -178.3 | -79 | -16.2 | 0 | 0 | 0 | 110.7 | Y125 T126 T130 M131 | Y125-N128 PolarHBondContact O-N 3.47Å; T126-N128 VanDerWaalsContact C-N 3.34Å; N128-T130 PolarHBondContact O-N 3.29Å; N128-M131 WeakPolarHBondContact O-CB 3.45Å; N128-M131 PolarHBondContact O-N 3.24Å | ||
| 129 | K | 81.7 | Confident | 81.3 | Confident | 192 Ų | 192 | 64.3 Ų | 64.3 | 84% | 0.835 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -55.1 | -25.9 | 174.7 | -65.6 | -174.6 | -179.2 | 179.3 | 0 | 112.5 | M131 W132 | K129-M131 PolarHBondContact O-N 2.94Å; K129-W132 WeakPolarHBondContact O-CB 3.19Å; K129-W132 PolarHBondContact O-N 3.37Å |
| 130 | T | 83.7 | Confident | 81.7 | Confident | 29 Ų | 29 | 67.5 Ų | 67.5 | 18% | 0.178 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -61.2 | -26.3 | 176.4 | 53.7 | 0 | 0 | 0 | 0 | 113 | W108 A111 N128 W132 L133 | W108-T130 VanDerWaalsContact CD1-O 3.31Å; A111-T130 HydrophobicContact CB-CG2 3.84Å; N128-T130 PolarHBondContact O-N 3.29Å; T130-W132 PolarHBondContact O-N 3.36Å; T130-L133 WeakPolarHBondContact O-CB 3.27Å; T130-L133 PolarHBondContact O-N 3.25Å |
| 131 | M | 84.6 | Confident | 82.1 | Confident | 9 Ų | 9 | 59.5 Ų | 59.5 | 4% | 0.044 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -62.9 | -24.7 | 177.7 | -178.8 | 41.4 | -179.3 | 0 | 0 | 113 | N128 K129 L133 L134 I135 F193 | N128-M131 WeakPolarHBondContact O-CB 3.45Å; N128-M131 PolarHBondContact O-N 3.24Å; K129-M131 PolarHBondContact O-N 2.94Å; M131-L133 PolarHBondContact O-N 3.31Å; M131-L134 HydrophobicContact CE-CB 4.29Å; M131-L134 PolarHBondContact O-N 2.84Å; M131-L134 HydrophobicContact SD-CB 3.8Å; M131-L134 HydrophobicContact SD-CD1 4Å; M131-L134 HydrophobicContact SD-CG 4.35Å; M131-I135 HydrophobicContact CE-CD1 4.03Å; M131-I135 HydrophobicContact CE-CG1 3.51Å; M131-I135 HydrophobicContact CG-CD1 3.68Å; M131-I135 HydrophobicContact CG-CG1 3.96Å; M131-I135 PolarHBondContact O-N 3.46Å; M131-I135 HydrophobicContact SD-CD1 4.42Å; M131-I135 HydrophobicContact SD-CG1 4.05Å; M131-F193 HydrophobicContact CE-CB 4.4Å; M131-F193 HydrophobicContact CE-CD1 3.39Å; M131-F193 HydrophobicContact CE-CE1 3.85Å; M131-F193 HydrophobicContact CE-CG 4.04Å |
| 132 | W | 86.2 | Confident | 82.2 | Confident | 171 Ų | 171 | 60 Ų | 60 | 65% | 0.648 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -56.5 | -25.8 | 171.8 | -83.8 | 92.8 | 0 | 0 | 0 | 113.5 | K129 T130 L134 S136 | K129-W132 WeakPolarHBondContact O-CB 3.19Å; K129-W132 PolarHBondContact O-N 3.37Å; T130-W132 PolarHBondContact O-N 3.36Å; W132-L134 VanDerWaalsContact C-N 3.26Å; W132-L134 PolarHBondContact O-N 3.49Å; W132-S136 WeakPolarHBondContact O-CB 3.45Å; W132-S136 PolarHBondContact O-N 3.39Å |
| 133 | L | 89.3 | Confident | 82.3 | Confident | 74 Ų | 74 | 61.6 Ų | 61.6 | 39% | 0.387 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.9 | -30.6 | 176.6 | -168.9 | 63.5 | 0 | 0 | 0 | 112.8 | W108 T130 M131 P137 | W108-L133 HydrophobicContact CB-CD2 4.16Å; T130-L133 WeakPolarHBondContact O-CB 3.27Å; T130-L133 PolarHBondContact O-N 3.25Å; M131-L133 PolarHBondContact O-N 3.31Å; L133-P137 WeakPolarHBondContact O-CD 3.46Å; L133-P137 VanDerWaalsContact O-CG 3.23Å; L133-P137 WeakPolarHBondContact O-CG 3.44Å |
| 134 | L | 89.1 | Confident | 82.9 | Confident | 9 Ų | 9 | 60.8 Ų | 60.8 | 5% | 0.047 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -93.4 | -39.6 | 175.6 | -63.6 | 177.1 | 0 | 0 | 0 | 111.9 | M57 L61 F104 V105 W108 M131 W132 S136 P137 M138 | M57-L134 HydrophobicContact CB-CD1 4.13Å; M57-L134 HydrophobicContact CG-CD1 4.14Å; M57-L134 HydrophobicContact SD-CD1 4.49Å; L61-L134 HydrophobicContact CD2-CD2 4.09Å; F104-L134 HydrophobicContact CB-CD2 4.17Å; V105-L134 HydrophobicContact CG2-CD2 3.92Å; W108-L134 HydrophobicContact CB-CD1 4.12Å; W108-L134 HydrophobicContact CB-CD2 4.06Å; W108-L134 HydrophobicContact CB-CG 3.94Å; W108-L134 HydrophobicContact CD2-CD1 3.51Å; W108-L134 HydrophobicContact CD2-CG 4.27Å; W108-L134 HydrophobicContact CE3-CD1 4Å; W108-L134 HydrophobicContact CG-CD1 3.57Å; W108-L134 HydrophobicContact CG-CD2 4.4Å; W108-L134 HydrophobicContact CG-CG 3.78Å; W108-L134 HydrophobicContact CZ2-CD1 4.36Å; M131-L134 HydrophobicContact CE-CB 4.29Å; M131-L134 PolarHBondContact O-N 2.84Å; M131-L134 HydrophobicContact SD-CB 3.8Å; M131-L134 HydrophobicContact SD-CD1 4Å; M131-L134 HydrophobicContact SD-CG 4.35Å; W132-L134 VanDerWaalsContact C-N 3.26Å; W132-L134 PolarHBondContact O-N 3.49Å; L134-S136 PolarHBondContact O-N 2.95Å; L134-P137 WeakPolarHBondContact O-CD 3.27Å; L134-P137 WeakPolarHBondContact O-CG 3.35Å; L134-M138 VanDerWaalsContact O-CB 3.27Å; L134-M138 WeakPolarHBondContact O-CB 3.37Å; L134-M138 PolarHBondContact O-N 3.2Å |
| 135 | I | 85.7 | Confident | 83.4 | Confident | 31 Ų | 31 | 57.3 Ų | 57.3 | 16% | 0.159 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.7 | -42.4 | -178.9 | -67.1 | 176.4 | 0 | 0 | 0 | 111.5 | M131 M138 S139 | M131-I135 HydrophobicContact CE-CD1 4.03Å; M131-I135 HydrophobicContact CE-CG1 3.51Å; M131-I135 HydrophobicContact CG-CD1 3.68Å; M131-I135 HydrophobicContact CG-CG1 3.96Å; M131-I135 PolarHBondContact O-N 3.46Å; M131-I135 HydrophobicContact SD-CD1 4.42Å; M131-I135 HydrophobicContact SD-CG1 4.05Å; I135-M138 PolarHBondContact O-N 3.3Å; I135-S139 VanDerWaalsContact O-CB 3.27Å; I135-S139 WeakPolarHBondContact O-CB 3.33Å; I135-S139 PolarHBondContact O-N 3.3Å; I135-S139 PolarHBondContact O-OG 3.26Å |
| 136 | S | 87.9 | Confident | 83.8 | Confident | 55 Ų | 55 | 59.5 Ų | 59.5 | 39% | 0.385 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.6 | -59.6 | -177.3 | 175.3 | 0 | 0 | 0 | 0 | 113 | W132 L134 M138 S139 I140 | W132-S136 WeakPolarHBondContact O-CB 3.45Å; W132-S136 PolarHBondContact O-N 3.39Å; L134-S136 PolarHBondContact O-N 2.95Å; S136-M138 VanDerWaalsContact C-N 3.27Å; S136-M138 PolarHBondContact O-N 3.48Å; S136-S139 PolarHBondContact O-N 3.45Å; S136-I140 WeakPolarHBondContact O-CG1 3.06Å; S136-I140 PolarHBondContact O-N 2.99Å |
| 137 | P | 90.8 | Very high | 84.8 | Confident | 14 Ų | 14 | 59 Ų | 59 | 9% | 0.091 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.7 | -35.5 | 179.7 | 24.4 | -34.4 | 0 | 0 | 0 | 112.3 | F65 F104 L133 L134 A141 | F65-P137 HydrophobicContact CE2-CB 4.39Å; F65-P137 HydrophobicContact CZ-CB 4.19Å; F104-P137 HydrophobicContact CD1-CB 4.37Å; F104-P137 HydrophobicContact CD1-CG 3.86Å; F104-P137 HydrophobicContact CD2-CB 4.23Å; F104-P137 HydrophobicContact CD2-CG 4.26Å; F104-P137 HydrophobicContact CE1-CB 4.02Å; F104-P137 HydrophobicContact CE1-CG 3.92Å; F104-P137 HydrophobicContact CE2-CB 3.88Å; F104-P137 HydrophobicContact CE2-CG 4.33Å; F104-P137 HydrophobicContact CG-CB 4.49Å; F104-P137 HydrophobicContact CG-CG 4.06Å; F104-P137 HydrophobicContact CZ-CB 3.77Å; F104-P137 HydrophobicContact CZ-CG 4.17Å; L133-P137 WeakPolarHBondContact O-CD 3.46Å; L133-P137 VanDerWaalsContact O-CG 3.23Å; L133-P137 WeakPolarHBondContact O-CG 3.44Å; L134-P137 WeakPolarHBondContact O-CD 3.27Å; L134-P137 WeakPolarHBondContact O-CG 3.35Å; P137-A141 VanDerWaalsContact O-CB 3.31Å; P137-A141 WeakPolarHBondContact O-CB 2.86Å; P137-A141 PolarHBondContact O-N 3.02Å |
| 138 | M | 87.7 | Confident | 85.6 | Confident | 9 Ų | 9 | 54.7 Ų | 54.7 | 4% | 0.044 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.3 | -45.2 | 177.1 | -173.6 | -176.8 | 173.8 | 0 | 0 | 112.2 | T60 L61 V64 L134 I135 S136 A141 L142 N189 F193 | T60-M138 HydrophobicContact CG2-CE 4.28Å; L61-M138 HydrophobicContact CD1-CB 3.92Å; L61-M138 HydrophobicContact CD1-CG 4.45Å; V64-M138 HydrophobicContact CG1-CG 4.18Å; V64-M138 HydrophobicContact CG2-CE 3.9Å; V64-M138 HydrophobicContact CG2-CG 4.18Å; L134-M138 VanDerWaalsContact O-CB 3.27Å; L134-M138 WeakPolarHBondContact O-CB 3.37Å; L134-M138 PolarHBondContact O-N 3.2Å; I135-M138 PolarHBondContact O-N 3.3Å; S136-M138 VanDerWaalsContact C-N 3.27Å; S136-M138 PolarHBondContact O-N 3.48Å; M138-A141 PolarHBondContact O-N 2.87Å; M138-L142 WeakPolarHBondContact O-CB 3.29Å; M138-L142 PolarHBondContact O-N 3Å; M138-N189 HydrophobicContact CE-CB 3.27Å; M138-F193 HydrophobicContact CE-CD2 3.68Å; M138-F193 HydrophobicContact CE-CE2 3.59Å; M138-F193 HydrophobicContact SD-CD2 3.63Å; M138-F193 HydrophobicContact SD-CE2 3.64Å |
| 139 | S | 85.2 | Confident | 85.9 | Confident | 46 Ų | 46 | 53.8 Ų | 53.8 | 32% | 0.322 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65.4 | -41.6 | 179.4 | -59.1 | 0 | 0 | 0 | 0 | 111.6 | I135 S136 L142 G143 | I135-S139 VanDerWaalsContact O-CB 3.27Å; I135-S139 WeakPolarHBondContact O-CB 3.33Å; I135-S139 PolarHBondContact O-N 3.3Å; I135-S139 PolarHBondContact O-OG 3.26Å; S136-S139 PolarHBondContact O-N 3.45Å; S139-L142 PolarHBondContact O-N 3.44Å; S139-G143 PolarHBondContact O-N 2.88Å |
| 140 | I | 90.3 | Very high | 86 | Confident | 103 Ų | 103 | 48 Ų | 48 | 53% | 0.528 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.5 | -50.7 | 175.8 | -66.3 | 165.8 | 0 | 0 | 0 | 110.4 | S136 L142 G143 L144 | S136-I140 WeakPolarHBondContact O-CG1 3.06Å; S136-I140 PolarHBondContact O-N 2.99Å; I140-L142 VanDerWaalsContact C-N 3.28Å; I140-L142 PolarHBondContact O-N 2.87Å; I140-G143 PolarHBondContact O-N 2.86Å; I140-L144 HydrophobicContact CG2-CD1 3.96Å; I140-L144 HydrophobicContact CG2-CG 4.46Å; I140-L144 WeakPolarHBondContact O-CG 3.21Å; I140-L144 PolarHBondContact O-N 2.97Å |
| 141 | A | 89.3 | Confident | 86 | Confident | 6 Ų | 6 | 49.6 Ų | 49.6 | 5% | 0.05 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.5 | -40 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V64 F68 P137 M138 N145 | V64-A141 HydrophobicContact CG1-CB 3.84Å; F68-A141 HydrophobicContact CB-CB 4.21Å; F68-A141 HydrophobicContact CG-CB 4.48Å; P137-A141 VanDerWaalsContact O-CB 3.31Å; P137-A141 WeakPolarHBondContact O-CB 2.86Å; P137-A141 PolarHBondContact O-N 3.02Å; M138-A141 PolarHBondContact O-N 2.87Å; A141-N145 WeakPolarHBondContact O-CB 3.34Å; A141-N145 PolarHBondContact O-N 3.3Å |
| 142 | L | 83.3 | Confident | 85.9 | Confident | 15 Ų | 15 | 50.4 Ų | 50.4 | 8% | 0.079 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -69.6 | -41.8 | 177.6 | -175 | 64.3 | 0 | 0 | 0 | 112.7 | M138 S139 I140 L144 N145 F146 G186 L190 | M138-L142 WeakPolarHBondContact O-CB 3.29Å; M138-L142 PolarHBondContact O-N 3Å; S139-L142 PolarHBondContact O-N 3.44Å; I140-L142 VanDerWaalsContact C-N 3.28Å; I140-L142 PolarHBondContact O-N 2.87Å; L142-L144 VanDerWaalsContact C-N 3.35Å; L142-N145 WeakPolarHBondContact O-CB 3.43Å; L142-N145 PolarHBondContact O-N 3.22Å; L142-F146 PolarHBondContact O-N 3Å; L142-G186 VanDerWaalsContact CD1-CA 3.45Å; L142-G186 WeakPolarHBondContact CD2-O 3.47Å; L142-L190 HydrophobicContact CD2-CB 3.79Å; L142-L190 HydrophobicContact CD2-CD1 3.66Å; L142-L190 HydrophobicContact CD2-CG 4.31Å |
| 143 | G | 84.6 | Confident | 85.6 | Confident | 42 Ų | 42 | 44.4 Ų | 44.4 | 43% | 0.433 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.1 | -43.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S139 I140 F146 L147 | S139-G143 PolarHBondContact O-N 2.88Å; I140-G143 PolarHBondContact O-N 2.86Å; G143-F146 PolarHBondContact O-N 3.32Å; G143-L147 PolarHBondContact O-N 3.43Å |
| 144 | L | 88.8 | Confident | 85.4 | Confident | 63 Ų | 63 | 44.6 Ų | 44.6 | 33% | 0.33 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -64.6 | -41.4 | 174.2 | -68.7 | 173.5 | 0 | 0 | 0 | 111.9 | F68 I140 L142 F146 L147 F148 | F68-L144 HydrophobicContact CD2-CB 3.83Å; F68-L144 HydrophobicContact CD2-CD1 4.25Å; F68-L144 HydrophobicContact CE2-CB 3.72Å; F68-L144 HydrophobicContact CE2-CD1 3.54Å; F68-L144 HydrophobicContact CE2-CG 4.26Å; F68-L144 HydrophobicContact CZ-CD1 4.18Å; I140-L144 HydrophobicContact CG2-CD1 3.96Å; I140-L144 HydrophobicContact CG2-CG 4.46Å; I140-L144 WeakPolarHBondContact O-CG 3.21Å; I140-L144 PolarHBondContact O-N 2.97Å; L142-L144 VanDerWaalsContact C-N 3.35Å; L144-F146 VanDerWaalsContact C-N 3.31Å; L144-F146 PolarHBondContact O-N 3.01Å; L144-L147 WeakPolarHBondContact O-CB 3.16Å; L144-L147 PolarHBondContact O-N 3.36Å; L144-F148 HydrophobicContact CB-CE2 4.23Å; L144-F148 HydrophobicContact CB-CZ 4.34Å; L144-F148 VanDerWaalsContact O-CD2 3.31Å; L144-F148 WeakPolarHBondContact O-CD2 3.45Å; L144-F148 WeakPolarHBondContact O-CG 3.33Å; L144-F148 PolarHBondContact O-N 3.49Å |
| 145 | N | 84 | Confident | 85.2 | Confident | 12 Ų | 12 | 46.9 Ų | 46.9 | 6% | 0.064 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.5 | -41.4 | 175.8 | -170.4 | 25.8 | 0 | 0 | 0 | 111.8 | A141 L142 F148 L149 | A141-N145 WeakPolarHBondContact O-CB 3.34Å; A141-N145 PolarHBondContact O-N 3.3Å; L142-N145 WeakPolarHBondContact O-CB 3.43Å; L142-N145 PolarHBondContact O-N 3.22Å; N145-F148 PolarHBondContact O-N 3.12Å; N145-L149 WeakPolarHBondContact O-CB 3.21Å; N145-L149 PolarHBondContact O-N 2.99Å |
| 146 | F | 80.3 | Confident | 84.8 | Confident | 108 Ų | 108 | 48 Ų | 48 | 47% | 0.474 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.8 | -44.8 | 174.3 | -178.9 | -104.1 | 0 | 0 | 0 | 111.9 | L142 G143 L144 L149 L150 P183 | L142-F146 PolarHBondContact O-N 3Å; G143-F146 PolarHBondContact O-N 3.32Å; L144-F146 VanDerWaalsContact C-N 3.31Å; L144-F146 PolarHBondContact O-N 3.01Å; F146-L149 PolarHBondContact O-N 3.22Å; F146-L150 HydrophobicContact CD1-CD1 4.01Å; F146-L150 HydrophobicContact CD1-CG 4.49Å; F146-L150 HydrophobicContact CE1-CD1 3.49Å; F146-L150 VanDerWaalsContact CE1-CD1 3.49Å; F146-L150 HydrophobicContact CE1-CG 4.15Å; F146-L150 HydrophobicContact CZ-CD1 3.9Å; F146-L150 HydrophobicContact CZ-CD2 4.26Å; F146-L150 HydrophobicContact CZ-CG 4.2Å; F146-L150 WeakPolarHBondContact O-CG 3.08Å; F146-L150 PolarHBondContact O-N 3.13Å; F146-P183 HydrophobicContact CD2-CB 4.43Å |
| 147 | L | 86.7 | Confident | 84.4 | Confident | 88 Ų | 88 | 46.9 Ų | 46.9 | 46% | 0.461 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.8 | -46.2 | 176.1 | 179.8 | 63.3 | 0 | 0 | 0 | 112.1 | G143 L144 L149 L150 I151 | G143-L147 PolarHBondContact O-N 3.43Å; L144-L147 WeakPolarHBondContact O-CB 3.16Å; L144-L147 PolarHBondContact O-N 3.36Å; L147-L149 VanDerWaalsContact C-N 3.3Å; L147-L149 PolarHBondContact O-N 2.81Å; L147-L150 PolarHBondContact O-N 2.72Å; L147-I151 HydrophobicContact CD1-CD1 4.29Å; L147-I151 HydrophobicContact CG-CD1 4.04Å; L147-I151 WeakPolarHBondContact O-CG1 3.46Å; L147-I151 PolarHBondContact O-N 2.88Å |
| 148 | F | 84.7 | Confident | 84 | Confident | 32 Ų | 32 | 52 Ų | 52 | 14% | 0.14 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60 | -41.8 | 176.9 | -63.8 | -26.7 | 0 | 0 | 0 | 111.9 | F68 V75 L144 N145 L150 I151 I152 | F68-F148 HydrophobicContact CD2-CD2 4.43Å; F68-F148 AromaticContact CD2-CE2 3.64Å; F68-F148 HydrophobicContact CD2-CE2 3.64Å; F68-F148 HydrophobicContact CD2-CZ 4.48Å; F68-F148 AromaticContact CE2-CE2 3.41Å; F68-F148 HydrophobicContact CE2-CE2 3.41Å; F68-F148 VanDerWaalsContact CE2-CE2 3.41Å; F68-F148 AromaticContact CE2-CZ 3.84Å; F68-F148 HydrophobicContact CE2-CZ 3.84Å; F68-F148 HydrophobicContact CZ-CE2 4.37Å; V75-F148 HydrophobicContact CB-CD1 4.42Å; V75-F148 HydrophobicContact CG2-CB 3.69Å; V75-F148 HydrophobicContact CG2-CD1 3.79Å; V75-F148 HydrophobicContact CG2-CG 3.89Å; L144-F148 HydrophobicContact CB-CE2 4.23Å; L144-F148 HydrophobicContact CB-CZ 4.34Å; L144-F148 VanDerWaalsContact O-CD2 3.31Å; L144-F148 WeakPolarHBondContact O-CD2 3.45Å; L144-F148 WeakPolarHBondContact O-CG 3.33Å; L144-F148 PolarHBondContact O-N 3.49Å; N145-F148 PolarHBondContact O-N 3.12Å; F148-L150 VanDerWaalsContact C-N 3.35Å; F148-L150 PolarHBondContact O-N 3.11Å; F148-I151 PolarHBondContact O-N 3.38Å; F148-I152 WeakPolarHBondContact O-CB 3.41Å; F148-I152 WeakPolarHBondContact O-CD1 3.49Å; F148-I152 VanDerWaalsContact O-CG1 3.23Å; F148-I152 WeakPolarHBondContact O-CG1 3.27Å; F148-I152 PolarHBondContact O-N 2.93Å |
| 149 | L | 79.9 | Confident | 83.6 | Confident | 22 Ų | 22 | 59 Ų | 59 | 12% | 0.115 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.6 | -42.7 | 176.2 | -178.9 | 144.4 | 0 | 0 | 0 | 112 | N145 F146 L147 I152 L153 V179 V182 P183 | N145-L149 WeakPolarHBondContact O-CB 3.21Å; N145-L149 PolarHBondContact O-N 2.99Å; F146-L149 PolarHBondContact O-N 3.22Å; L147-L149 VanDerWaalsContact C-N 3.3Å; L147-L149 PolarHBondContact O-N 2.81Å; L149-I152 PolarHBondContact O-N 3.45Å; L149-L153 WeakPolarHBondContact O-CB 3.49Å; L149-L153 PolarHBondContact O-N 3.34Å; L149-V179 HydrophobicContact CD2-CG1 3.84Å; L149-V179 HydrophobicContact CG-CG1 4.38Å; L149-V182 HydrophobicContact CD1-CB 3.83Å; L149-V182 HydrophobicContact CD1-CG1 3.72Å; L149-P183 HydrophobicContact CD1-CB 4.13Å; L149-P183 VanDerWaalsContact CD1-CD 3.41Å; L149-P183 HydrophobicContact CD1-CG 3.65Å; L149-P183 HydrophobicContact CD2-CG 4.25Å |
| 150 | L | 83.6 | Confident | 83.1 | Confident | 71 Ų | 71 | 58.2 Ų | 58.2 | 37% | 0.372 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.7 | -43.5 | 175.8 | -69 | 179.4 | 0 | 0 | 0 | 111.8 | F146 L147 F148 L153 V154 | F146-L150 HydrophobicContact CD1-CD1 4.01Å; F146-L150 HydrophobicContact CD1-CG 4.49Å; F146-L150 HydrophobicContact CE1-CD1 3.49Å; F146-L150 VanDerWaalsContact CE1-CD1 3.49Å; F146-L150 HydrophobicContact CE1-CG 4.15Å; F146-L150 HydrophobicContact CZ-CD1 3.9Å; F146-L150 HydrophobicContact CZ-CD2 4.26Å; F146-L150 HydrophobicContact CZ-CG 4.2Å; F146-L150 WeakPolarHBondContact O-CG 3.08Å; F146-L150 PolarHBondContact O-N 3.13Å; L147-L150 PolarHBondContact O-N 2.72Å; F148-L150 VanDerWaalsContact C-N 3.35Å; F148-L150 PolarHBondContact O-N 3.11Å; L150-L153 WeakPolarHBondContact O-CB 3.29Å; L150-L153 PolarHBondContact O-N 3.08Å; L150-V154 WeakPolarHBondContact O-CG2 3.37Å; L150-V154 PolarHBondContact O-N 3.28Å |
| 151 | I | 85.3 | Confident | 82.5 | Confident | 62 Ų | 62 | 61.9 Ų | 61.9 | 32% | 0.318 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.3 | -50.4 | 177.4 | -66.7 | 165.9 | 0 | 0 | 0 | 110.5 | L147 F148 L153 V154 L155 | L147-I151 HydrophobicContact CD1-CD1 4.29Å; L147-I151 HydrophobicContact CG-CD1 4.04Å; L147-I151 WeakPolarHBondContact O-CG1 3.46Å; L147-I151 PolarHBondContact O-N 2.88Å; F148-I151 PolarHBondContact O-N 3.38Å; I151-L153 VanDerWaalsContact C-N 3.27Å; I151-L153 PolarHBondContact O-N 3.03Å; I151-V154 PolarHBondContact O-N 3.42Å; I151-L155 HydrophobicContact CG2-CD1 4Å; I151-L155 VanDerWaalsContact O-CG 3.31Å; I151-L155 WeakPolarHBondContact O-CG 3.44Å; I151-L155 PolarHBondContact O-N 3.34Å |
| 152 | I | 81.4 | Confident | 82 | Confident | 25 Ų | 25 | 65.9 Ų | 65.9 | 13% | 0.128 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.8 | -41.8 | 178.4 | -68.7 | 163.9 | 0 | 0 | 0 | 110.3 | L74 V75 F148 L149 L155 L156 | L74-I152 HydrophobicContact CB-CD1 3.6Å; L74-I152 HydrophobicContact CB-CG1 4.49Å; L74-I152 HydrophobicContact CD1-CD1 4.09Å; V75-I152 HydrophobicContact CG2-CD1 3.94Å; V75-I152 HydrophobicContact CG2-CG1 3.87Å; F148-I152 WeakPolarHBondContact O-CB 3.41Å; F148-I152 WeakPolarHBondContact O-CD1 3.49Å; F148-I152 VanDerWaalsContact O-CG1 3.23Å; F148-I152 WeakPolarHBondContact O-CG1 3.27Å; F148-I152 PolarHBondContact O-N 2.93Å; L149-I152 PolarHBondContact O-N 3.45Å; I152-L155 PolarHBondContact O-N 3.26Å; I152-L156 HydrophobicContact CG2-CD1 3.68Å; I152-L156 HydrophobicContact CG2-CG 4.26Å; I152-L156 WeakPolarHBondContact O-CB 3.49Å; I152-L156 VanDerWaalsContact O-CG 3.26Å; I152-L156 WeakPolarHBondContact O-CG 3.33Å; I152-L156 PolarHBondContact O-N 2.95Å |
| 153 | L | 80.1 | Confident | 81.3 | Confident | 46 Ų | 46 | 67.9 Ų | 67.9 | 24% | 0.241 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -58.4 | -54.8 | 176.1 | 178.3 | 63.5 | 0 | 0 | 0 | 110.1 | L149 L150 I151 L155 L156 V157 V179 | L149-L153 WeakPolarHBondContact O-CB 3.49Å; L149-L153 PolarHBondContact O-N 3.34Å; L150-L153 WeakPolarHBondContact O-CB 3.29Å; L150-L153 PolarHBondContact O-N 3.08Å; I151-L153 VanDerWaalsContact C-N 3.27Å; I151-L153 PolarHBondContact O-N 3.03Å; L153-L155 VanDerWaalsContact C-N 3.29Å; L153-L155 PolarHBondContact O-N 2.94Å; L153-L156 CarbonylContact O-C 3.57Å; L153-L156 WeakPolarHBondContact O-CA 3.39Å; L153-L156 WeakPolarHBondContact O-CB 3.49Å; L153-L156 PolarHBondContact O-N 3.39Å; L153-V157 HydrophobicContact CD1-CG2 4.09Å; L153-V157 HydrophobicContact CG-CG2 4.07Å; L153-V157 WeakPolarHBondContact O-CG2 3.46Å; L153-V157 PolarHBondContact O-N 3.33Å; L153-V179 HydrophobicContact CD1-CG1 4.07Å; L153-V179 HydrophobicContact CD1-CG2 4.15Å; L153-V179 HydrophobicContact CD2-CG1 4.2Å |
| 154 | V | 85.3 | Confident | 80.4 | Confident | 77 Ų | 77 | 73.1 Ų | 73.1 | 47% | 0.467 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -54.3 | -46 | 179.7 | 170.5 | 0 | 0 | 0 | 0 | 111.3 | L150 I151 L156 V157 Q158 | L150-V154 WeakPolarHBondContact O-CG2 3.37Å; L150-V154 PolarHBondContact O-N 3.28Å; I151-V154 PolarHBondContact O-N 3.42Å; V154-L156 PolarHBondContact O-N 2.9Å; V154-V157 WeakPolarHBondContact O-CB 3.4Å; V154-V157 PolarHBondContact O-N 2.79Å; V154-Q158 HydrophobicContact CG1-CG 4.46Å; V154-Q158 VanDerWaalsContact O-CG 3.29Å; V154-Q158 WeakPolarHBondContact O-CG 3.37Å; V154-Q158 PolarHBondContact O-N 2.87Å |
| 155 | L | 83.7 | Confident | 79.5 | Confident | 57 Ų | 57 | 73.4 Ų | 73.4 | 30% | 0.298 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.4 | -40.6 | 177.6 | -66.7 | 173 | 0 | 0 | 0 | 112.4 | F78 I151 I152 L153 K159 | F78-L155 HydrophobicContact CB-CD1 3.78Å; F78-L155 HydrophobicContact CG-CD1 4.21Å; I151-L155 HydrophobicContact CG2-CD1 4Å; I151-L155 VanDerWaalsContact O-CG 3.31Å; I151-L155 WeakPolarHBondContact O-CG 3.44Å; I151-L155 PolarHBondContact O-N 3.34Å; I152-L155 PolarHBondContact O-N 3.26Å; L153-L155 VanDerWaalsContact C-N 3.29Å; L153-L155 PolarHBondContact O-N 2.94Å; L155-K159 WeakPolarHBondContact O-CB 3.26Å; L155-K159 PolarHBondContact O-N 3.27Å; L155-K159 VanDerWaalsContact O-N 3.09Å |
| 156 | L | 79.1 | Confident | 78.7 | Confident | 54 Ų | 54 | 80.1 Ų | 80.1 | 28% | 0.283 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65 | -43.3 | 174.1 | -76.1 | 165.9 | 0 | 0 | 0 | 111.3 | I152 L153 V154 K159 L160 | I152-L156 HydrophobicContact CG2-CD1 3.68Å; I152-L156 HydrophobicContact CG2-CG 4.26Å; I152-L156 WeakPolarHBondContact O-CB 3.49Å; I152-L156 VanDerWaalsContact O-CG 3.26Å; I152-L156 WeakPolarHBondContact O-CG 3.33Å; I152-L156 PolarHBondContact O-N 2.95Å; L153-L156 CarbonylContact O-C 3.57Å; L153-L156 WeakPolarHBondContact O-CA 3.39Å; L153-L156 WeakPolarHBondContact O-CB 3.49Å; L153-L156 PolarHBondContact O-N 3.39Å; V154-L156 PolarHBondContact O-N 2.9Å; L156-K159 PolarHBondContact O-N 3.2Å; L156-L160 WeakPolarHBondContact O-CB 3.3Å; L156-L160 WeakPolarHBondContact O-CD1 3.36Å; L156-L160 WeakPolarHBondContact O-CG 3.23Å; L156-L160 PolarHBondContact O-N 3.13Å |
| 157 | V | 79.1 | Confident | 78.2 | Confident | 33 Ų | 33 | 81.6 Ų | 81.6 | 20% | 0.2 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -57.2 | -54.9 | 175.9 | -173.6 | 0 | 0 | 0 | 0 | 109.4 | L153 V154 K159 L160 W161 W172 | L153-V157 HydrophobicContact CD1-CG2 4.09Å; L153-V157 HydrophobicContact CG-CG2 4.07Å; L153-V157 WeakPolarHBondContact O-CG2 3.46Å; L153-V157 PolarHBondContact O-N 3.33Å; V154-V157 WeakPolarHBondContact O-CB 3.4Å; V154-V157 PolarHBondContact O-N 2.79Å; V157-K159 VanDerWaalsContact C-N 3.25Å; V157-K159 PolarHBondContact O-N 3.31Å; V157-L160 PolarHBondContact O-N 2.93Å; V157-W161 HydrophobicContact CG1-CG 4.49Å; V157-W161 PolarHBondContact O-N 3.39Å; V157-W172 HydrophobicContact CB-CH2 3.95Å; V157-W172 HydrophobicContact CB-CZ3 4Å; V157-W172 HydrophobicContact CG1-CH2 3.67Å; V157-W172 HydrophobicContact CG1-CZ3 3.93Å; V157-W172 HydrophobicContact CG2-CH2 3.35Å; V157-W172 HydrophobicContact CG2-CZ3 3.67Å |
| 158 | Q | 82.8 | Confident | 77.4 | Confident | 121 Ų | 121 | 78.2 Ų | 78.2 | 57% | 0.565 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -54.7 | -43.1 | -179.4 | -72.8 | 172.6 | -18.1 | 0 | 0 | 111.8 | V154 A162 | V154-Q158 HydrophobicContact CG1-CG 4.46Å; V154-Q158 VanDerWaalsContact O-CG 3.29Å; V154-Q158 WeakPolarHBondContact O-CG 3.37Å; V154-Q158 PolarHBondContact O-N 2.87Å; Q158-A162 PolarHBondContact O-N 3.02Å |
| 159 | K | 78.8 | Confident | 76.6 | Confident | 155 Ų | 155 | 84.4 Ų | 84.4 | 67% | 0.674 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -69.3 | -37.4 | 178 | -170 | 169.4 | -176.1 | 172.2 | 0 | 113.4 | L155 L156 V157 A162 S163 | L155-K159 WeakPolarHBondContact O-CB 3.26Å; L155-K159 PolarHBondContact O-N 3.27Å; L155-K159 VanDerWaalsContact O-N 3.09Å; L156-K159 PolarHBondContact O-N 3.2Å; V157-K159 VanDerWaalsContact C-N 3.25Å; V157-K159 PolarHBondContact O-N 3.31Å; K159-A162 PolarHBondContact O-N 3.48Å; K159-S163 PolarHBondContact O-N 3.34Å |
| 160 | L | 75.1 | Confident | 76.3 | Confident | 30 Ų | 30 | 91 Ų | 91 | 16% | 0.157 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -70.1 | -37.6 | 177.2 | -72.3 | 162.8 | 0 | 0 | 0 | 111.7 | L156 V157 A162 S163 I171 W172 I175 | L156-L160 WeakPolarHBondContact O-CB 3.3Å; L156-L160 WeakPolarHBondContact O-CD1 3.36Å; L156-L160 WeakPolarHBondContact O-CG 3.23Å; L156-L160 PolarHBondContact O-N 3.13Å; V157-L160 PolarHBondContact O-N 2.93Å; L160-A162 VanDerWaalsContact C-N 3.31Å; L160-A162 PolarHBondContact O-N 3.41Å; L160-S163 CarbonylContact O-C 3.56Å; L160-S163 PolarHBondContact O-N 2.85Å; L160-S163 VanDerWaalsContact O-N 3.11Å; L160-I171 HydrophobicContact CD2-CG2 4.11Å; L160-W172 HydrophobicContact CD1-CE3 3.65Å; L160-W172 HydrophobicContact CD1-CZ3 3.92Å; L160-I175 HydrophobicContact CD1-CD1 3.46Å; L160-I175 VanDerWaalsContact CD1-CD1 3.46Å; L160-I175 HydrophobicContact CD2-CD1 4.36Å; L160-I175 HydrophobicContact CG-CD1 4.5Å |
| 161 | W | 77.4 | Confident | 75.7 | Confident | 181 Ų | 181 | 91.2 Ų | 91.2 | 69% | 0.686 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -65.6 | -33.3 | 175 | -85.1 | 78.4 | 0 | 0 | 0 | 112.5 | V157 S163 | V157-W161 HydrophobicContact CG1-CG 4.49Å; V157-W161 PolarHBondContact O-N 3.39Å; W161-S163 VanDerWaalsContact C-N 3.28Å; W161-S163 PolarHBondContact O-N 3.42Å |
| 162 | A | 77.1 | Confident | 75.1 | Confident | 89 Ų | 89 | 92.7 Ų | 92.7 | 74% | 0.736 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -68.4 | -26.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q158 K159 L160 N164 | Q158-A162 PolarHBondContact O-N 3.02Å; K159-A162 PolarHBondContact O-N 3.48Å; L160-A162 VanDerWaalsContact C-N 3.31Å; L160-A162 PolarHBondContact O-N 3.41Å; A162-N164 PolarHBondContact O-N 2.94Å |
| 163 | S | 70.5 | Confident | 74.6 | Confident | 58 Ų | 58 | 99.2 Ų | 99.2 | 41% | 0.406 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -98.1 | 77.7 | 178.2 | -168.4 | 0 | 0 | 0 | 0 | 110 | K159 L160 W161 T165 S168 | K159-S163 PolarHBondContact O-N 3.34Å; L160-S163 CarbonylContact O-C 3.56Å; L160-S163 PolarHBondContact O-N 2.85Å; L160-S163 VanDerWaalsContact O-N 3.11Å; W161-S163 VanDerWaalsContact C-N 3.28Å; W161-S163 PolarHBondContact O-N 3.42Å; S163-T165 PolarHBondContact O-N 2.78Å; S163-S168 WeakPolarHBondContact O-CB 3.19Å; S163-S168 PolarHBondContact O-OG 3.06Å |
| 164 | N | 64.3 | Low | 74.2 | Confident | 151 Ų | 151 | 101.4 Ų | 101.4 | 81% | 0.807 | 51% | 0.508 | S | S | * | . | trans | -76.5 | 58.7 | -173.9 | -114.2 | -33.5 | 0 | 0 | 0 | 113.4 | A162 | A162-N164 PolarHBondContact O-N 2.94Š| ||
| 165 | T | 70.1 | Confident | 73.5 | Confident | 70 Ų | 70 | 99.3 Ų | 99.3 | 43% | 0.429 | 49% | 0.494 | S | S | . | . | trans | -101.7 | 150.2 | 176.6 | 72.7 | 0 | 0 | 0 | 0 | 111.6 | S163 E167 S168 | S163-T165 PolarHBondContact O-N 2.78Å; T165-E167 PolarHBondContact O-N 2.86Å; T165-E167 VanDerWaalsContact O-N 3.16Å; T165-S168 PolarHBondContact N-OG 2.94Å; T165-S168 WeakPolarHBondContact O-CB 3.33Å; T165-S168 PolarHBondContact O-N 3.24Å; T165-S168 PolarHBondContact O-OG 3.42Å; T165-S168 PolarHBondContact OG1-N 3.47Å; T165-S168 PolarHBondContact OG1-OG 3.34Å | ||
| 166 | I | 66.7 | Low | 72.8 | Confident | 152 Ų | 152 | 103.6 Ų | 103.6 | 78% | 0.779 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -58.8 | -26.6 | 174.2 | -64 | 171.5 | 0 | 0 | 0 | 110.8 | S168 K169 | I166-S168 VanDerWaalsContact C-N 3.35Å; I166-K169 PolarHBondContact O-N 3.03Å |
| 167 | E | 71 | Confident | 72.3 | Confident | 140 Ų | 140 | 103.9 Ų | 103.9 | 65% | 0.654 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.2 | -33.1 | 172.2 | -59.2 | -153.3 | 138.1 | 0 | 0 | 113.2 | T165 K169 K170 I171 | T165-E167 PolarHBondContact O-N 2.86Å; T165-E167 VanDerWaalsContact O-N 3.16Å; E167-K169 PolarHBondContact O-N 2.71Å; E167-K170 PolarHBondContact O-N 3.36Å; E167-I171 WeakPolarHBondContact O-CG1 3.31Å; E167-I171 PolarHBondContact O-N 3.13Å |
| 168 | S | 69 | Low | 71.8 | Confident | 16 Ų | 16 | 105.8 Ų | 105.8 | 11% | 0.112 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -58.5 | -31.8 | 178.5 | -54 | 0 | 0 | 0 | 0 | 112.4 | S163 T165 I166 W172 | S163-S168 WeakPolarHBondContact O-CB 3.19Å; S163-S168 PolarHBondContact O-OG 3.06Å; T165-S168 PolarHBondContact N-OG 2.94Å; T165-S168 WeakPolarHBondContact O-CB 3.33Å; T165-S168 PolarHBondContact O-N 3.24Å; T165-S168 PolarHBondContact O-OG 3.42Å; T165-S168 PolarHBondContact OG1-N 3.47Å; T165-S168 PolarHBondContact OG1-OG 3.34Å; I166-S168 VanDerWaalsContact C-N 3.35Å; S168-W172 VanDerWaalsContact O-CB 3.25Å; S168-W172 WeakPolarHBondContact O-CB 3.5Å; S168-W172 PolarHBondContact O-N 2.89Å |
| 169 | K | 68.5 | Low | 71 | Confident | 162 Ų | 162 | 101.4 Ų | 101.4 | 70% | 0.704 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67.2 | -36.3 | 175.1 | -71.6 | -176.9 | -179.8 | 177.8 | 0 | 112.9 | I166 E167 K173 | I166-K169 PolarHBondContact O-N 3.03Å; E167-K169 PolarHBondContact O-N 2.71Å; K169-K173 PolarHBondContact O-N 3.3Å |
| 170 | K | 73 | Confident | 70.3 | Confident | 161 Ų | 161 | 98.1 Ų | 98.1 | 70% | 0.7 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -71.6 | -46.9 | 176 | -69.5 | -179 | -178.7 | 175.1 | 0 | 110.2 | E167 W172 K173 T174 | E167-K170 PolarHBondContact O-N 3.36Å; K170-W172 VanDerWaalsContact C-N 3.27Å; K170-W172 PolarHBondContact O-N 3.04Å; K170-K173 WeakPolarHBondContact O-CB 3.48Å; K170-K173 PolarHBondContact O-N 2.97Å; K170-K173 VanDerWaalsContact O-N 3.13Å; K170-T174 PolarHBondContact O-N 3.41Å |
| 171 | I | 71.1 | Confident | 69.9 | Low | 76 Ų | 76 | 98.7 Ų | 98.7 | 39% | 0.39 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.3 | -41.4 | 177.3 | -67.2 | 167.5 | 0 | 0 | 0 | 110.7 | L160 E167 K173 T174 I175 | L160-I171 HydrophobicContact CD2-CG2 4.11Å; E167-I171 WeakPolarHBondContact O-CG1 3.31Å; E167-I171 PolarHBondContact O-N 3.13Å; I171-K173 VanDerWaalsContact C-N 3.33Å; I171-K173 PolarHBondContact O-N 3.33Å; I171-T174 PolarHBondContact O-N 3.01Å; I171-I175 HydrophobicContact CG2-CD1 3.53Å; I171-I175 HydrophobicContact CG2-CG1 4.12Å; I171-I175 WeakPolarHBondContact O-CB 3.37Å; I171-I175 VanDerWaalsContact O-CG1 3.31Å; I171-I175 WeakPolarHBondContact O-CG1 3.46Å; I171-I175 PolarHBondContact O-N 3.41Å |
| 172 | W | 73.1 | Confident | 69.4 | Low | 93 Ų | 93 | 92.8 Ų | 92.8 | 35% | 0.352 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.5 | -40.7 | 176.6 | -176.4 | -103 | 0 | 0 | 0 | 113.4 | V157 L160 S168 K170 I175 K176 | V157-W172 HydrophobicContact CB-CH2 3.95Å; V157-W172 HydrophobicContact CB-CZ3 4Å; V157-W172 HydrophobicContact CG1-CH2 3.67Å; V157-W172 HydrophobicContact CG1-CZ3 3.93Å; V157-W172 HydrophobicContact CG2-CH2 3.35Å; V157-W172 HydrophobicContact CG2-CZ3 3.67Å; L160-W172 HydrophobicContact CD1-CE3 3.65Å; L160-W172 HydrophobicContact CD1-CZ3 3.92Å; S168-W172 VanDerWaalsContact O-CB 3.25Å; S168-W172 WeakPolarHBondContact O-CB 3.5Å; S168-W172 PolarHBondContact O-N 2.89Å; K170-W172 VanDerWaalsContact C-N 3.27Å; K170-W172 PolarHBondContact O-N 3.04Å; W172-I175 PolarHBondContact O-N 3.2Å; W172-K176 WeakPolarHBondContact O-CB 3.34Å; W172-K176 PolarHBondContact O-N 3.03Å |
| 173 | K | 70.9 | Confident | 68.6 | Low | 162 Ų | 162 | 89.5 Ų | 89.5 | 70% | 0.704 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -63 | -44.6 | 176.8 | -70.7 | -178.9 | -179.7 | -177.2 | 0 | 111.2 | K169 K170 I171 K176 A177 | K169-K173 PolarHBondContact O-N 3.3Å; K170-K173 WeakPolarHBondContact O-CB 3.48Å; K170-K173 PolarHBondContact O-N 2.97Å; K170-K173 VanDerWaalsContact O-N 3.13Å; I171-K173 VanDerWaalsContact C-N 3.33Å; I171-K173 PolarHBondContact O-N 3.33Å; K173-K176 PolarHBondContact O-N 3.42Å; K173-A177 PolarHBondContact O-N 2.93Å; K173-A177 VanDerWaalsContact O-N 3.09Å |
| 174 | T | 70.6 | Confident | 68.2 | Low | 91 Ų | 91 | 87.2 Ų | 87.2 | 56% | 0.558 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -64.5 | -45.7 | 176.8 | -53.2 | 0 | 0 | 0 | 0 | 111.2 | K170 I171 K176 A177 T178 | K170-T174 PolarHBondContact O-N 3.41Å; I171-T174 PolarHBondContact O-N 3.01Å; T174-K176 VanDerWaalsContact C-N 3.33Å; T174-K176 PolarHBondContact O-N 2.86Å; T174-A177 WeakPolarHBondContact O-CB 3.31Å; T174-A177 PolarHBondContact O-N 3.03Å; T174-A177 VanDerWaalsContact O-N 3.16Å; T174-T178 PolarHBondContact O-N 3.36Å; T174-T178 PolarHBondContact O-OG1 2.89Å; T174-T178 VanDerWaalsContact O-OG1 3.11Å |
| 175 | I | 72 | Confident | 68.1 | Low | 34 Ų | 34 | 81.5 Ų | 81.5 | 17% | 0.174 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -59.3 | -46.2 | 176.9 | -71 | 173.6 | 0 | 0 | 0 | 110.2 | L160 I171 W172 A177 T178 V179 | L160-I175 HydrophobicContact CD1-CD1 3.46Å; L160-I175 VanDerWaalsContact CD1-CD1 3.46Å; L160-I175 HydrophobicContact CD2-CD1 4.36Å; L160-I175 HydrophobicContact CG-CD1 4.5Å; I171-I175 HydrophobicContact CG2-CD1 3.53Å; I171-I175 HydrophobicContact CG2-CG1 4.12Å; I171-I175 WeakPolarHBondContact O-CB 3.37Å; I171-I175 VanDerWaalsContact O-CG1 3.31Å; I171-I175 WeakPolarHBondContact O-CG1 3.46Å; I171-I175 PolarHBondContact O-N 3.41Å; W172-I175 PolarHBondContact O-N 3.2Å; I175-A177 VanDerWaalsContact C-N 3.28Å; I175-A177 PolarHBondContact O-N 3.26Å; I175-T178 PolarHBondContact O-N 3.07Å; I175-V179 HydrophobicContact CG2-CG2 3.77Å; I175-V179 WeakPolarHBondContact O-CB 3.46Å; I175-V179 WeakPolarHBondContact O-CG2 3.38Å; I175-V179 PolarHBondContact O-N 3.2Å |
| 176 | K | 68.3 | Low | 67.7 | Low | 146 Ų | 146 | 78.1 Ų | 78.1 | 64% | 0.635 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -57.9 | -41.9 | 177.3 | -174.5 | 177.8 | 179.2 | 178 | 0 | 111.9 | W172 K173 T174 L180 | W172-K176 WeakPolarHBondContact O-CB 3.34Å; W172-K176 PolarHBondContact O-N 3.03Å; K173-K176 PolarHBondContact O-N 3.42Å; T174-K176 VanDerWaalsContact C-N 3.33Å; T174-K176 PolarHBondContact O-N 2.86Å; K176-L180 WeakPolarHBondContact O-CB 3.45Å; K176-L180 PolarHBondContact O-N 2.97Å |
| 177 | A | 69.6 | Low | 67.3 | Low | 60 Ų | 60 | 72.7 Ų | 72.7 | 50% | 0.496 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65.5 | -47.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | K173 T174 I175 L180 L181 | K173-A177 PolarHBondContact O-N 2.93Å; K173-A177 VanDerWaalsContact O-N 3.09Å; T174-A177 WeakPolarHBondContact O-CB 3.31Å; T174-A177 PolarHBondContact O-N 3.03Å; T174-A177 VanDerWaalsContact O-N 3.16Å; I175-A177 VanDerWaalsContact C-N 3.28Å; I175-A177 PolarHBondContact O-N 3.26Å; A177-L180 PolarHBondContact O-N 2.79Å; A177-L181 PolarHBondContact O-N 2.94Å; A177-L181 VanDerWaalsContact O-N 3.09Å |
| 178 | T | 67.2 | Low | 66.9 | Low | 74 Ų | 74 | 67.7 Ų | 67.7 | 45% | 0.454 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65.4 | -41.5 | 178.9 | -54.4 | 0 | 0 | 0 | 0 | 111.9 | T174 I175 L180 L181 V182 | T174-T178 PolarHBondContact O-N 3.36Å; T174-T178 PolarHBondContact O-OG1 2.89Å; T174-T178 VanDerWaalsContact O-OG1 3.11Å; I175-T178 PolarHBondContact O-N 3.07Å; T178-L180 VanDerWaalsContact C-N 3.29Å; T178-L180 PolarHBondContact O-N 3.37Å; T178-L181 WeakPolarHBondContact O-CB 3.35Å; T178-L181 PolarHBondContact O-N 3.26Å; T178-L181 VanDerWaalsContact O-N 3.08Å; T178-V182 WeakPolarHBondContact O-CG2 3.33Å; T178-V182 PolarHBondContact O-N 3.31Å; T178-V182 VanDerWaalsContact O-N 3.1Å |
| 179 | V | 66 | Low | 66.4 | Low | 29 Ų | 29 | 67 Ų | 67 | 18% | 0.176 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.4 | -32.4 | 177.9 | 169.9 | 0 | 0 | 0 | 0 | 111.3 | L149 L153 I175 L181 P183 | L149-V179 HydrophobicContact CD2-CG1 3.84Å; L149-V179 HydrophobicContact CG-CG1 4.38Å; L153-V179 HydrophobicContact CD1-CG1 4.07Å; L153-V179 HydrophobicContact CD1-CG2 4.15Å; L153-V179 HydrophobicContact CD2-CG1 4.2Å; I175-V179 HydrophobicContact CG2-CG2 3.77Å; I175-V179 WeakPolarHBondContact O-CB 3.46Å; I175-V179 WeakPolarHBondContact O-CG2 3.38Å; I175-V179 PolarHBondContact O-N 3.2Å; V179-L181 VanDerWaalsContact C-N 3.33Å; V179-P183 WeakPolarHBondContact O-CD 3.28Å; V179-P183 VanDerWaalsContact O-CG 3.27Å; V179-P183 WeakPolarHBondContact O-CG 3.2Å |
| 180 | L | 64.1 | Low | 65.9 | Low | 85 Ų | 85 | 62.4 Ų | 62.4 | 45% | 0.445 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -71.6 | -32.2 | 172.5 | -173.7 | 65.9 | 0 | 0 | 0 | 111.5 | K176 A177 T178 P183 L184 | K176-L180 WeakPolarHBondContact O-CB 3.45Å; K176-L180 PolarHBondContact O-N 2.97Å; A177-L180 PolarHBondContact O-N 2.79Å; T178-L180 VanDerWaalsContact C-N 3.29Å; T178-L180 PolarHBondContact O-N 3.37Å; L180-P183 WeakPolarHBondContact O-CD 3.44Å; L180-L184 WeakPolarHBondContact O-CB 3.32Å |
| 181 | L | 67.3 | Low | 65.1 | Low | 42 Ų | 42 | 56.2 Ų | 56.2 | 22% | 0.22 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -72.9 | -37.6 | -177.1 | -167.2 | 66.1 | 0 | 0 | 0 | 113.2 | A177 T178 V179 L184 L185 A237 | A177-L181 PolarHBondContact O-N 2.94Å; A177-L181 VanDerWaalsContact O-N 3.09Å; T178-L181 WeakPolarHBondContact O-CB 3.35Å; T178-L181 PolarHBondContact O-N 3.26Å; T178-L181 VanDerWaalsContact O-N 3.08Å; V179-L181 VanDerWaalsContact C-N 3.33Å; L181-L184 WeakPolarHBondContact O-CB 3.49Å; L181-L184 PolarHBondContact O-N 3.06Å; L181-L185 PolarHBondContact O-N 2.97Å; L181-L185 VanDerWaalsContact O-N 3.14Å; L181-A237 HydrophobicContact CD1-CB 3.84Å; L181-A237 HydrophobicContact CD2-CB 4.37Å; L181-A237 HydrophobicContact CG-CB 4.11Å |
| 182 | V | 66.3 | Low | 64.4 | Low | 58 Ų | 58 | 58.5 Ų | 58.5 | 35% | 0.352 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.4 | -50.8 | -176.7 | 172.5 | 0 | 0 | 0 | 0 | 114.1 | L149 T178 L184 L185 | L149-V182 HydrophobicContact CD1-CB 3.83Å; L149-V182 HydrophobicContact CD1-CG1 3.72Å; T178-V182 WeakPolarHBondContact O-CG2 3.33Å; T178-V182 PolarHBondContact O-N 3.31Å; T178-V182 VanDerWaalsContact O-N 3.1Å; V182-L184 VanDerWaalsContact C-N 3.29Å; V182-L185 WeakPolarHBondContact O-CB 3.39Å; V182-L185 PolarHBondContact O-N 3.01Å |
| 183 | P | 62 | Low | 63.6 | Low | 20 Ų | 20 | 56.1 Ų | 56.1 | 13% | 0.13 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -73.1 | -28.6 | 177.7 | 22.9 | -19.5 | 0 | 0 | 0 | 110.2 | F146 L149 V179 L180 L185 G186 T187 | F146-P183 HydrophobicContact CD2-CB 4.43Å; L149-P183 HydrophobicContact CD1-CB 4.13Å; L149-P183 VanDerWaalsContact CD1-CD 3.41Å; L149-P183 HydrophobicContact CD1-CG 3.65Å; L149-P183 HydrophobicContact CD2-CG 4.25Å; V179-P183 WeakPolarHBondContact O-CD 3.28Å; V179-P183 VanDerWaalsContact O-CG 3.27Å; V179-P183 WeakPolarHBondContact O-CG 3.2Å; L180-P183 WeakPolarHBondContact O-CD 3.44Å; P183-L185 VanDerWaalsContact C-N 3.27Å; P183-L185 PolarHBondContact O-N 3.2Å; P183-G186 PolarHBondContact O-N 2.81Å; P183-T187 WeakPolarHBondContact O-CB 3.25Å; P183-T187 PolarHBondContact O-N 3.46Å; P183-T187 PolarHBondContact O-OG1 3.02Å |
| 184 | L | 62 | Low | 63 | Low | 10 Ų | 10 | 54.7 Ų | 54.7 | 5% | 0.052 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.9 | -41 | 175.2 | -160.2 | 110.7 | 0 | 0 | 0 | 111.5 | L180 L181 V182 G186 T188 Q218 | L180-L184 WeakPolarHBondContact O-CB 3.32Å; L181-L184 WeakPolarHBondContact O-CB 3.49Å; L181-L184 PolarHBondContact O-N 3.06Å; V182-L184 VanDerWaalsContact C-N 3.29Å; L184-G186 PolarHBondContact O-N 2.68Å; L184-T188 HydrophobicContact CD2-CG2 4.44Å; L184-T188 HydrophobicContact CG-CG2 4.29Å; L184-T188 WeakPolarHBondContact O-CB 3.31Å; L184-T188 WeakPolarHBondContact O-CG2 3.34Å; L184-T188 PolarHBondContact O-N 3.29Å; L184-T188 PolarHBondContact O-OG1 2.9Å; L184-Q218 HydrophobicContact CD1-CG 4.48Å |
| 185 | L | 61.8 | Low | 62.2 | Low | 30 Ų | 30 | 57.9 Ų | 57.9 | 16% | 0.157 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.4 | -32.2 | 173.9 | -82.1 | 171 | 0 | 0 | 0 | 114 | M67 L181 V182 P183 T188 N189 I234 A237 | M67-L185 HydrophobicContact SD-CB 4.42Å; L181-L185 PolarHBondContact O-N 2.97Å; L181-L185 VanDerWaalsContact O-N 3.14Å; V182-L185 WeakPolarHBondContact O-CB 3.39Å; V182-L185 PolarHBondContact O-N 3.01Å; P183-L185 VanDerWaalsContact C-N 3.27Å; P183-L185 PolarHBondContact O-N 3.2Å; L185-T188 PolarHBondContact O-OG1 3.12Å; L185-N189 PolarHBondContact O-ND2 3.03Å; L185-I234 HydrophobicContact CD2-CG1 4.43Å; L185-A237 HydrophobicContact CD1-CB 3.92Å; L185-A237 HydrophobicContact CD2-CB 3.26Å; L185-A237 HydrophobicContact CG-CB 3.61Å |
| 186 | G | 62.4 | Low | 61.4 | Low | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -88 | -47.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L142 P183 L184 T188 N189 | L142-G186 VanDerWaalsContact CD1-CA 3.45Å; L142-G186 WeakPolarHBondContact CD2-O 3.47Å; P183-G186 PolarHBondContact O-N 2.81Å; L184-G186 PolarHBondContact O-N 2.68Å; G186-T188 VanDerWaalsContact C-N 3.34Å; G186-T188 PolarHBondContact O-N 2.88Å; G186-N189 WeakPolarHBondContact O-CB 3.42Å; G186-N189 PolarHBondContact O-N 3.06Å; G186-N189 PolarHBondContact O-ND2 3.45Å |
| 187 | T | 57.6 | Low | 60.8 | Low | 38 Ų | 38 | 55.1 Ų | 55.1 | 23% | 0.233 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.6 | -32.9 | -177.5 | -51.5 | 0 | 0 | 0 | 0 | 112.3 | P183 N189 L190 L191 L214 | P183-T187 WeakPolarHBondContact O-CB 3.25Å; P183-T187 PolarHBondContact O-N 3.46Å; P183-T187 PolarHBondContact O-OG1 3.02Å; T187-N189 PolarHBondContact O-N 3.1Å; T187-L190 PolarHBondContact O-N 3.34Å; T187-L190 VanDerWaalsContact O-N 3.1Å; T187-L191 PolarHBondContact O-N 3.24Å; T187-L214 HydrophobicContact CG2-CD1 3.83Å; T187-L214 HydrophobicContact CG2-CD2 4.44Å |
| 188 | T | 62 | Low | 60.1 | Low | 35 Ų | 35 | 57.2 Ų | 57.2 | 22% | 0.215 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.7 | -28 | 171.8 | 52.6 | 0 | 0 | 0 | 0 | 112.4 | L184 L185 G186 | L184-T188 HydrophobicContact CD2-CG2 4.44Å; L184-T188 HydrophobicContact CG-CG2 4.29Å; L184-T188 WeakPolarHBondContact O-CB 3.31Å; L184-T188 WeakPolarHBondContact O-CG2 3.34Å; L184-T188 PolarHBondContact O-N 3.29Å; L184-T188 PolarHBondContact O-OG1 2.9Å; L185-T188 PolarHBondContact O-OG1 3.12Å; G186-T188 VanDerWaalsContact C-N 3.34Å; G186-T188 PolarHBondContact O-N 2.88Å |
| 189 | N | 58 | Low | 59.6 | Low | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -74.6 | -33.2 | 177.6 | -53.3 | -50.6 | 0 | 0 | 0 | 111.8 | M138 L185 G186 T187 L191 L192 F193 | M138-N189 HydrophobicContact CE-CB 3.27Å; L185-N189 PolarHBondContact O-ND2 3.03Å; G186-N189 WeakPolarHBondContact O-CB 3.42Å; G186-N189 PolarHBondContact O-N 3.06Å; G186-N189 PolarHBondContact O-ND2 3.45Å; T187-N189 PolarHBondContact O-N 3.1Å; N189-L191 VanDerWaalsContact C-N 3.29Å; N189-L191 PolarHBondContact O-N 3.2Å; N189-L192 PolarHBondContact O-N 3.17Å; N189-F193 WeakPolarHBondContact O-CD2 3.36Å |
| 190 | L | 58.1 | Low | 59.4 | Low | 65 Ų | 65 | 63.5 Ų | 63.5 | 34% | 0.34 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.2 | -36.5 | 177.6 | -153.6 | 108.1 | 0 | 0 | 0 | 111.4 | L142 T187 L192 F193 Y194 | L142-L190 HydrophobicContact CD2-CB 3.79Å; L142-L190 HydrophobicContact CD2-CD1 3.66Å; L142-L190 HydrophobicContact CD2-CG 4.31Å; T187-L190 PolarHBondContact O-N 3.34Å; T187-L190 VanDerWaalsContact O-N 3.1Å; L190-L192 VanDerWaalsContact C-N 3.27Å; L190-L192 PolarHBondContact O-N 3.46Å; L190-F193 PolarHBondContact O-N 2.79Å; L190-Y194 PolarHBondContact O-N 2.86Å; L190-Y194 VanDerWaalsContact O-N 3.12Å |
| 191 | L | 57.8 | Low | 59.2 | Low | 32 Ų | 32 | 65.1 Ų | 65.1 | 17% | 0.168 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.7 | -30.3 | 178.7 | -157.4 | 77.9 | 0 | 0 | 0 | 112.4 | T187 N189 F193 Y207 | T187-L191 PolarHBondContact O-N 3.24Å; N189-L191 VanDerWaalsContact C-N 3.29Å; N189-L191 PolarHBondContact O-N 3.2Å; L191-F193 VanDerWaalsContact C-N 3.34Å; L191-Y207 HydrophobicContact CD1-CD2 3.64Å; L191-Y207 HydrophobicContact CD1-CE2 3.25Å; L191-Y207 HydrophobicContact CG-CD2 4.41Å; L191-Y207 HydrophobicContact CG-CE2 3.53Å; L191-Y207 PolarHBondContact O-OH 3.23Å |
| 192 | L | 55.9 | Low | 59 | Low | 123 Ų | 123 | 73.6 Ų | 73.6 | 64% | 0.644 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -73.2 | -22.3 | 177.4 | -72.7 | 167.5 | 0 | 0 | 0 | 113.8 | N189 L190 | N189-L192 PolarHBondContact O-N 3.17Å; L190-L192 VanDerWaalsContact C-N 3.27Å; L190-L192 PolarHBondContact O-N 3.46Å |
| 193 | F | 56.3 | Low | 58.5 | Low | 43 Ų | 43 | 72.3 Ų | 72.3 | 19% | 0.189 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -104.2 | -23.8 | -176.9 | -68.7 | -67 | 0 | 0 | 0 | 113.9 | M57 T60 M131 M138 N189 L190 L191 E195 | M57-F193 HydrophobicContact CE-CE1 4.15Å; M57-F193 HydrophobicContact SD-CE1 3.87Å; M57-F193 HydrophobicContact SD-CZ 4.2Å; T60-F193 HydrophobicContact CG2-CE2 3.77Å; T60-F193 HydrophobicContact CG2-CZ 3.9Å; M131-F193 HydrophobicContact CE-CB 4.4Å; M131-F193 HydrophobicContact CE-CD1 3.39Å; M131-F193 HydrophobicContact CE-CE1 3.85Å; M131-F193 HydrophobicContact CE-CG 4.04Å; M138-F193 HydrophobicContact CE-CD2 3.68Å; M138-F193 HydrophobicContact CE-CE2 3.59Å; M138-F193 HydrophobicContact SD-CD2 3.63Å; M138-F193 HydrophobicContact SD-CE2 3.64Å; N189-F193 WeakPolarHBondContact O-CD2 3.36Å; L190-F193 PolarHBondContact O-N 2.79Å; L191-F193 VanDerWaalsContact C-N 3.34Å; F193-E195 PolarHBondContact O-N 3.48Å |
| 194 | Y | 57.7 | Low | 58.4 | Low | 133 Ų | 133 | 74.6 Ų | 74.6 | 52% | 0.522 | 38% | 0.376 | S | S | . | . | trans | -99.4 | 76.4 | 178.5 | -164.4 | -97.2 | 0 | 0 | 0 | 109.7 | L190 P196 Y207 | L190-Y194 PolarHBondContact O-N 2.86Å; L190-Y194 VanDerWaalsContact O-N 3.12Å; Y194-P196 HydrophobicContact CE1-CB 4.14Å; Y194-P196 WeakPolarHBondContact O-CD 3.31Å; Y194-Y207 WeakPolarHBondContact O-CD2 3.35Å; Y194-Y207 WeakPolarHBondContact O-CE2 3.25Å | ||
| 195 | E | 54.6 | Low | 58.2 | Low | 158 Ų | 158 | 79.4 Ų | 79.4 | 74% | 0.738 | 40% | 0.399 | S | S | * | . | trans | -83.1 | 105.9 | 162.4 | -166.6 | 159.4 | 162.4 | 0 | 0 | 107.2 | F193 N197 | F193-E195 PolarHBondContact O-N 3.48Å; E195-N197 PolarHBondContact O-N 3.43Å | ||
| 196 | P | 55.1 | Low | 58.2 | Low | 9 Ų | 9 | 80.7 Ų | 80.7 | 6% | 0.058 | 41% | 0.414 | C | S | . | . | trans | -63.7 | 133.2 | 179.8 | 26.4 | -33.3 | 0 | 0 | 0 | 109.1 | Y194 A203 H204 Y207 | Y194-P196 HydrophobicContact CE1-CB 4.14Å; Y194-P196 WeakPolarHBondContact O-CD 3.31Å; P196-A203 HydrophobicContact CB-CB 4.12Å; P196-H204 HydrophobicContact CG-CB 4.38Å; P196-Y207 HydrophobicContact CG-CD1 4.37Å; P196-Y207 HydrophobicContact CG-CD2 4.46Å; P196-Y207 HydrophobicContact CG-CG 3.96Å | ||
| 197 | N | 54.8 | Low | 58.1 | Low | 113 Ų | 113 | 83.1 Ų | 83.1 | 60% | 0.604 | 42% | 0.423 | S | S | * | . | trans | -48 | 131.3 | 171.6 | -78.8 | -32.3 | 0 | 0 | 0 | 109.6 | E195 V199 N200 | E195-N197 PolarHBondContact O-N 3.43Å; N197-V199 PolarHBondContact O-N 2.89Å; N197-N200 PolarHBondContact O-N 3.26Å | ||
| 198 | P | 56.2 | Low | 58.2 | Low | 103 Ų | 103 | 86 Ų | 86 | 67% | 0.669 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -10.6 | -172.8 | 25 | -34.9 | 0 | 0 | 0 | 113.5 | N200 | P198-N200 VanDerWaalsContact C-N 3.28Å; P198-N200 PolarHBondContact O-N 3.25Å |
| 199 | V | 56.7 | Low | 58.3 | Low | 128 Ų | 128 | 89.5 Ų | 89.5 | 78% | 0.776 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -29.3 | 179.2 | -172.4 | 0 | 0 | 0 | 0 | 112.4 | N197 E201 | N197-V199 PolarHBondContact O-N 2.89Å; V199-E201 PolarHBondContact O-N 3.28Å |
| 200 | N | 60.3 | Low | 58.3 | Low | 108 Ų | 108 | 93.7 Ų | 93.7 | 58% | 0.578 | 47% | 0.474 | S | S | * | . | trans | -98.6 | 83.8 | 178.7 | -77 | -19.5 | 0 | 0 | 0 | 110.5 | N197 P198 R202 A203 H204 | N197-N200 PolarHBondContact O-N 3.26Å; P198-N200 VanDerWaalsContact C-N 3.28Å; P198-N200 PolarHBondContact O-N 3.25Å; N200-R202 PolarHBondContact O-N 2.88Å; N200-R202 VanDerWaalsContact O-N 3.09Å; N200-A203 HydrophobicContact CB-CB 3.78Å; N200-A203 WeakPolarHBondContact O-CA 3.35Å; N200-A203 WeakPolarHBondContact O-CB 3.27Å; N200-A203 PolarHBondContact O-N 3.22Å; N200-H204 PolarHBondContact O-N 2.96Å | ||
| 201 | E | 60.7 | Low | 58.2 | Low | 119 Ų | 119 | 91.1 Ų | 91.1 | 56% | 0.556 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -46.7 | -42.7 | 178.4 | -163.1 | 68.8 | -149.7 | 0 | 0 | 112.3 | V199 A203 H204 Q205 | V199-E201 PolarHBondContact O-N 3.28Å; E201-A203 PolarHBondContact O-N 3.42Å; E201-H204 PolarHBondContact O-N 3.42Å; E201-Q205 WeakPolarHBondContact O-CB 3.26Å; E201-Q205 VanDerWaalsContact O-CG 3.23Å; E201-Q205 WeakPolarHBondContact O-CG 3.41Å; E201-Q205 PolarHBondContact O-N 2.99Å |
| 202 | R | 61.9 | Low | 58 | Low | 220 Ų | 220 | 90.6 Ų | 90.6 | 83% | 0.83 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -66.7 | -36.8 | 178.6 | -60.1 | -170.6 | -158.7 | 175.8 | 6.1 | 113.3 | N200 A206 | N200-R202 PolarHBondContact O-N 2.88Å; N200-R202 VanDerWaalsContact O-N 3.09Å; R202-A206 VanDerWaalsContact O-CB 3.28Å; R202-A206 WeakPolarHBondContact O-CB 3.12Å; R202-A206 PolarHBondContact O-N 3.26Å |
| 203 | A | 56.4 | Low | 57.9 | Low | 31 Ų | 31 | 89 Ų | 89 | 26% | 0.256 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -73.5 | -38.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | P196 N200 E201 A206 Y207 | P196-A203 HydrophobicContact CB-CB 4.12Å; N200-A203 HydrophobicContact CB-CB 3.78Å; N200-A203 WeakPolarHBondContact O-CA 3.35Å; N200-A203 WeakPolarHBondContact O-CB 3.27Å; N200-A203 PolarHBondContact O-N 3.22Å; E201-A203 PolarHBondContact O-N 3.42Å; A203-A206 PolarHBondContact O-N 3.44Å; A203-Y207 VanDerWaalsContact O-CB 3.26Å; A203-Y207 WeakPolarHBondContact O-CB 3.19Å; A203-Y207 PolarHBondContact O-N 3.45Å |
| 204 | H | 60.9 | Low | 57.8 | Low | 68 Ų | 68 | 88.8 Ų | 88.8 | 32% | 0.315 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64 | -44.4 | 172.2 | -169.6 | 78.3 | 0 | 0 | 0 | 111.3 | P196 N200 E201 Y207 M208 | P196-H204 HydrophobicContact CG-CB 4.38Å; N200-H204 PolarHBondContact O-N 2.96Å; E201-H204 PolarHBondContact O-N 3.42Å; H204-Y207 WeakPolarHBondContact O-CB 3.25Å; H204-Y207 PolarHBondContact O-N 2.99Å; H204-M208 WeakPolarHBondContact O-CB 3.42Å; H204-M208 WeakPolarHBondContact O-CG 3.48Å; H204-M208 PolarHBondContact O-N 3.39Å |
| 205 | Q | 58.2 | Low | 57.4 | Low | 111 Ų | 111 | 87.7 Ų | 87.7 | 52% | 0.519 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.4 | -40.5 | 175 | -75.2 | 176.7 | -8.2 | 0 | 0 | 112.9 | E201 M208 L209 | E201-Q205 WeakPolarHBondContact O-CB 3.26Å; E201-Q205 VanDerWaalsContact O-CG 3.23Å; E201-Q205 WeakPolarHBondContact O-CG 3.41Å; E201-Q205 PolarHBondContact O-N 2.99Å; Q205-M208 PolarHBondContact O-N 2.88Å; Q205-L209 VanDerWaalsContact O-CB 3.28Å; Q205-L209 WeakPolarHBondContact O-CB 2.92Å; Q205-L209 PolarHBondContact O-N 3.36Å |
| 206 | A | 61.2 | Low | 57.1 | Low | 57 Ų | 57 | 85.8 Ų | 85.8 | 47% | 0.471 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.9 | -39.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | R202 A203 L209 L210 | R202-A206 VanDerWaalsContact O-CB 3.28Å; R202-A206 WeakPolarHBondContact O-CB 3.12Å; R202-A206 PolarHBondContact O-N 3.26Å; A203-A206 PolarHBondContact O-N 3.44Å; A206-L209 PolarHBondContact O-N 2.94Å; A206-L210 VanDerWaalsContact O-CB 3.23Å; A206-L210 WeakPolarHBondContact O-CB 3.48Å; A206-L210 PolarHBondContact O-N 2.99Å |
| 207 | Y | 60.6 | Low | 56.8 | Low | 50 Ų | 50 | 87.9 Ų | 87.9 | 20% | 0.196 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -63.6 | -44.8 | 172.8 | 171.2 | -93 | 0 | 0 | 0 | 111.7 | L191 Y194 P196 A203 H204 L210 S211 | L191-Y207 HydrophobicContact CD1-CD2 3.64Å; L191-Y207 HydrophobicContact CD1-CE2 3.25Å; L191-Y207 HydrophobicContact CG-CD2 4.41Å; L191-Y207 HydrophobicContact CG-CE2 3.53Å; L191-Y207 PolarHBondContact O-OH 3.23Å; Y194-Y207 WeakPolarHBondContact O-CD2 3.35Å; Y194-Y207 WeakPolarHBondContact O-CE2 3.25Å; P196-Y207 HydrophobicContact CG-CD1 4.37Å; P196-Y207 HydrophobicContact CG-CD2 4.46Å; P196-Y207 HydrophobicContact CG-CG 3.96Å; A203-Y207 VanDerWaalsContact O-CB 3.26Å; A203-Y207 WeakPolarHBondContact O-CB 3.19Å; A203-Y207 PolarHBondContact O-N 3.45Å; H204-Y207 WeakPolarHBondContact O-CB 3.25Å; H204-Y207 PolarHBondContact O-N 2.99Å; Y207-L210 PolarHBondContact O-N 2.9Å; Y207-S211 VanDerWaalsContact O-CB 3.25Å; Y207-S211 WeakPolarHBondContact O-CB 3.11Å; Y207-S211 PolarHBondContact O-N 2.96Å; Y207-S211 PolarHBondContact O-OG 3.45Å |
| 208 | M | 59.3 | Low | 56.3 | Low | 99 Ų | 99 | 85.7 Ų | 85.7 | 49% | 0.488 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61.9 | -43.9 | 174.4 | -73.4 | -64.5 | -70.8 | 0 | 0 | 110.8 | H204 Q205 S211 A212 | H204-M208 WeakPolarHBondContact O-CB 3.42Å; H204-M208 WeakPolarHBondContact O-CG 3.48Å; H204-M208 PolarHBondContact O-N 3.39Å; Q205-M208 PolarHBondContact O-N 2.88Å; M208-S211 WeakPolarHBondContact CA-OG 3.02Å; M208-S211 PolarHBondContact O-OG 3.31Å; M208-A212 WeakPolarHBondContact O-CB 2.98Å; M208-A212 PolarHBondContact O-N 3.45Å |
| 209 | L | 63.5 | Low | 55.8 | Low | 109 Ų | 109 | 86 Ų | 86 | 57% | 0.571 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -66.5 | -40.3 | 177 | -177.5 | 64 | 0 | 0 | 0 | 112.2 | Q205 A206 A212 I213 | Q205-L209 VanDerWaalsContact O-CB 3.28Å; Q205-L209 WeakPolarHBondContact O-CB 2.92Å; Q205-L209 PolarHBondContact O-N 3.36Å; A206-L209 PolarHBondContact O-N 2.94Å; L209-A212 WeakPolarHBondContact O-CB 3.26Å; L209-A212 PolarHBondContact O-N 3.31Å; L209-I213 HydrophobicContact CD1-CD1 4.11Å; L209-I213 HydrophobicContact CD1-CG1 4.35Å; L209-I213 HydrophobicContact CD2-CD1 4.5Å; L209-I213 HydrophobicContact CG-CD1 3.84Å; L209-I213 HydrophobicContact CG-CG1 4.47Å; L209-I213 WeakPolarHBondContact O-CB 3.38Å; L209-I213 WeakPolarHBondContact O-CD1 3.32Å; L209-I213 WeakPolarHBondContact O-CG1 3.19Å; L209-I213 PolarHBondContact O-N 3.34Å |
| 210 | L | 58.1 | Low | 55.1 | Low | 89 Ų | 89 | 89.5 Ų | 89.5 | 47% | 0.466 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -69.8 | -45.7 | 178.8 | -179.6 | 64.8 | 0 | 0 | 0 | 111.3 | A206 Y207 A212 I213 L214 | A206-L210 VanDerWaalsContact O-CB 3.23Å; A206-L210 WeakPolarHBondContact O-CB 3.48Å; A206-L210 PolarHBondContact O-N 2.99Å; Y207-L210 PolarHBondContact O-N 2.9Å; L210-A212 VanDerWaalsContact C-N 3.26Å; L210-A212 PolarHBondContact O-N 2.97Å; L210-I213 PolarHBondContact O-N 3.43Å; L210-L214 HydrophobicContact CD1-CD1 4.11Å; L210-L214 HydrophobicContact CD1-CG 4.26Å; L210-L214 HydrophobicContact CG-CD1 3.94Å; L210-L214 HydrophobicContact CG-CG 4.47Å; L210-L214 VanDerWaalsContact O-CB 3.32Å; L210-L214 WeakPolarHBondContact O-CB 3.18Å; L210-L214 WeakPolarHBondContact O-CG 3.23Å; L210-L214 PolarHBondContact O-N 2.94Å |
| 211 | S | 56.2 | Low | 54.2 | Low | 11 Ų | 11 | 90.6 Ų | 90.6 | 8% | 0.077 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -60.5 | -40.2 | 173.5 | 61.3 | 0 | 0 | 0 | 0 | 111.2 | Y207 M208 Q215 | Y207-S211 VanDerWaalsContact O-CB 3.25Å; Y207-S211 WeakPolarHBondContact O-CB 3.11Å; Y207-S211 PolarHBondContact O-N 2.96Å; Y207-S211 PolarHBondContact O-OG 3.45Å; M208-S211 WeakPolarHBondContact CA-OG 3.02Å; M208-S211 PolarHBondContact O-OG 3.31Å; S211-Q215 VanDerWaalsContact O-CB 3.28Å; S211-Q215 WeakPolarHBondContact O-CB 3.33Å; S211-Q215 WeakPolarHBondContact O-CG 3.39Å; S211-Q215 PolarHBondContact O-N 2.81Å |
| 212 | A | 53.1 | Low | 53.3 | Low | 21 Ų | 21 | 89.5 Ų | 89.5 | 17% | 0.174 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -61.1 | -56.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | M208 L209 L210 L214 Q215 H216 | M208-A212 WeakPolarHBondContact O-CB 2.98Å; M208-A212 PolarHBondContact O-N 3.45Å; L209-A212 WeakPolarHBondContact O-CB 3.26Å; L209-A212 PolarHBondContact O-N 3.31Å; L210-A212 VanDerWaalsContact C-N 3.26Å; L210-A212 PolarHBondContact O-N 2.97Å; A212-L214 VanDerWaalsContact C-N 3.32Å; A212-L214 PolarHBondContact O-N 3.44Å; A212-Q215 CarbonylContact O-C 3.45Å; A212-Q215 WeakPolarHBondContact O-CA 3.37Å; A212-Q215 PolarHBondContact O-N 3.04Å; A212-H216 VanDerWaalsContact C-CE1 3.5Å; A212-H216 VanDerWaalsContact C-CG 3.48Å; A212-H216 WeakPolarHBondContact CB-NE2 3.35Å; A212-H216 WeakPolarHBondContact O-CB 3.27Å; A212-H216 PolarHBondContact O-CD2 3Å; A212-H216 PolarHBondContact O-CE1 3.21Å; A212-H216 PolarHBondContact O-N 2.89Å; A212-H216 PolarHBondContact O-ND1 3.43Å; A212-H216 PolarHBondContact O-NE2 2.86Å |
| 213 | I | 54.9 | Low | 52 | Low | 90 Ų | 90 | 89.2 Ų | 89.2 | 46% | 0.462 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -56.2 | -42 | 178.2 | -69.8 | 163.9 | 0 | 0 | 0 | 112.7 | L209 L210 Q215 H216 S217 | L209-I213 HydrophobicContact CD1-CD1 4.11Å; L209-I213 HydrophobicContact CD1-CG1 4.35Å; L209-I213 HydrophobicContact CD2-CD1 4.5Å; L209-I213 HydrophobicContact CG-CD1 3.84Å; L209-I213 HydrophobicContact CG-CG1 4.47Å; L209-I213 WeakPolarHBondContact O-CB 3.38Å; L209-I213 WeakPolarHBondContact O-CD1 3.32Å; L209-I213 WeakPolarHBondContact O-CG1 3.19Å; L209-I213 PolarHBondContact O-N 3.34Å; L210-I213 PolarHBondContact O-N 3.43Å; I213-Q215 VanDerWaalsContact C-N 3.34Å; I213-H216 PolarHBondContact O-N 3.14Å; I213-S217 PolarHBondContact O-N 3.18Å; I213-S217 PolarHBondContact O-OG 2.84Å |
| 214 | L | 52.8 | Low | 51.2 | Low | 38 Ų | 38 | 92.3 Ų | 92.3 | 20% | 0.199 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -68.3 | -33.7 | 177.7 | -69.3 | 171.9 | 0 | 0 | 0 | 111.9 | T187 L210 A212 S217 | T187-L214 HydrophobicContact CG2-CD1 3.83Å; T187-L214 HydrophobicContact CG2-CD2 4.44Å; L210-L214 HydrophobicContact CD1-CD1 4.11Å; L210-L214 HydrophobicContact CD1-CG 4.26Å; L210-L214 HydrophobicContact CG-CD1 3.94Å; L210-L214 HydrophobicContact CG-CG 4.47Å; L210-L214 VanDerWaalsContact O-CB 3.32Å; L210-L214 WeakPolarHBondContact O-CB 3.18Å; L210-L214 WeakPolarHBondContact O-CG 3.23Å; L210-L214 PolarHBondContact O-N 2.94Å; A212-L214 VanDerWaalsContact C-N 3.32Å; A212-L214 PolarHBondContact O-N 3.44Å; L214-S217 PolarHBondContact O-OG 3.44Å |
| 215 | Q | 50.2 | Low | 50.4 | Low | 110 Ų | 110 | 94 Ų | 94 | 51% | 0.514 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -76.4 | -34 | 170.6 | -73.1 | 169.3 | 23.7 | 0 | 0 | 112 | S211 A212 I213 S217 Q218 V219 | S211-Q215 VanDerWaalsContact O-CB 3.28Å; S211-Q215 WeakPolarHBondContact O-CB 3.33Å; S211-Q215 WeakPolarHBondContact O-CG 3.39Å; S211-Q215 PolarHBondContact O-N 2.81Å; A212-Q215 CarbonylContact O-C 3.45Å; A212-Q215 WeakPolarHBondContact O-CA 3.37Å; A212-Q215 PolarHBondContact O-N 3.04Å; I213-Q215 VanDerWaalsContact C-N 3.34Å; Q215-S217 VanDerWaalsContact C-N 3.34Å; Q215-S217 PolarHBondContact O-N 3.42Å; Q215-Q218 VanDerWaalsContact O-CB 3.31Å; Q215-Q218 WeakPolarHBondContact O-CB 3.36Å; Q215-Q218 PolarHBondContact O-N 3.46Å; Q215-Q218 VanDerWaalsContact O-N 3.08Å; Q215-V219 WeakPolarHBondContact O-CG2 3.2Å |
| 216 | H | 48 | Very low | 49.2 | Very low | 117 Ų | 117 | 96.2 Ų | 96.2 | 54% | 0.542 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -72.3 | -29.7 | -177.1 | -59.6 | -10.3 | 0 | 0 | 0 | 112.2 | A212 I213 Q218 V219 | A212-H216 VanDerWaalsContact C-CE1 3.5Å; A212-H216 VanDerWaalsContact C-CG 3.48Å; A212-H216 WeakPolarHBondContact CB-NE2 3.35Å; A212-H216 WeakPolarHBondContact O-CB 3.27Å; A212-H216 PolarHBondContact O-CD2 3Å; A212-H216 PolarHBondContact O-CE1 3.21Å; A212-H216 PolarHBondContact O-N 2.89Å; A212-H216 PolarHBondContact O-ND1 3.43Å; A212-H216 PolarHBondContact O-NE2 2.86Å; I213-H216 PolarHBondContact O-N 3.14Å; H216-Q218 PolarHBondContact O-N 2.86Å; H216-V219 PolarHBondContact O-N 2.86Å |
| 217 | S | 48.8 | Very low | 48.2 | Very low | 53 Ų | 53 | 102.1 Ų | 102.1 | 37% | 0.371 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -13.1 | 171.5 | 38.1 | 0 | 0 | 0 | 0 | 113.2 | I213 L214 Q215 | I213-S217 PolarHBondContact O-N 3.18Å; I213-S217 PolarHBondContact O-OG 2.84Å; L214-S217 PolarHBondContact O-OG 3.44Å; Q215-S217 VanDerWaalsContact C-N 3.34Å; Q215-S217 PolarHBondContact O-N 3.42Å |
| 218 | Q | 44.4 | Very low | 47.3 | Very low | 67 Ų | 67 | 104.9 Ų | 104.9 | 31% | 0.313 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.9 | -15.5 | 172.1 | -57.3 | -79.6 | -59.5 | 0 | 0 | 113.4 | L184 Q215 H216 | L184-Q218 HydrophobicContact CD1-CG 4.48Å; Q215-Q218 VanDerWaalsContact O-CB 3.31Å; Q215-Q218 WeakPolarHBondContact O-CB 3.36Å; Q215-Q218 PolarHBondContact O-N 3.46Å; Q215-Q218 VanDerWaalsContact O-N 3.08Å; H216-Q218 PolarHBondContact O-N 2.86Å |
| 219 | V | 45.7 | Very low | 46.5 | Very low | 111 Ų | 111 | 109.3 Ų | 109.3 | 67% | 0.673 | 58% | 0.575 | S | S | * | * | G | 310 helix | trans | -96.2 | -8.1 | -165.3 | 175.3 | 0 | 0 | 0 | 0 | 114 | Q215 H216 C221 | Q215-V219 WeakPolarHBondContact O-CG2 3.2Å; H216-V219 PolarHBondContact O-N 2.86Å; V219-C221 VanDerWaalsContact C-N 3.33Å; V219-C221 PolarHBondContact O-N 2.82Å |
| 220 | K | 40.9 | Very low | 45.6 | Very low | 201 Ų | 201 | 111.7 Ų | 111.7 | 87% | 0.874 | 59% | 0.589 | S | S | * | * | G | 310 helix | trans | -81.6 | -0.9 | -177.6 | -128 | 174.9 | -174.1 | 176.9 | 0 | 115.8 | ||
| 221 | C | 42.5 | Very low | 45.2 | Very low | 131 Ų | 131 | 110.1 Ų | 110.1 | 89% | 0.885 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -126.3 | 4.9 | -174.7 | -73.9 | 0 | 0 | 0 | 0 | 116.8 | V219 | V219-C221 VanDerWaalsContact C-N 3.33Å; V219-C221 PolarHBondContact O-N 2.82Å |
| 222 | S | 41.5 | Very low | 44.9 | Very low | 95 Ų | 95 | 114.9 Ų | 114.9 | 66% | 0.664 | 61% | 0.608 | S | S | * | * | trans | -133.2 | 100.1 | 177.7 | -155.3 | 0 | 0 | 0 | 0 | 112.9 | S224 | S222-S224 PolarHBondContact O-N 3.32Š| ||
| 223 | K | 35.6 | Very low | 45 | Very low | 214 Ų | 214 | 114.3 Ų | 114.3 | 93% | 0.93 | 60% | 0.604 | S | S | * | * | trans | -76.3 | 96.4 | 156.7 | -78.1 | -178 | 176.5 | 179.7 | 0 | 107.2 | ||||
| 224 | S | 38.7 | Very low | 44.8 | Very low | 96 Ų | 96 | 111.4 Ų | 111.4 | 67% | 0.671 | 59% | 0.589 | S | S | * | * | S | Bend | trans | 151.2 | 138.3 | 153.4 | -175.7 | 0 | 0 | 0 | 0 | 110.2 | S222 | S222-S224 PolarHBondContact O-N 3.32Š|
| 225 | S | 43.2 | Very low | 44.8 | Very low | 105 Ų | 105 | 112.7 Ų | 112.7 | 73% | 0.734 | 59% | 0.593 | S | S | * | * | trans | 81.6 | 76.8 | 169.8 | -57.5 | 0 | 0 | 0 | 0 | 118 | H227 | S225-H227 PolarHBondContact O-N 2.78Š| ||
| 226 | L | 33.1 | Very low | 45 | Very low | 157 Ų | 157 | 109.3 Ų | 109.3 | 82% | 0.822 | 58% | 0.58 | S | S | * | * | trans | -53.6 | 105.9 | 144.5 | 177 | 76.3 | 0 | 0 | 0 | 109.2 | ||||
| 227 | H | 40.4 | Very low | 45.3 | Very low | 180 Ų | 180 | 103.9 Ų | 103.9 | 83% | 0.833 | 56% | 0.556 | S | S | * | * | trans | -177.2 | 1.3 | 152.6 | -104 | -68.2 | 0 | 0 | 0 | 117.2 | S225 | S225-H227 PolarHBondContact O-N 2.78Š| ||
| 228 | F | 42.7 | Very low | 45.6 | Very low | 108 Ų | 108 | 102.6 Ų | 102.6 | 47% | 0.474 | 55% | 0.545 | S | S | . | . | trans | -122.4 | 72.5 | -173.4 | -133.7 | -104.3 | 0 | 0 | 0 | 112.6 | S231 M232 | F228-S231 VanDerWaalsContact CD1-OG 3.29Å; F228-S231 WeakPolarHBondContact CD1-OG 3.32Å; F228-S231 WeakPolarHBondContact CE1-OG 3.49Å; F228-M232 HydrophobicContact CB-CE 3.39Å; F228-M232 HydrophobicContact CB-CG 4.19Å; F228-M232 HydrophobicContact CB-SD 3.59Å; F228-M232 VanDerWaalsContact CB-SD 3.59Å; F228-M232 HydrophobicContact CD1-CB 4.12Å; F228-M232 HydrophobicContact CD1-CE 4.35Å; F228-M232 HydrophobicContact CD1-CG 3.91Å; F228-M232 HydrophobicContact CD1-SD 4.44Å; F228-M232 HydrophobicContact CG-CE 4.13Å; F228-M232 HydrophobicContact CG-SD 4.48Å; F228-M232 VanDerWaalsContact O-SD 3.33Å | ||
| 229 | K | 41.7 | Very low | 46.1 | Very low | 192 Ų | 192 | 106 Ų | 106 | 84% | 0.835 | 56% | 0.559 | S | S | * | * | trans | -83.3 | -9.9 | -172.6 | -107.9 | -177.7 | 175.8 | -172.9 | 0 | 116.2 | ||||
| 230 | N | 44.9 | Very low | 46.6 | Very low | 159 Ų | 159 | 108.3 Ų | 108.3 | 85% | 0.85 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -129.9 | 12.3 | -168.4 | -71.3 | -21.4 | 0 | 0 | 0 | 116.7 | ||
| 231 | S | 49.9 | Very low | 47.4 | Very low | 56 Ų | 56 | 100.8 Ų | 100.8 | 39% | 0.392 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -151.5 | 21.7 | -176.6 | 38.9 | 0 | 0 | 0 | 0 | 115.4 | F228 | F228-S231 VanDerWaalsContact CD1-OG 3.29Å; F228-S231 WeakPolarHBondContact CD1-OG 3.32Å; F228-S231 WeakPolarHBondContact CE1-OG 3.49Å |
| 232 | M | 50.2 | Low | 48 | Very low | 111 Ų | 111 | 99.4 Ų | 99.4 | 55% | 0.547 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | 69.7 | -153.8 | -142.5 | -174.9 | -155.4 | 0 | 0 | 114.2 | F228 V236 | F228-M232 HydrophobicContact CB-CE 3.39Å; F228-M232 HydrophobicContact CB-CG 4.19Å; F228-M232 HydrophobicContact CB-SD 3.59Å; F228-M232 VanDerWaalsContact CB-SD 3.59Å; F228-M232 HydrophobicContact CD1-CB 4.12Å; F228-M232 HydrophobicContact CD1-CE 4.35Å; F228-M232 HydrophobicContact CD1-CG 3.91Å; F228-M232 HydrophobicContact CD1-SD 4.44Å; F228-M232 HydrophobicContact CG-CE 4.13Å; F228-M232 HydrophobicContact CG-SD 4.48Å; F228-M232 VanDerWaalsContact O-SD 3.33Å; M232-V236 HydrophobicContact CG-CG2 3.99Å |
| 233 | G | 54.7 | Low | 48.6 | Very low | 10 Ų | 10 | 98.6 Ų | 98.6 | 10% | 0.103 | 50% | 0.501 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -147.8 | -49.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V236 A237 | G233-V236 PolarHBondContact O-N 3.26Å; G233-A237 WeakPolarHBondContact O-CB 3.07Å; G233-A237 PolarHBondContact O-N 3.27Å |
| 234 | I | 51.6 | Low | 49.9 | Very low | 28 Ų | 28 | 91.6 Ų | 91.6 | 14% | 0.144 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -70.5 | -41.8 | 178.2 | -68.6 | 148.4 | 0 | 0 | 0 | 111.6 | R31 L185 V236 A237 L238 | R31-I234 VanDerWaalsContact NH2-CG1 3.32Å; L185-I234 HydrophobicContact CD2-CG1 4.43Å; I234-V236 VanDerWaalsContact C-N 3.32Å; I234-V236 PolarHBondContact O-N 3.32Å; I234-A237 PolarHBondContact O-N 3.35Å; I234-L238 HydrophobicContact CG2-CD1 3.95Å; I234-L238 WeakPolarHBondContact O-CB 3.23Å; I234-L238 WeakPolarHBondContact O-CG 3.39Å; I234-L238 PolarHBondContact O-N 2.02Å |
| 235 | F | 52.6 | Low | 50.5 | Low | 65 Ų | 65 | 89.3 Ų | 89.3 | 29% | 0.285 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.6 | -42.4 | 176.3 | -79.1 | -99.9 | 0 | 0 | 0 | 111.2 | F32 F239 | F32-F235 HydrophobicContact CD2-CE1 4.23Å; F32-F235 HydrophobicContact CD2-CZ 4.08Å; F32-F235 AromaticContact CE2-CD1 3.7Å; F32-F235 HydrophobicContact CE2-CD1 3.7Å; F32-F235 AromaticContact CE2-CE1 3.12Å; F32-F235 HydrophobicContact CE2-CE1 3.12Å; F32-F235 HydrophobicContact CE2-CE2 4.1Å; F32-F235 HydrophobicContact CE2-CG 4.42Å; F32-F235 AromaticContact CE2-CZ 3.32Å; F32-F235 HydrophobicContact CE2-CZ 3.32Å; F32-F235 HydrophobicContact CZ-CD1 4.32Å; F32-F235 AromaticContact CZ-CE1 3.58Å; F32-F235 HydrophobicContact CZ-CE1 3.58Å; F32-F235 HydrophobicContact CZ-CZ 4.03Å; F235-F239 VanDerWaalsContact O-CB 3.3Å; F235-F239 WeakPolarHBondContact O-CB 3.19Å; F235-F239 WeakPolarHBondContact O-CD2 3.24Å; F235-F239 PolarHBondContact O-N 3.48Å |
| 236 | V | 54.1 | Low | 51.4 | Low | 39 Ų | 39 | 91.4 Ų | 91.4 | 24% | 0.236 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -63.3 | -49 | 178.2 | 178.3 | 0 | 0 | 0 | 0 | 110 | M232 G233 I234 L238 F239 Y240 | M232-V236 HydrophobicContact CG-CG2 3.99Å; G233-V236 PolarHBondContact O-N 3.26Å; I234-V236 VanDerWaalsContact C-N 3.32Å; I234-V236 PolarHBondContact O-N 3.32Å; V236-L238 PolarHBondContact O-N 3.39Å; V236-F239 PolarHBondContact O-N 3.46Å; V236-Y240 HydrophobicContact CG1-CD2 3.59Å; V236-Y240 HydrophobicContact CG1-CE2 3.68Å; V236-Y240 WeakPolarHBondContact O-CB 3.45Å; V236-Y240 VanDerWaalsContact O-CD2 3.26Å; V236-Y240 WeakPolarHBondContact O-CD2 3.28Å; V236-Y240 PolarHBondContact O-N 3.12Å |
| 237 | A | 54.5 | Low | 52.6 | Low | 4 Ų | 4 | 86.4 Ų | 86.4 | 3% | 0.033 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -65.9 | -37.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | L181 L185 G233 I234 Y240 C241 | L181-A237 HydrophobicContact CD1-CB 3.84Å; L181-A237 HydrophobicContact CD2-CB 4.37Å; L181-A237 HydrophobicContact CG-CB 4.11Å; L185-A237 HydrophobicContact CD1-CB 3.92Å; L185-A237 HydrophobicContact CD2-CB 3.26Å; L185-A237 HydrophobicContact CG-CB 3.61Å; G233-A237 WeakPolarHBondContact O-CB 3.07Å; G233-A237 PolarHBondContact O-N 3.27Å; I234-A237 PolarHBondContact O-N 3.35Å; A237-Y240 PolarHBondContact O-N 3.28Å; A237-C241 WeakPolarHBondContact O-CB 3.22Å; A237-C241 PolarHBondContact O-N 3.03Å |
| 238 | L | 55 | Low | 53.5 | Low | 26 Ų | 26 | 82.7 Ų | 82.7 | 14% | 0.136 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -67.4 | -44.1 | 173.1 | -75.6 | 171.8 | 0 | 0 | 0 | 111.4 | F28 F32 I234 V236 Y240 C241 F242 | F28-L238 HydrophobicContact CB-CD2 4.2Å; F32-L238 HydrophobicContact CD2-CD1 4.34Å; I234-L238 HydrophobicContact CG2-CD1 3.95Å; I234-L238 WeakPolarHBondContact O-CB 3.23Å; I234-L238 WeakPolarHBondContact O-CG 3.39Å; I234-L238 PolarHBondContact O-N 2.02Å; V236-L238 PolarHBondContact O-N 3.39Å; L238-Y240 VanDerWaalsContact C-N 3.33Å; L238-Y240 PolarHBondContact O-N 3Å; L238-C241 PolarHBondContact O-N 3.45Å; L238-C241 VanDerWaalsContact O-N 3.15Å; L238-F242 HydrophobicContact CB-CD2 4.42Å; L238-F242 HydrophobicContact CB-CE2 4.45Å; L238-F242 HydrophobicContact CD2-CE2 4.13Å; L238-F242 WeakPolarHBondContact O-CD2 3.28Å; L238-F242 PolarHBondContact O-N 2.84Å |
| 239 | F | 55.1 | Low | 54.9 | Low | 139 Ų | 139 | 81.6 Ų | 81.6 | 61% | 0.61 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -59.6 | -44.6 | 173.1 | -98.4 | -87.7 | 0 | 0 | 0 | 111.2 | F235 V236 C241 F242 C243 | F235-F239 VanDerWaalsContact O-CB 3.3Å; F235-F239 WeakPolarHBondContact O-CB 3.19Å; F235-F239 WeakPolarHBondContact O-CD2 3.24Å; F235-F239 PolarHBondContact O-N 3.48Å; V236-F239 PolarHBondContact O-N 3.46Å; F239-C241 VanDerWaalsContact C-N 3.3Å; F239-C241 PolarHBondContact O-N 2.73Å; F239-F242 PolarHBondContact O-N 3.36Å; F239-C243 WeakPolarHBondContact O-CA 3.15Å; F239-C243 WeakPolarHBondContact O-CB 3.4Å; F239-C243 PolarHBondContact O-N 3.04Å; F239-C243 PolarHBondContact O-SG 3.04Å; F239-C243 VanDerWaalsContact O-SG 3.33Å |
| 240 | Y | 55.5 | Low | 56.3 | Low | 158 Ų | 158 | 75 Ų | 75 | 62% | 0.62 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -63.8 | -34.3 | 175.5 | -91.5 | -81.5 | 0 | 0 | 0 | 112.4 | V236 A237 L238 N244 | V236-Y240 HydrophobicContact CG1-CD2 3.59Å; V236-Y240 HydrophobicContact CG1-CE2 3.68Å; V236-Y240 WeakPolarHBondContact O-CB 3.45Å; V236-Y240 VanDerWaalsContact O-CD2 3.26Å; V236-Y240 WeakPolarHBondContact O-CD2 3.28Å; V236-Y240 PolarHBondContact O-N 3.12Å; A237-Y240 PolarHBondContact O-N 3.28Å; L238-Y240 VanDerWaalsContact C-N 3.33Å; L238-Y240 PolarHBondContact O-N 3Å; Y240-N244 WeakPolarHBondContact O-CB 3.48Å; Y240-N244 PolarHBondContact O-N 3Å |
| 241 | C | 57.7 | Low | 57.3 | Low | 44 Ų | 44 | 72.1 Ų | 72.1 | 30% | 0.297 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -68.9 | -46.8 | 175.5 | -169.6 | 0 | 0 | 0 | 0 | 112.1 | A237 L238 F239 N244 V247 | A237-C241 WeakPolarHBondContact O-CB 3.22Å; A237-C241 PolarHBondContact O-N 3.03Å; L238-C241 PolarHBondContact O-N 3.45Å; L238-C241 VanDerWaalsContact O-N 3.15Å; F239-C241 VanDerWaalsContact C-N 3.3Å; F239-C241 PolarHBondContact O-N 2.73Å; C241-N244 PolarHBondContact O-N 3.24Å; C241-V247 WeakPolarHBondContact O-CB 3.36Å |
| 242 | F | 56.1 | Low | 58.5 | Low | 102 Ų | 102 | 75.3 Ų | 75.3 | 45% | 0.447 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -75.9 | -27.3 | 178.8 | -71.4 | -65.5 | 0 | 0 | 0 | 113.7 | I29 L238 F239 Q248 | I29-F242 HydrophobicContact CD1-CZ 4.34Å; L238-F242 HydrophobicContact CB-CD2 4.42Å; L238-F242 HydrophobicContact CB-CE2 4.45Å; L238-F242 HydrophobicContact CD2-CE2 4.13Å; L238-F242 WeakPolarHBondContact O-CD2 3.28Å; L238-F242 PolarHBondContact O-N 2.84Å; F239-F242 PolarHBondContact O-N 3.36Å; F242-Q248 WeakPolarHBondContact O-CG 3.14Å; F242-Q248 PolarHBondContact O-NE2 2.9Å |
| 243 | C | 52.7 | Low | 59.9 | Low | 78 Ų | 78 | 77 Ų | 77 | 53% | 0.527 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -91.6 | -2.3 | 175 | -64.3 | 0 | 0 | 0 | 0 | 113.2 | F239 G245 | F239-C243 WeakPolarHBondContact O-CA 3.15Å; F239-C243 WeakPolarHBondContact O-CB 3.4Å; F239-C243 PolarHBondContact O-N 3.04Å; F239-C243 PolarHBondContact O-SG 3.04Å; F239-C243 VanDerWaalsContact O-SG 3.33Å; C243-G245 PolarHBondContact O-N 3.3Å; C243-G245 VanDerWaalsContact O-N 3.1Å |
| 244 | N | 63.6 | Low | 60.8 | Low | 67 Ų | 67 | 79.9 Ų | 79.9 | 36% | 0.358 | 40% | 0.404 | S | S | . | . | trans | -65.6 | 115.1 | 172.4 | -172.2 | -20.4 | 0 | 0 | 0 | 108.3 | Y240 C241 E246 V247 Q248 | Y240-N244 WeakPolarHBondContact O-CB 3.48Å; Y240-N244 PolarHBondContact O-N 3Å; C241-N244 PolarHBondContact O-N 3.24Å; N244-E246 PolarHBondContact O-N 2.83Å; N244-E246 WeakPolarHBondContact OD1-CB 3.2Å; N244-E246 PolarHBondContact OD1-N 3.18Å; N244-V247 HydrophobicContact CB-CB 4.2Å; N244-V247 HydrophobicContact CB-CG2 3.87Å; N244-V247 WeakPolarHBondContact O-CA 3.18Å; N244-V247 WeakPolarHBondContact O-CB 3.26Å; N244-V247 PolarHBondContact O-N 3.37Å; N244-Q248 PolarHBondContact O-N 3.48Å | ||
| 245 | G | 51.9 | Low | 62 | Low | 47 Ų | 47 | 82.6 Ų | 82.6 | 49% | 0.485 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -54.3 | -29.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | C243 L249 | C243-G245 PolarHBondContact O-N 3.3Å; C243-G245 VanDerWaalsContact O-N 3.1Å; G245-L249 WeakPolarHBondContact O-CB 3.36Å; G245-L249 PolarHBondContact O-N 2.93Å |
| 246 | E | 62.3 | Low | 63.3 | Low | 149 Ų | 149 | 83.6 Ų | 83.6 | 70% | 0.696 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -68.4 | -42.4 | 174 | -62.6 | -172.3 | 165.2 | 0 | 0 | 112.4 | N244 L249 A250 | N244-E246 PolarHBondContact O-N 2.83Å; N244-E246 WeakPolarHBondContact OD1-CB 3.2Å; N244-E246 PolarHBondContact OD1-N 3.18Å; E246-L249 PolarHBondContact O-N 2.79Å; E246-A250 VanDerWaalsContact O-CB 3.28Å; E246-A250 WeakPolarHBondContact O-CB 3.15Å; E246-A250 PolarHBondContact O-N 2.96Å |
| 247 | V | 57.3 | Low | 64.4 | Low | 53 Ų | 53 | 88.7 Ų | 88.7 | 32% | 0.321 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -68.6 | -43.5 | 177.9 | 178.1 | 0 | 0 | 0 | 0 | 109.8 | C241 N244 L249 A250 L251 | C241-V247 WeakPolarHBondContact O-CB 3.36Å; N244-V247 HydrophobicContact CB-CB 4.2Å; N244-V247 HydrophobicContact CB-CG2 3.87Å; N244-V247 WeakPolarHBondContact O-CA 3.18Å; N244-V247 WeakPolarHBondContact O-CB 3.26Å; N244-V247 PolarHBondContact O-N 3.37Å; V247-L249 VanDerWaalsContact C-N 3.35Å; V247-L249 PolarHBondContact O-N 3.39Å; V247-A250 PolarHBondContact O-N 2.82Å; V247-L251 VanDerWaalsContact O-CB 3.25Å; V247-L251 WeakPolarHBondContact O-CB 3.38Å; V247-L251 PolarHBondContact O-N 3.37Å |
| 248 | Q | 60.3 | Low | 65.3 | Low | 102 Ų | 102 | 94.1 Ų | 94.1 | 48% | 0.477 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.2 | -43.2 | 174.5 | -66.6 | -172.2 | -7.1 | 0 | 0 | 111.8 | F242 N244 L251 K252 | F242-Q248 WeakPolarHBondContact O-CG 3.14Å; F242-Q248 PolarHBondContact O-NE2 2.9Å; N244-Q248 PolarHBondContact O-N 3.48Å; Q248-L251 PolarHBondContact O-N 3.49Å; Q248-K252 VanDerWaalsContact O-CB 3.25Å; Q248-K252 WeakPolarHBondContact O-CB 3.44Å; Q248-K252 PolarHBondContact O-N 3.37Å |
| 249 | L | 71.8 | Confident | 66.3 | Low | 84 Ų | 84 | 101.1 Ų | 101.1 | 44% | 0.44 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.7 | -41.2 | 177.7 | -173.3 | 67.5 | 0 | 0 | 0 | 111.6 | G245 E246 V247 K252 R253 | G245-L249 WeakPolarHBondContact O-CB 3.36Å; G245-L249 PolarHBondContact O-N 2.93Å; E246-L249 PolarHBondContact O-N 2.79Å; V247-L249 VanDerWaalsContact C-N 3.35Å; V247-L249 PolarHBondContact O-N 3.39Å; L249-K252 PolarHBondContact O-N 2.78Å; L249-R253 WeakPolarHBondContact O-CB 3.39Å; L249-R253 VanDerWaalsContact O-CG 3.3Å; L249-R253 WeakPolarHBondContact O-CG 3.49Å; L249-R253 PolarHBondContact O-N 3.4Å |
| 250 | A | 70.9 | Confident | 66.9 | Low | 53 Ų | 53 | 102.6 Ų | 102.6 | 44% | 0.438 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.2 | -42.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | E246 V247 R253 Q254 | E246-A250 VanDerWaalsContact O-CB 3.28Å; E246-A250 WeakPolarHBondContact O-CB 3.15Å; E246-A250 PolarHBondContact O-N 2.96Å; V247-A250 PolarHBondContact O-N 2.82Å; A250-R253 PolarHBondContact O-N 3.19Å; A250-Q254 WeakPolarHBondContact O-CG 3.37Å; A250-Q254 PolarHBondContact O-N 3.45Å |
| 251 | L | 66.6 | Low | 66.9 | Low | 99 Ų | 99 | 104.6 Ų | 104.6 | 52% | 0.518 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.9 | -44.9 | 175.9 | -174.4 | 65 | 0 | 0 | 0 | 110.8 | V247 Q248 R253 Q254 I255 | V247-L251 VanDerWaalsContact O-CB 3.25Å; V247-L251 WeakPolarHBondContact O-CB 3.38Å; V247-L251 PolarHBondContact O-N 3.37Å; Q248-L251 PolarHBondContact O-N 3.49Å; L251-R253 PolarHBondContact O-N 3.3Å; L251-Q254 CarbonylContact O-C 3.6Å; L251-Q254 WeakPolarHBondContact O-CB 3.42Å; L251-Q254 PolarHBondContact O-N 3.26Å; L251-I255 HydrophobicContact CD1-CD1 4.45Å; L251-I255 HydrophobicContact CG-CD1 3.93Å; L251-I255 HydrophobicContact CG-CG1 4.49Å; L251-I255 WeakPolarHBondContact O-CG1 3.16Å; L251-I255 PolarHBondContact O-N 3.18Å |
| 252 | K | 74.6 | Confident | 66.6 | Low | 124 Ų | 124 | 109.6 Ų | 109.6 | 54% | 0.539 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -57.7 | -46.5 | 174.7 | -172 | 178.5 | 179 | -177.6 | 0 | 111.4 | Q248 L249 Q254 I255 E256 | Q248-K252 VanDerWaalsContact O-CB 3.25Å; Q248-K252 WeakPolarHBondContact O-CB 3.44Å; Q248-K252 PolarHBondContact O-N 3.37Å; L249-K252 PolarHBondContact O-N 2.78Å; K252-Q254 VanDerWaalsContact C-N 3.28Å; K252-Q254 PolarHBondContact O-N 3.11Å; K252-I255 PolarHBondContact O-N 3.11Å; K252-E256 WeakPolarHBondContact CE-OE1 3.23Å; K252-E256 WeakPolarHBondContact O-CB 3.19Å; K252-E256 WeakPolarHBondContact O-CG 3.39Å; K252-E256 PolarHBondContact O-N 2.98Å |
| 253 | R | 78.3 | Confident | 66.1 | Low | 145 Ų | 145 | 108.8 Ų | 108.8 | 55% | 0.547 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.5 | -29.6 | 174.9 | -72.9 | 175.9 | -176.3 | 178.8 | 2.4 | 113.5 | L249 A250 L251 R257 | L249-R253 WeakPolarHBondContact O-CB 3.39Å; L249-R253 VanDerWaalsContact O-CG 3.3Å; L249-R253 WeakPolarHBondContact O-CG 3.49Å; L249-R253 PolarHBondContact O-N 3.4Å; A250-R253 PolarHBondContact O-N 3.19Å; L251-R253 PolarHBondContact O-N 3.3Å; R253-R257 WeakPolarHBondContact O-CB 3.33Å; R253-R257 WeakPolarHBondContact O-CG 3.28Å; R253-R257 PolarHBondContact O-N 2.96Å; R253-R257 PolarHBondContact O-NE 2.89Å |
| 254 | Q | 74.2 | Confident | 65.9 | Low | 72 Ų | 72 | 113 Ų | 113 | 34% | 0.336 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -75.4 | -43.2 | 173.6 | -74.3 | -70.6 | 3.9 | 0 | 0 | 111.3 | A250 L251 K252 E256 R257 L258 | A250-Q254 WeakPolarHBondContact O-CG 3.37Å; A250-Q254 PolarHBondContact O-N 3.45Å; L251-Q254 CarbonylContact O-C 3.6Å; L251-Q254 WeakPolarHBondContact O-CB 3.42Å; L251-Q254 PolarHBondContact O-N 3.26Å; K252-Q254 VanDerWaalsContact C-N 3.28Å; K252-Q254 PolarHBondContact O-N 3.11Å; Q254-E256 VanDerWaalsContact C-N 3.34Å; Q254-E256 PolarHBondContact O-N 3.23Å; Q254-R257 PolarHBondContact O-N 3.26Å; Q254-L258 WeakPolarHBondContact O-CB 3.49Å; Q254-L258 WeakPolarHBondContact O-CG 3.34Å; Q254-L258 PolarHBondContact O-N 3.2Å |
| 255 | I | 76.7 | Confident | 65.3 | Low | 85 Ų | 85 | 118.5 Ų | 118.5 | 44% | 0.436 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.5 | -43.3 | 175.4 | -67.7 | 167.1 | 0 | 0 | 0 | 110.5 | L251 K252 R257 L258 R259 | L251-I255 HydrophobicContact CD1-CD1 4.45Å; L251-I255 HydrophobicContact CG-CD1 3.93Å; L251-I255 HydrophobicContact CG-CG1 4.49Å; L251-I255 WeakPolarHBondContact O-CG1 3.16Å; L251-I255 PolarHBondContact O-N 3.18Å; K252-I255 PolarHBondContact O-N 3.11Å; I255-R257 PolarHBondContact O-N 3.09Å; I255-L258 PolarHBondContact O-N 3.21Å; I255-R259 WeakPolarHBondContact O-CB 3.33Å; I255-R259 PolarHBondContact O-N 2.8Å |
| 256 | E | 80 | Confident | 65.2 | Low | 86 Ų | 86 | 123 Ų | 123 | 40% | 0.402 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -62.9 | -40.8 | 175.5 | -75 | 170.9 | -177 | 0 | 0 | 111.8 | K252 Q254 R259 H260 | K252-E256 WeakPolarHBondContact CE-OE1 3.23Å; K252-E256 WeakPolarHBondContact O-CB 3.19Å; K252-E256 WeakPolarHBondContact O-CG 3.39Å; K252-E256 PolarHBondContact O-N 2.98Å; Q254-E256 VanDerWaalsContact C-N 3.34Å; Q254-E256 PolarHBondContact O-N 3.23Å; E256-R259 PolarHBondContact O-N 2.72Å; E256-H260 PolarHBondContact O-N 2.97Å |
| 257 | R | 77 | Confident | 64.2 | Low | 145 Ų | 145 | 121.2 Ų | 121.2 | 55% | 0.547 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65.1 | -40.5 | 173.5 | -85.5 | -173.2 | -76.8 | -175.3 | -4.7 | 112.8 | R253 Q254 I255 H260 Y261 | R253-R257 WeakPolarHBondContact O-CB 3.33Å; R253-R257 WeakPolarHBondContact O-CG 3.28Å; R253-R257 PolarHBondContact O-N 2.96Å; R253-R257 PolarHBondContact O-NE 2.89Å; Q254-R257 PolarHBondContact O-N 3.26Å; I255-R257 PolarHBondContact O-N 3.09Å; R257-H260 PolarHBondContact O-N 3.3Å; R257-Y261 PolarHBondContact O-N 3.37Å |
| 258 | L | 73.3 | Confident | 63.7 | Low | 118 Ų | 118 | 128.1 Ų | 128.1 | 62% | 0.618 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -67.8 | -36.9 | 176.2 | -72.7 | 169.3 | 0 | 0 | 0 | 111.7 | Q254 I255 H260 Y261 Q262 | Q254-L258 WeakPolarHBondContact O-CB 3.49Å; Q254-L258 WeakPolarHBondContact O-CG 3.34Å; Q254-L258 PolarHBondContact O-N 3.2Å; I255-L258 PolarHBondContact O-N 3.21Å; L258-H260 VanDerWaalsContact C-N 3.34Å; L258-Y261 CarbonylContact O-C 3.59Å; L258-Y261 PolarHBondContact O-N 3.06Å; L258-Q262 PolarHBondContact O-N 2.99Å |
| 259 | R | 76.4 | Confident | 63 | Low | 174 Ų | 174 | 134.9 Ų | 134.9 | 66% | 0.657 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -65.1 | -37 | 172.8 | -171.3 | -179.2 | -74.4 | 170.6 | -5.2 | 111.6 | I255 E256 | I255-R259 WeakPolarHBondContact O-CB 3.33Å; I255-R259 PolarHBondContact O-N 2.8Å; E256-R259 PolarHBondContact O-N 2.72Å |
| 260 | H | 67.1 | Low | 61.7 | Low | 170 Ų | 170 | 135 Ų | 135 | 79% | 0.787 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -75.2 | -20.9 | 173.4 | -94.1 | -67.6 | 0 | 0 | 0 | 114.4 | E256 R257 L258 | E256-H260 PolarHBondContact O-N 2.97Å; R257-H260 PolarHBondContact O-N 3.3Å; L258-H260 VanDerWaalsContact C-N 3.34Å |
| 261 | Y | 57 | Low | 60.6 | Low | 199 Ų | 199 | 137.8 Ų | 137.8 | 78% | 0.78 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -91.7 | -7.1 | 174.2 | -110.1 | -93.2 | 0 | 0 | 0 | 113.7 | R257 L258 | R257-Y261 PolarHBondContact O-N 3.37Å; L258-Y261 CarbonylContact O-C 3.59Å; L258-Y261 PolarHBondContact O-N 3.06Å |
| 262 | Q | 50.5 | Low | 59.6 | Low | 150 Ų | 150 | 137.8 Ų | 137.8 | 70% | 0.701 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -62.9 | 123.2 | 165.6 | -100.8 | -177 | -35.5 | 0 | 0 | 108.1 | L258 | L258-Q262 PolarHBondContact O-N 2.99Š|
| 263 | P | 45.8 | Very low | 58.4 | Low | 84 Ų | 84 | 136 Ų | 136 | 55% | 0.545 | 65% | 0.652 | S | S | . | * | trans | -78.2 | 154.9 | -141.8 | -9.6 | 24.9 | 0 | 0 | 0 | 111 | F265 | P263-F265 HydrophobicContact CB-CB 3.96Å; P263-F265 HydrophobicContact CB-CD2 3.6Å; P263-F265 HydrophobicContact CB-CG 4.23Å; P263-F265 HydrophobicContact CG-CB 4.48Å; P263-F265 HydrophobicContact CG-CD2 4.29Å; P263-F265 PolarHBondContact O-N 3.13Å | ||
| 264 | L | 48.2 | Very low | 57.1 | Low | 168 Ų | 168 | 135.3 Ų | 135.3 | 88% | 0.88 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -45.8 | 24.9 | 149.9 | -126.9 | 105.3 | 0 | 0 | 0 | 115.4 | ||
| 265 | F | 50.1 | Low | 56 | Low | 182 Ų | 182 | 135.9 Ų | 135.9 | 80% | 0.798 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | -6.6 | -178.3 | -99 | -92.1 | 0 | 0 | 0 | 114.5 | P263 | P263-F265 HydrophobicContact CB-CB 3.96Å; P263-F265 HydrophobicContact CB-CD2 3.6Å; P263-F265 HydrophobicContact CB-CG 4.23Å; P263-F265 HydrophobicContact CG-CB 4.48Å; P263-F265 HydrophobicContact CG-CD2 4.29Å; P263-F265 PolarHBondContact O-N 3.13Å |
| 266 | V | 51.3 | Low | 54.9 | Low | 140 Ų | 140 | 135.6 Ų | 135.6 | 85% | 0.848 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -91.3 | -19.1 | 175.6 | 178.3 | 0 | 0 | 0 | 0 | 113 | ||
| 267 | N | 41.5 | Very low | 53.7 | Low | 112 Ų | 112 | 139.5 Ų | 139.5 | 60% | 0.599 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -107.9 | 15 | -170.8 | -140.9 | 1.7 | 0 | 0 | 0 | 116.5 | R269 | N267-R269 VanDerWaalsContact C-N 3.26Å; N267-R269 PolarHBondContact O-N 3.02Å |
| 268 | K | 45.1 | Very low | 52.6 | Low | 198 Ų | 198 | 139.9 Ų | 139.9 | 86% | 0.861 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | 5.9 | -179.3 | -131.9 | -179.2 | -173.6 | -175.8 | 0 | 114.9 | ||
| 269 | R | 45.6 | Very low | 51.7 | Low | 244 Ų | 244 | 140.6 Ų | 140.6 | 92% | 0.921 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.9 | -4.1 | -174.9 | -102.3 | -178.2 | -172.6 | 172.4 | 2.6 | 117.1 | N267 | N267-R269 VanDerWaalsContact C-N 3.26Å; N267-R269 PolarHBondContact O-N 3.02Å |
| 270 | S | 45.4 | Very low | 50.6 | Low | 88 Ų | 88 | 141.1 Ų | 141.1 | 62% | 0.615 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -121.2 | -5.6 | -173.4 | -166.6 | 0 | 0 | 0 | 0 | 116.5 | ||
| 271 | H | 47.2 | Very low | 50 | Low | 110 Ų | 110 | 142 Ų | 142 | 51% | 0.509 | 69% | 0.686 | S | S | . | * | trans | -104.7 | 3.7 | -169.3 | -121.5 | -72.2 | 0 | 0 | 0 | 116.3 | S273 Q274 | H271-S273 PolarHBondContact O-N 3.26Å; H271-Q274 PolarHBondContact CE1-OE1 3.27Å; H271-Q274 VanDerWaalsContact CE1-OE1 3.3Å | ||
| 272 | S | 47.3 | Very low | 49.6 | Very low | 99 Ų | 99 | 139.5 Ų | 139.5 | 69% | 0.692 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | -6 | 179.2 | 57 | 0 | 0 | 0 | 0 | 114.6 | ||
| 273 | S | 47.9 | Very low | 49.9 | Very low | 87 Ų | 87 | 135.9 Ų | 135.9 | 61% | 0.608 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.9 | -13 | -174.2 | -38.9 | 0 | 0 | 0 | 0 | 114.8 | H271 | H271-S273 PolarHBondContact O-N 3.26Š|
| 274 | Q | 50.9 | Low | 50.5 | Low | 130 Ų | 130 | 138.1 Ų | 138.1 | 61% | 0.607 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | -30.5 | -175.7 | -80.2 | -175.3 | -4.7 | 0 | 0 | 114 | H271 T276 K277 F278 | H271-Q274 PolarHBondContact CE1-OE1 3.27Å; H271-Q274 VanDerWaalsContact CE1-OE1 3.3Å; Q274-T276 VanDerWaalsContact C-N 3.3Å; Q274-T276 PolarHBondContact O-N 3.45Å; Q274-K277 PolarHBondContact O-N 3.01Å; Q274-F278 PolarHBondContact O-N 2.98Å |
| 275 | T | 52 | Low | 50.8 | Low | 84 Ų | 84 | 136.4 Ų | 136.4 | 52% | 0.515 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -64 | -33.8 | -178.9 | 5.9 | 0 | 0 | 0 | 0 | 112.6 | Q279 | T275-Q279 PolarHBondContact O-N 2.81Å; T275-Q279 VanDerWaalsContact O-N 3.12Å |
| 276 | T | 53.3 | Low | 51 | Low | 80 Ų | 80 | 131.2 Ų | 131.2 | 49% | 0.491 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -72.4 | -26.7 | 176.7 | 18.9 | 0 | 0 | 0 | 0 | 113.9 | Q274 R280 | Q274-T276 VanDerWaalsContact C-N 3.3Å; Q274-T276 PolarHBondContact O-N 3.45Å; T276-R280 WeakPolarHBondContact O-CG 3.42Å; T276-R280 PolarHBondContact O-N 3.4Å |
| 277 | K | 54.6 | Low | 51.2 | Low | 168 Ų | 168 | 131.5 Ų | 131.5 | 73% | 0.73 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -79.5 | -35.9 | 174.6 | -85.1 | -174.3 | 176.7 | 179.7 | 0 | 112.3 | Q274 R281 | Q274-K277 PolarHBondContact O-N 3.01Å; K277-R281 PolarHBondContact O-N 3.46Å |
| 278 | F | 54.3 | Low | 51.8 | Low | 152 Ų | 152 | 131.9 Ų | 131.9 | 67% | 0.667 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -73.1 | -39.4 | 179 | -152.3 | -92.4 | 0 | 0 | 0 | 112.1 | Q274 R281 Y282 | Q274-F278 PolarHBondContact O-N 2.98Å; F278-R281 PolarHBondContact O-N 2.89Å; F278-Y282 PolarHBondContact O-N 3.35Å; F278-Y282 VanDerWaalsContact O-N 3.09Å |
| 279 | Q | 54.4 | Low | 52.2 | Low | 134 Ų | 134 | 126.9 Ų | 126.9 | 63% | 0.626 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -65.8 | -36.9 | 174.3 | -95.4 | 173.6 | -81.8 | 0 | 0 | 113.1 | T275 Y282 S283 | T275-Q279 PolarHBondContact O-N 2.81Å; T275-Q279 VanDerWaalsContact O-N 3.12Å; Q279-Y282 PolarHBondContact O-N 3.49Å; Q279-S283 WeakPolarHBondContact O-CB 3.43Å; Q279-S283 PolarHBondContact O-N 3.48Å; Q279-S283 PolarHBondContact O-OG 3.31Å; Q279-S283 VanDerWaalsContact O-OG 3.14Å |
| 280 | R | 53.7 | Low | 52.3 | Low | 185 Ų | 185 | 124.2 Ų | 124.2 | 70% | 0.698 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -65.5 | -39.4 | 175.2 | -79.1 | -173.3 | -160.3 | 172.7 | 5.1 | 112.7 | T276 Q284 | T276-R280 WeakPolarHBondContact O-CG 3.42Å; T276-R280 PolarHBondContact O-N 3.4Å; R280-Q284 PolarHBondContact O-N 2.95Å; R280-Q284 VanDerWaalsContact O-N 3.1Å |
| 281 | R | 55 | Low | 52.4 | Low | 187 Ų | 187 | 129.8 Ų | 129.8 | 71% | 0.706 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -64.5 | -43.7 | 176.3 | -113.9 | 179.9 | -153.8 | 176.4 | 4 | 112.2 | K277 F278 S283 Q284 E285 | K277-R281 PolarHBondContact O-N 3.46Å; F278-R281 PolarHBondContact O-N 2.89Å; R281-S283 PolarHBondContact O-N 3.47Å; R281-Q284 PolarHBondContact O-N 2.88Å; R281-E285 PolarHBondContact O-N 3.4Å |
| 282 | Y | 48.2 | Very low | 52.7 | Low | 148 Ų | 148 | 130.8 Ų | 130.8 | 58% | 0.58 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -67.8 | -36 | -179.8 | -147 | -89 | 0 | 0 | 0 | 112.6 | F278 Q279 T286 | F278-Y282 PolarHBondContact O-N 3.35Å; F278-Y282 VanDerWaalsContact O-N 3.09Å; Q279-Y282 PolarHBondContact O-N 3.49Å; Y282-T286 PolarHBondContact O-N 3.43Å; Y282-T286 PolarHBondContact O-OG1 3.03Å |
| 283 | S | 55.6 | Low | 53 | Low | 73 Ų | 73 | 132.5 Ų | 132.5 | 51% | 0.51 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -71.7 | -27.1 | 174.6 | -62.8 | 0 | 0 | 0 | 0 | 113.6 | Q279 R281 T286 M287 | Q279-S283 WeakPolarHBondContact O-CB 3.43Å; Q279-S283 PolarHBondContact O-N 3.48Å; Q279-S283 PolarHBondContact O-OG 3.31Å; Q279-S283 VanDerWaalsContact O-OG 3.14Å; R281-S283 PolarHBondContact O-N 3.47Å; S283-T286 WeakPolarHBondContact CA-OG1 3.33Å; S283-M287 WeakPolarHBondContact O-CG 3.48Å; S283-M287 PolarHBondContact O-N 3.09Å |
| 284 | Q | 58.1 | Low | 53.3 | Low | 131 Ų | 131 | 135 Ų | 135 | 61% | 0.612 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -74.3 | -44.2 | 173.4 | -118.6 | 161 | -28.7 | 0 | 0 | 111.2 | R280 R281 T286 M287 D288 | R280-Q284 PolarHBondContact O-N 2.95Å; R280-Q284 VanDerWaalsContact O-N 3.1Å; R281-Q284 PolarHBondContact O-N 2.88Å; Q284-T286 VanDerWaalsContact C-N 3.27Å; Q284-T286 PolarHBondContact O-N 3.47Å; Q284-M287 PolarHBondContact O-N 3.44Å; Q284-D288 PolarHBondContact O-N 2.9Å |
| 285 | E | 55.8 | Low | 53.4 | Low | 132 Ų | 132 | 135.3 Ų | 135.3 | 62% | 0.617 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -65.7 | -26.1 | 177.6 | -73.2 | 176.4 | 157 | 0 | 0 | 113.5 | R281 | R281-E285 PolarHBondContact O-N 3.4Å |
| 286 | T | 54 | Low | 53.5 | Low | 74 Ų | 74 | 138.5 Ų | 138.5 | 45% | 0.454 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -84.9 | -15 | 175.9 | 30.4 | 0 | 0 | 0 | 0 | 114.8 | Y282 S283 Q284 | Y282-T286 PolarHBondContact O-N 3.43Å; Y282-T286 PolarHBondContact O-OG1 3.03Å; S283-T286 WeakPolarHBondContact CA-OG1 3.33Å; Q284-T286 VanDerWaalsContact C-N 3.27Å; Q284-T286 PolarHBondContact O-N 3.47Å |
| 287 | M | 56.3 | Low | 53.5 | Low | 146 Ų | 146 | 142.4 Ų | 142.4 | 72% | 0.719 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -85.3 | -37.2 | 171.5 | -73.4 | -113 | -155.1 | 0 | 0 | 111.3 | S283 Q284 S289 K290 | S283-M287 WeakPolarHBondContact O-CG 3.48Å; S283-M287 PolarHBondContact O-N 3.09Å; Q284-M287 PolarHBondContact O-N 3.44Å; M287-S289 VanDerWaalsContact C-N 3.26Å; M287-S289 PolarHBondContact O-N 3.21Å; M287-K290 PolarHBondContact O-N 3.2Å |
| 288 | D | 54.2 | Low | 53.4 | Low | 119 Ų | 119 | 140.6 Ų | 140.6 | 64% | 0.636 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -71.9 | -18.6 | 179.4 | -69.5 | -23.8 | 0 | 0 | 0 | 113 | Q284 K290 | Q284-D288 PolarHBondContact O-N 2.9Å; D288-K290 VanDerWaalsContact C-N 3.33Å |
| 289 | S | 52.6 | Low | 53.4 | Low | 93 Ų | 93 | 139.7 Ų | 139.7 | 65% | 0.65 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | 5.9 | 174.7 | 105.4 | 0 | 0 | 0 | 0 | 114.4 | M287 | M287-S289 VanDerWaalsContact C-N 3.26Å; M287-S289 PolarHBondContact O-N 3.21Å |
| 290 | K | 48 | Very low | 53.3 | Low | 188 Ų | 188 | 140.2 Ų | 140.2 | 82% | 0.817 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120 | 15.2 | -178.9 | -85.7 | -167.4 | 175.3 | -165.1 | 0 | 114.3 | M287 D288 | M287-K290 PolarHBondContact O-N 3.2Å; D288-K290 VanDerWaalsContact C-N 3.33Å |
| 291 | I | 47.8 | Very low | 53.2 | Low | 206 Ų | 206 | 136.1 Ų | 136.1 | 100% | 1.056 | 67% | 0.669 | S | S | * | * | trans | -108.2 | 0 | 166.5 | -58.2 | 175.4 | 0 | 0 | 0 | 107.7 |
Retrieved 291 of 291 residues in 249.4 ms
(Link to these results)