| 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 | 63.6 | Low | 71 | Confident | 192 Ų | 192 | 117.4 Ų | 117.4 | 95% | 0.946 | 61% | 0.61 | S | S | * | * | 0 | -40.4 | 0 | -107.8 | 173.4 | -178.6 | 0 | 0 | 112.6 | N3 I4 F5 | M1-N3 PolarHBondContact O-N 3.23Å; M1-I4 PolarHBondContact O-N 3Å; M1-F5 PolarHBondContact O-N 2.83Å | |||
| 2 | S | 69.1 | Low | 71.5 | Confident | 82 Ų | 82 | 115 Ų | 115 | 57% | 0.573 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -55.4 | -49.6 | 176.4 | 52.7 | 0 | 0 | 0 | 0 | 113.8 | I4 F5 E6 | S2-I4 VanDerWaalsContact C-N 3.27Å; S2-I4 PolarHBondContact O-N 3.1Å; S2-F5 PolarHBondContact O-N 3.38Å; S2-F5 VanDerWaalsContact O-N 3.14Å; S2-E6 WeakPolarHBondContact O-CB 3.39Å; S2-E6 PolarHBondContact O-N 3.35Å |
| 3 | N | 73.6 | Confident | 72.3 | Confident | 125 Ų | 125 | 113.2 Ų | 113.2 | 67% | 0.668 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -63 | -30.9 | -177.6 | -65.3 | -1.4 | 0 | 0 | 0 | 113.5 | M1 S7 | M1-N3 PolarHBondContact O-N 3.23Å; N3-S7 WeakPolarHBondContact O-CB 3.47Å; N3-S7 PolarHBondContact O-N 2.97Å |
| 4 | I | 74.7 | Confident | 73.3 | Confident | 122 Ų | 122 | 115.2 Ų | 115.2 | 63% | 0.626 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -73.4 | -44.2 | 176.7 | -63.6 | 173.6 | 0 | 0 | 0 | 109.7 | M1 S2 E6 S7 N8 | M1-I4 PolarHBondContact O-N 3Å; S2-I4 VanDerWaalsContact C-N 3.27Å; S2-I4 PolarHBondContact O-N 3.1Å; I4-E6 VanDerWaalsContact C-N 3.34Å; I4-E6 PolarHBondContact O-N 3.23Å; I4-S7 PolarHBondContact O-N 2.94Å; I4-N8 WeakPolarHBondContact O-CB 3.33Å; I4-N8 PolarHBondContact O-N 3.48Å |
| 5 | F | 69.4 | Low | 74.1 | Confident | 158 Ų | 158 | 114.9 Ų | 114.9 | 69% | 0.693 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -62.4 | -41.2 | 176.2 | -98.9 | -80.9 | 0 | 0 | 0 | 112.4 | M1 S2 N8 K9 | M1-F5 PolarHBondContact O-N 2.83Å; S2-F5 PolarHBondContact O-N 3.38Å; S2-F5 VanDerWaalsContact O-N 3.14Å; F5-N8 PolarHBondContact O-N 3.22Å; F5-K9 WeakPolarHBondContact O-CB 3.24Å; F5-K9 PolarHBondContact O-N 2.91Å |
| 6 | E | 71.7 | Confident | 74.8 | Confident | 124 Ų | 124 | 110.2 Ų | 110.2 | 58% | 0.579 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -70.9 | -40.1 | 179.9 | -162.2 | 151.9 | -154.8 | 0 | 0 | 111.9 | S2 I4 N8 K9 N10 | S2-E6 WeakPolarHBondContact O-CB 3.39Å; S2-E6 PolarHBondContact O-N 3.35Å; I4-E6 VanDerWaalsContact C-N 3.34Å; I4-E6 PolarHBondContact O-N 3.23Å; E6-N8 VanDerWaalsContact C-N 3.34Å; E6-N8 PolarHBondContact O-N 2.95Å; E6-K9 PolarHBondContact O-N 3.44Å; E6-N10 WeakPolarHBondContact O-CB 3.49Å; E6-N10 PolarHBondContact O-N 3.45Å |
| 7 | S | 71.9 | Confident | 75.5 | Confident | 72 Ų | 72 | 114 Ų | 114 | 50% | 0.503 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -60.1 | -43.5 | 170.5 | -179.6 | 0 | 0 | 0 | 0 | 111.8 | N3 I4 K9 N10 T11 | N3-S7 WeakPolarHBondContact O-CB 3.47Å; N3-S7 PolarHBondContact O-N 2.97Å; I4-S7 PolarHBondContact O-N 2.94Å; S7-K9 VanDerWaalsContact C-N 3.34Å; S7-N10 PolarHBondContact O-N 2.99Å; S7-T11 PolarHBondContact O-N 3.14Å; S7-T11 PolarHBondContact O-OG1 2.82Å |
| 8 | N | 70.6 | Confident | 76.2 | Confident | 104 Ų | 104 | 114.6 Ų | 114.6 | 56% | 0.556 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -70.4 | -31.8 | -178.2 | -137 | 4.2 | 0 | 0 | 0 | 112.6 | I4 F5 E6 T11 T12 | I4-N8 WeakPolarHBondContact O-CB 3.33Å; I4-N8 PolarHBondContact O-N 3.48Å; F5-N8 PolarHBondContact O-N 3.22Å; E6-N8 VanDerWaalsContact C-N 3.34Å; E6-N8 PolarHBondContact O-N 2.95Å; N8-T11 VanDerWaalsContact CA-OG1 3.3Å; N8-T11 WeakPolarHBondContact CA-OG1 3.38Å; N8-T11 PolarHBondContact O-OG1 3.43Å; N8-T12 PolarHBondContact O-N 3.45Å; N8-T12 VanDerWaalsContact O-N 3.13Å; N8-T12 PolarHBondContact O-OG1 3.44Å |
| 9 | K | 69.8 | Low | 76.8 | Confident | 152 Ų | 152 | 113.6 Ų | 113.6 | 66% | 0.661 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -71.6 | -39.1 | 174.9 | -150.3 | 178.9 | -171.9 | -177.1 | 0 | 111.3 | F5 E6 S7 T12 T13 | F5-K9 WeakPolarHBondContact O-CB 3.24Å; F5-K9 PolarHBondContact O-N 2.91Å; E6-K9 PolarHBondContact O-N 3.44Å; S7-K9 VanDerWaalsContact C-N 3.34Å; K9-T12 WeakPolarHBondContact CA-OG1 3.48Å; K9-T12 PolarHBondContact O-OG1 3.42Å; K9-T13 WeakPolarHBondContact O-CB 3.29Å; K9-T13 PolarHBondContact O-N 3.17Å; K9-T13 PolarHBondContact O-OG1 3.41Å |
| 10 | N | 72.5 | Confident | 77.1 | Confident | 101 Ų | 101 | 113.5 Ų | 113.5 | 54% | 0.54 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -66.3 | -45.3 | 175.2 | -75.1 | -13 | 0 | 0 | 0 | 111.6 | E6 S7 T13 E14 | E6-N10 WeakPolarHBondContact O-CB 3.49Å; E6-N10 PolarHBondContact O-N 3.45Å; S7-N10 PolarHBondContact O-N 2.99Å; N10-T13 PolarHBondContact O-N 2.86Å; N10-E14 WeakPolarHBondContact O-CG 3.44Å; N10-E14 PolarHBondContact O-N 2.94Å |
| 11 | T | 74.5 | Confident | 77.6 | Confident | 59 Ų | 59 | 111.7 Ų | 111.7 | 36% | 0.362 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -61.8 | -46.5 | 177 | 40.5 | 0 | 0 | 0 | 0 | 112.2 | S7 N8 T13 E14 D15 | S7-T11 PolarHBondContact O-N 3.14Å; S7-T11 PolarHBondContact O-OG1 2.82Å; N8-T11 VanDerWaalsContact CA-OG1 3.3Å; N8-T11 WeakPolarHBondContact CA-OG1 3.38Å; N8-T11 PolarHBondContact O-OG1 3.43Å; T11-T13 VanDerWaalsContact C-N 3.27Å; T11-T13 PolarHBondContact O-N 3.38Å; T11-E14 PolarHBondContact O-N 3.5Å; T11-D15 WeakPolarHBondContact O-CB 3.49Å; T11-D15 VanDerWaalsContact O-CG 3.32Å; T11-D15 PolarHBondContact O-N 3.04Å |
| 12 | T | 76.7 | Confident | 78.8 | Confident | 89 Ų | 89 | 107.9 Ų | 107.9 | 55% | 0.546 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62 | -33.6 | 175.7 | 33.7 | 0 | 0 | 0 | 0 | 113.1 | N8 K9 G16 | N8-T12 PolarHBondContact O-N 3.45Å; N8-T12 VanDerWaalsContact O-N 3.13Å; N8-T12 PolarHBondContact O-OG1 3.44Å; K9-T12 WeakPolarHBondContact CA-OG1 3.48Å; K9-T12 PolarHBondContact O-OG1 3.42Å; T12-G16 PolarHBondContact O-N 3.06Å; T12-G16 VanDerWaalsContact O-N 3.08Å |
| 13 | T | 82.1 | Confident | 79.6 | Confident | 92 Ų | 92 | 107.8 Ų | 107.8 | 56% | 0.564 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -72 | -39.1 | 176.1 | -51.3 | 0 | 0 | 0 | 0 | 111.6 | K9 N10 T11 R17 | K9-T13 WeakPolarHBondContact O-CB 3.29Å; K9-T13 PolarHBondContact O-N 3.17Å; K9-T13 PolarHBondContact O-OG1 3.41Å; N10-T13 PolarHBondContact O-N 2.86Å; T11-T13 VanDerWaalsContact C-N 3.27Å; T11-T13 PolarHBondContact O-N 3.38Å; T13-R17 WeakPolarHBondContact O-CB 3.4Å; T13-R17 PolarHBondContact O-N 2.98Å |
| 14 | E | 86 | Confident | 80.2 | Confident | 141 Ų | 141 | 102.3 Ų | 102.3 | 66% | 0.659 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.6 | -46.1 | 174.5 | -74.5 | -156.3 | 144.7 | 0 | 0 | 112.1 | N10 T11 G16 R17 L18 | N10-E14 WeakPolarHBondContact O-CG 3.44Å; N10-E14 PolarHBondContact O-N 2.94Å; T11-E14 PolarHBondContact O-N 3.5Å; E14-G16 VanDerWaalsContact C-N 3.32Å; E14-G16 PolarHBondContact O-N 3.43Å; E14-R17 PolarHBondContact O-N 3.16Å; E14-R17 VanDerWaalsContact O-N 3.15Å; E14-L18 WeakPolarHBondContact O-CB 3.37Å; E14-L18 PolarHBondContact O-N 3.04Å |
| 15 | D | 85.8 | Confident | 80.8 | Confident | 110 Ų | 110 | 101.1 Ų | 101.1 | 59% | 0.588 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -58.6 | -45.4 | 176.6 | -71.2 | -23.4 | 0 | 0 | 0 | 110.9 | T11 R17 L18 L19 | T11-D15 WeakPolarHBondContact O-CB 3.49Å; T11-D15 VanDerWaalsContact O-CG 3.32Å; T11-D15 PolarHBondContact O-N 3.04Å; D15-R17 PolarHBondContact O-N 3.26Å; D15-L18 PolarHBondContact O-N 3.46Å; D15-L19 VanDerWaalsContact O-CB 3.3Å; D15-L19 WeakPolarHBondContact O-CB 3.26Å; D15-L19 PolarHBondContact O-N 3.14Å |
| 16 | G | 85.6 | Confident | 81.7 | Confident | 40 Ų | 40 | 97.6 Ų | 97.6 | 41% | 0.412 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.4 | -40.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | T12 E14 Y20 | T12-G16 PolarHBondContact O-N 3.06Å; T12-G16 VanDerWaalsContact O-N 3.08Å; E14-G16 VanDerWaalsContact C-N 3.32Å; E14-G16 PolarHBondContact O-N 3.43Å; G16-Y20 WeakPolarHBondContact O-CB 3.27Å; G16-Y20 PolarHBondContact O-N 2.94Å |
| 17 | R | 85.9 | Confident | 82.4 | Confident | 175 Ų | 175 | 92.9 Ų | 92.9 | 66% | 0.66 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -68.5 | -39.9 | 177.5 | -170.9 | 177.5 | -178.5 | -150.4 | 1.1 | 112.1 | T13 E14 D15 Y20 N21 | T13-R17 WeakPolarHBondContact O-CB 3.4Å; T13-R17 PolarHBondContact O-N 2.98Å; E14-R17 PolarHBondContact O-N 3.16Å; E14-R17 VanDerWaalsContact O-N 3.15Å; D15-R17 PolarHBondContact O-N 3.26Å; R17-Y20 PolarHBondContact O-N 3.26Å; R17-N21 WeakPolarHBondContact O-CB 3.35Å; R17-N21 PolarHBondContact O-N 3.31Å; R17-N21 PolarHBondContact O-ND2 3.33Å |
| 18 | L | 88.8 | Confident | 83.4 | Confident | 124 Ų | 124 | 90.6 Ų | 90.6 | 65% | 0.649 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -66.6 | -43.2 | 178.7 | -159.8 | 149.5 | 0 | 0 | 0 | 110.5 | E14 D15 N21 F22 | E14-L18 WeakPolarHBondContact O-CB 3.37Å; E14-L18 PolarHBondContact O-N 3.04Å; D15-L18 PolarHBondContact O-N 3.46Å; L18-N21 PolarHBondContact O-N 3.26Å; L18-F22 WeakPolarHBondContact O-CB 3.47Å; L18-F22 PolarHBondContact O-N 3.2Å |
| 19 | L | 86.2 | Confident | 84.4 | Confident | 97 Ų | 97 | 90.5 Ų | 90.5 | 51% | 0.508 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -60.1 | -47.6 | 173.5 | -170.1 | 74.5 | 0 | 0 | 0 | 111.6 | D15 N21 F22 F23 | D15-L19 VanDerWaalsContact O-CB 3.3Å; D15-L19 WeakPolarHBondContact O-CB 3.26Å; D15-L19 PolarHBondContact O-N 3.14Å; L19-N21 PolarHBondContact O-N 3.45Å; L19-F22 PolarHBondContact O-N 2.89Å; L19-F23 HydrophobicContact CD1-CD2 4.15Å; L19-F23 HydrophobicContact CD1-CE2 3.53Å; L19-F23 HydrophobicContact CD1-CZ 4.28Å; L19-F23 HydrophobicContact CD2-CE2 3.97Å; L19-F23 HydrophobicContact CG-CD2 3.77Å; L19-F23 HydrophobicContact CG-CE2 3.48Å; L19-F23 VanDerWaalsContact CG-CE2 3.48Å; L19-F23 WeakPolarHBondContact O-CD2 3.4Å; L19-F23 PolarHBondContact O-N 2.89Å |
| 20 | Y | 84.5 | Confident | 85.3 | Confident | 110 Ų | 110 | 84.5 Ų | 84.5 | 43% | 0.431 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -59.8 | -44.3 | 176.5 | 173.4 | -92.6 | 0 | 0 | 0 | 112.4 | G16 R17 F23 S24 | G16-Y20 WeakPolarHBondContact O-CB 3.27Å; G16-Y20 PolarHBondContact O-N 2.94Å; R17-Y20 PolarHBondContact O-N 3.26Å; Y20-F23 PolarHBondContact O-N 3.1Å; Y20-S24 VanDerWaalsContact O-CB 3.32Å; Y20-S24 WeakPolarHBondContact O-CB 3.39Å; Y20-S24 PolarHBondContact O-N 3.43Å; Y20-S24 PolarHBondContact O-OG 3.26Å |
| 21 | N | 87 | Confident | 86.1 | Confident | 76 Ų | 76 | 80.8 Ų | 80.8 | 41% | 0.406 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.1 | -41.7 | 177.6 | -73.2 | -16.9 | 0 | 0 | 0 | 111.5 | R17 L18 L19 S24 L25 | R17-N21 WeakPolarHBondContact O-CB 3.35Å; R17-N21 PolarHBondContact O-N 3.31Å; R17-N21 PolarHBondContact O-ND2 3.33Å; L18-N21 PolarHBondContact O-N 3.26Å; L19-N21 PolarHBondContact O-N 3.45Å; N21-S24 PolarHBondContact O-N 3.5Å; N21-L25 WeakPolarHBondContact O-CG 3.34Å; N21-L25 PolarHBondContact O-N 2.94Å |
| 22 | F | 88.8 | Confident | 87 | Confident | 113 Ų | 113 | 78.4 Ų | 78.4 | 50% | 0.496 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60.9 | -49.6 | 176.5 | 173.8 | -103.1 | 0 | 0 | 0 | 111.4 | L18 L19 S24 L25 L26 | L18-F22 WeakPolarHBondContact O-CB 3.47Å; L18-F22 PolarHBondContact O-N 3.2Å; L19-F22 PolarHBondContact O-N 2.89Å; F22-S24 PolarHBondContact O-N 2.91Å; F22-L25 PolarHBondContact O-N 3.24Å; F22-L26 HydrophobicContact CD1-CD1 4.01Å; F22-L26 HydrophobicContact CE1-CD1 3.39Å; F22-L26 HydrophobicContact CE1-CG 4.17Å; F22-L26 HydrophobicContact CE2-CD1 4.47Å; F22-L26 HydrophobicContact CE2-CG 4.47Å; F22-L26 HydrophobicContact CZ-CD1 3.66Å; F22-L26 HydrophobicContact CZ-CD2 4.38Å; F22-L26 HydrophobicContact CZ-CG 4.11Å; F22-L26 PolarHBondContact O-N 2.88Å |
| 23 | F | 85.4 | Confident | 87.7 | Confident | 79 Ų | 79 | 77.5 Ų | 77.5 | 35% | 0.346 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.2 | -43 | 176 | -77.6 | -58.9 | 0 | 0 | 0 | 111.9 | L19 Y20 L25 L26 Y27 | L19-F23 HydrophobicContact CD1-CD2 4.15Å; L19-F23 HydrophobicContact CD1-CE2 3.53Å; L19-F23 HydrophobicContact CD1-CZ 4.28Å; L19-F23 HydrophobicContact CD2-CE2 3.97Å; L19-F23 HydrophobicContact CG-CD2 3.77Å; L19-F23 HydrophobicContact CG-CE2 3.48Å; L19-F23 VanDerWaalsContact CG-CE2 3.48Å; L19-F23 WeakPolarHBondContact O-CD2 3.4Å; L19-F23 PolarHBondContact O-N 2.89Å; Y20-F23 PolarHBondContact O-N 3.1Å; F23-L25 VanDerWaalsContact C-N 3.31Å; F23-L25 PolarHBondContact O-N 3.21Å; F23-L26 HydrophobicContact CD1-CD1 4.17Å; F23-L26 WeakPolarHBondContact O-CA 3.47Å; F23-L26 WeakPolarHBondContact O-CB 3.13Å; F23-L26 PolarHBondContact O-N 3.43Å; F23-L26 VanDerWaalsContact O-N 3.07Å; F23-Y27 VanDerWaalsContact C-CD2 3.46Å; F23-Y27 HydrophobicContact CB-CD2 4.47Å; F23-Y27 HydrophobicContact CB-CE2 3.68Å; F23-Y27 WeakPolarHBondContact O-CD2 3.37Å; F23-Y27 VanDerWaalsContact O-CE2 3.22Å; F23-Y27 WeakPolarHBondContact O-CE2 3.42Å; F23-Y27 PolarHBondContact O-N 2.75Å |
| 24 | S | 85.3 | Confident | 88.1 | Confident | 10 Ų | 10 | 73.3 Ų | 73.3 | 7% | 0.07 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -56 | -43.9 | 175.4 | -66.3 | 0 | 0 | 0 | 0 | 112.3 | Y20 N21 F22 Y27 I28 | Y20-S24 VanDerWaalsContact O-CB 3.32Å; Y20-S24 WeakPolarHBondContact O-CB 3.39Å; Y20-S24 PolarHBondContact O-N 3.43Å; Y20-S24 PolarHBondContact O-OG 3.26Å; N21-S24 PolarHBondContact O-N 3.5Å; F22-S24 PolarHBondContact O-N 2.91Å; S24-Y27 PolarHBondContact O-N 3.43Å; S24-I28 WeakPolarHBondContact O-CD1 3.46Å; S24-I28 VanDerWaalsContact O-CG1 3.23Å; S24-I28 WeakPolarHBondContact O-CG1 3.4Å; S24-I28 PolarHBondContact O-N 3.4Å |
| 25 | L | 89.1 | Confident | 88.4 | Confident | 97 Ų | 97 | 66.9 Ų | 66.9 | 51% | 0.508 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.6 | -43.5 | 174.5 | -73.3 | 169.8 | 0 | 0 | 0 | 112 | N21 F22 F23 Y27 I28 F29 | N21-L25 WeakPolarHBondContact O-CG 3.34Å; N21-L25 PolarHBondContact O-N 2.94Å; F22-L25 PolarHBondContact O-N 3.24Å; F23-L25 VanDerWaalsContact C-N 3.31Å; F23-L25 PolarHBondContact O-N 3.21Å; L25-Y27 PolarHBondContact O-N 3.41Å; L25-I28 PolarHBondContact O-N 2.67Å; L25-F29 HydrophobicContact CD2-CD2 4.45Å; L25-F29 HydrophobicContact CD2-CE2 4.01Å; L25-F29 WeakPolarHBondContact O-CD2 3.48Å; L25-F29 PolarHBondContact O-N 3.5Å |
| 26 | L | 88.4 | Confident | 88.7 | Confident | 85 Ų | 85 | 65.9 Ų | 65.9 | 45% | 0.445 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -57.7 | -38.4 | 174.8 | -73.6 | 178.7 | 0 | 0 | 0 | 111.8 | F22 F23 G30 | F22-L26 HydrophobicContact CD1-CD1 4.01Å; F22-L26 HydrophobicContact CE1-CD1 3.39Å; F22-L26 HydrophobicContact CE1-CG 4.17Å; F22-L26 HydrophobicContact CE2-CD1 4.47Å; F22-L26 HydrophobicContact CE2-CG 4.47Å; F22-L26 HydrophobicContact CZ-CD1 3.66Å; F22-L26 HydrophobicContact CZ-CD2 4.38Å; F22-L26 HydrophobicContact CZ-CG 4.11Å; F22-L26 PolarHBondContact O-N 2.88Å; F23-L26 HydrophobicContact CD1-CD1 4.17Å; F23-L26 WeakPolarHBondContact O-CA 3.47Å; F23-L26 WeakPolarHBondContact O-CB 3.13Å; F23-L26 PolarHBondContact O-N 3.43Å; F23-L26 VanDerWaalsContact O-N 3.07Å; L26-G30 WeakPolarHBondContact O-CA 3.37Å; L26-G30 PolarHBondContact O-N 3.14Å |
| 27 | Y | 86.1 | Confident | 88.9 | Confident | 24 Ų | 24 | 66.8 Ų | 66.8 | 9% | 0.094 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -73.2 | -40.7 | 177.3 | -56.8 | -53.6 | 0 | 0 | 0 | 112.7 | F23 S24 L25 F29 Q82 Y219 | F23-Y27 VanDerWaalsContact C-CD2 3.46Å; F23-Y27 HydrophobicContact CB-CD2 4.47Å; F23-Y27 HydrophobicContact CB-CE2 3.68Å; F23-Y27 WeakPolarHBondContact O-CD2 3.37Å; F23-Y27 VanDerWaalsContact O-CE2 3.22Å; F23-Y27 WeakPolarHBondContact O-CE2 3.42Å; F23-Y27 PolarHBondContact O-N 2.75Å; S24-Y27 PolarHBondContact O-N 3.43Å; L25-Y27 PolarHBondContact O-N 3.41Å; Y27-F29 VanDerWaalsContact C-N 3.33Å; Y27-F29 PolarHBondContact O-N 2.82Å; Y27-Q82 WeakPolarHBondContact O-CG 3.2Å; Y27-Y219 HydrophobicContact CD1-CD1 4.34Å; Y27-Y219 HydrophobicContact CD1-CG 4.07Å; Y27-Y219 AromaticContact CD2-CD1 3.82Å; Y27-Y219 HydrophobicContact CD2-CD1 3.82Å; Y27-Y219 AromaticContact CD2-CD2 3.47Å; Y27-Y219 HydrophobicContact CD2-CD2 3.47Å; Y27-Y219 VanDerWaalsContact CD2-CD2 3.47Å; Y27-Y219 AromaticContact CD2-CE1 3.87Å; Y27-Y219 HydrophobicContact CD2-CE1 3.87Å; Y27-Y219 AromaticContact CD2-CE2 3.5Å; Y27-Y219 HydrophobicContact CD2-CE2 3.5Å; Y27-Y219 AromaticContact CD2-CG 3.6Å; Y27-Y219 HydrophobicContact CD2-CG 3.6Å; Y27-Y219 AromaticContact CD2-CZ 3.71Å; Y27-Y219 VanDerWaalsContact CE1-CB 3.5Å; Y27-Y219 HydrophobicContact CE1-CD2 4.18Å; Y27-Y219 AromaticContact CE1-CG 3.84Å; Y27-Y219 HydrophobicContact CE1-CG 3.84Å; Y27-Y219 HydrophobicContact CE2-CD1 4.07Å; Y27-Y219 AromaticContact CE2-CD2 2.91Å; Y27-Y219 HydrophobicContact CE2-CD2 2.91Å; Y27-Y219 HydrophobicContact CE2-CE1 4.34Å; Y27-Y219 AromaticContact CE2-CE2 3.26Å; Y27-Y219 HydrophobicContact CE2-CE2 3.26Å; Y27-Y219 AromaticContact CE2-CG 3.36Å; Y27-Y219 HydrophobicContact CE2-CG 3.36Å; Y27-Y219 AromaticContact CE2-CZ 3.98Å; Y27-Y219 AromaticContact CG-CD1 4Å; Y27-Y219 HydrophobicContact CG-CD1 4Å; Y27-Y219 HydrophobicContact CG-CD2 4.3Å; Y27-Y219 HydrophobicContact CG-CE1 4.29Å; Y27-Y219 AromaticContact CG-CG 3.98Å; Y27-Y219 HydrophobicContact CG-CG 3.98Å; Y27-Y219 VanDerWaalsContact CZ-CB 3.44Å; Y27-Y219 AromaticContact CZ-CD2 3.35Å; Y27-Y219 AromaticContact CZ-CG 3.49Å; Y27-Y219 VanDerWaalsContact CZ-CG 3.49Å |
| 28 | I | 92.4 | Very high | 89.1 | Confident | 24 Ų | 24 | 58.6 Ų | 58.6 | 12% | 0.123 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.4 | -45.3 | 178.5 | -69.4 | 164 | 0 | 0 | 0 | 110.9 | S24 L25 S78 F81 Q82 I85 | S24-I28 WeakPolarHBondContact O-CD1 3.46Å; S24-I28 VanDerWaalsContact O-CG1 3.23Å; S24-I28 WeakPolarHBondContact O-CG1 3.4Å; S24-I28 PolarHBondContact O-N 3.4Å; L25-I28 PolarHBondContact O-N 2.67Å; I28-S78 WeakPolarHBondContact CG1-O 3.36Å; I28-F81 HydrophobicContact CD1-CB 4.21Å; I28-F81 HydrophobicContact CG1-CB 4.01Å; I28-F81 HydrophobicContact CG2-CB 4.14Å; I28-Q82 WeakPolarHBondContact O-CA 3.39Å; I28-I85 HydrophobicContact CG2-CG1 3.84Å |
| 29 | F | 92.1 | Very high | 89.3 | Confident | 103 Ų | 103 | 56.2 Ų | 56.2 | 45% | 0.452 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -95.6 | -24.4 | -176.1 | -69.1 | -77 | 0 | 0 | 0 | 114 | L25 Y27 G31 A32 V33 I85 | L25-F29 HydrophobicContact CD2-CD2 4.45Å; L25-F29 HydrophobicContact CD2-CE2 4.01Å; L25-F29 WeakPolarHBondContact O-CD2 3.48Å; L25-F29 PolarHBondContact O-N 3.5Å; Y27-F29 VanDerWaalsContact C-N 3.33Å; Y27-F29 PolarHBondContact O-N 2.82Å; F29-G31 PolarHBondContact O-N 2.8Å; F29-G31 VanDerWaalsContact O-N 3.16Å; F29-A32 WeakPolarHBondContact O-CA 3.13Å; F29-A32 WeakPolarHBondContact O-CB 3.38Å; F29-A32 PolarHBondContact O-N 3.28Å; F29-V33 PolarHBondContact O-N 2.83Å; F29-I85 HydrophobicContact CD1-CG2 4.11Å; F29-I85 HydrophobicContact CE1-CD1 4.1Å; F29-I85 HydrophobicContact CE1-CG1 4.4Å; F29-I85 HydrophobicContact CE1-CG2 4.42Å |
| 30 | G | 88.7 | Confident | 89.6 | Confident | 25 Ų | 25 | 56.5 Ų | 56.5 | 26% | 0.258 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -57.1 | -37.4 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113 | L26 A32 V33 P34 | L26-G30 WeakPolarHBondContact O-CA 3.37Å; L26-G30 PolarHBondContact O-N 3.14Å; G30-A32 VanDerWaalsContact C-N 3.29Å; G30-A32 PolarHBondContact O-N 3.3Å; G30-V33 PolarHBondContact O-N 3.43Å; G30-P34 WeakPolarHBondContact O-CD 3.18Å |
| 31 | G | 88.6 | Confident | 89.8 | Confident | 24 Ų | 24 | 56 Ų | 56 | 25% | 0.247 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -33.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | F29 P34 Y35 M86 | F29-G31 PolarHBondContact O-N 2.8Å; F29-G31 VanDerWaalsContact O-N 3.16Å; G31-P34 WeakPolarHBondContact O-CD 3.45Å; G31-Y35 WeakPolarHBondContact O-CD2 3.29Å; G31-Y35 WeakPolarHBondContact O-CE2 3.4Å; G31-M86 WeakPolarHBondContact O-CE 3.28Å |
| 32 | A | 92.4 | Very high | 89.9 | Confident | 8 Ų | 8 | 52.4 Ų | 52.4 | 7% | 0.066 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -26.5 | -179 | 0 | 0 | 0 | 0 | 0 | 113.3 | F29 G30 Y35 I85 T89 | F29-A32 WeakPolarHBondContact O-CA 3.13Å; F29-A32 WeakPolarHBondContact O-CB 3.38Å; F29-A32 PolarHBondContact O-N 3.28Å; G30-A32 VanDerWaalsContact C-N 3.29Å; G30-A32 PolarHBondContact O-N 3.3Å; A32-Y35 WeakPolarHBondContact O-CB 3.44Å; A32-Y35 PolarHBondContact O-N 3.25Å; A32-Y35 VanDerWaalsContact O-N 3.07Å; A32-I85 HydrophobicContact CB-CG2 3.94Å; A32-T89 HydrophobicContact CB-CG2 4.12Å; A32-T89 WeakPolarHBondContact CB-OG1 3.3Å |
| 33 | V | 91.8 | Very high | 90 | Very high | 70 Ų | 70 | 52.8 Ų | 52.8 | 42% | 0.424 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -46.7 | -175.5 | 171 | 0 | 0 | 0 | 0 | 113.9 | F29 G30 Y35 I36 P37 | F29-V33 PolarHBondContact O-N 2.83Å; G30-V33 PolarHBondContact O-N 3.43Å; V33-Y35 PolarHBondContact O-N 2.69Å; V33-I36 PolarHBondContact O-N 2.87Å; V33-P37 VanDerWaalsContact O-CD 3.29Å; V33-P37 WeakPolarHBondContact O-CD 3.35Å |
| 34 | P | 90 | Very high | 90.4 | Very high | 5 Ų | 5 | 58.1 Ų | 58.1 | 3% | 0.032 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -25.5 | 179.4 | -26 | 31.9 | 0 | 0 | 0 | 114.4 | G30 G31 M208 W209 | G30-P34 WeakPolarHBondContact O-CD 3.18Å; G31-P34 WeakPolarHBondContact O-CD 3.45Å; P34-M208 HydrophobicContact CB-CB 3.81Å; P34-M208 HydrophobicContact CG-CB 3.92Å; P34-W209 HydrophobicContact CB-CG 4.48Å |
| 35 | Y | 92.3 | Very high | 90.6 | Very high | 5 Ų | 5 | 61.3 Ų | 61.3 | 2% | 0.02 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -91.1 | -14.7 | -175.1 | -55.3 | -80 | 0 | 0 | 0 | 113.6 | G31 A32 V33 Q38 Y39 F51 V55 L59 M86 M90 L93 L184 M205 W209 | G31-Y35 WeakPolarHBondContact O-CD2 3.29Å; G31-Y35 WeakPolarHBondContact O-CE2 3.4Å; A32-Y35 WeakPolarHBondContact O-CB 3.44Å; A32-Y35 PolarHBondContact O-N 3.25Å; A32-Y35 VanDerWaalsContact O-N 3.07Å; V33-Y35 PolarHBondContact O-N 2.69Å; Y35-Q38 PolarHBondContact O-N 3.29Å; Y35-Y39 PolarHBondContact O-N 3.14Å; Y35-F51 HydrophobicContact CD1-CE2 4.01Å; Y35-F51 HydrophobicContact CD1-CZ 4.45Å; Y35-F51 HydrophobicContact CE1-CE2 4.25Å; Y35-V55 HydrophobicContact CE1-CG1 3.72Å; Y35-L59 HydrophobicContact CE1-CD1 3.95Å; Y35-L59 HydrophobicContact CE2-CD1 4.12Å; Y35-L59 VanDerWaalsContact CZ-CD1 3.46Å; Y35-L59 WeakPolarHBondContact OH-CD1 3.3Å; Y35-M86 HydrophobicContact CD2-SD 4.4Å; Y35-M86 HydrophobicContact CE2-CE 4.13Å; Y35-M86 HydrophobicContact CE2-SD 3.98Å; Y35-M90 HydrophobicContact CD1-CE 3.64Å; Y35-M90 HydrophobicContact CD2-CE 3.52Å; Y35-M90 HydrophobicContact CE1-CE 3.88Å; Y35-M90 HydrophobicContact CE2-CE 3.77Å; Y35-M90 HydrophobicContact CG-CE 3.48Å; Y35-M90 VanDerWaalsContact CG-CE 3.48Å; Y35-L93 HydrophobicContact CD1-CD1 4.36Å; Y35-L93 HydrophobicContact CG-CD1 4.27Å; Y35-L184 WeakPolarHBondContact OH-CD2 3.49Å; Y35-M205 HydrophobicContact CD1-CE 3.34Å; Y35-M205 HydrophobicContact CE1-CE 3.28Å; Y35-M205 HydrophobicContact CG-CE 4.42Å; Y35-W209 AromaticContact CE1-CZ2 3.95Å; Y35-W209 HydrophobicContact CE1-CZ2 3.95Å; Y35-W209 AromaticContact CE1-NE1 3.66Å; Y35-W209 AromaticContact CZ-NE1 3.33Å; Y35-W209 VanDerWaalsContact CZ-NE1 3.33Å; Y35-W209 PolarHBondContact OH-NE1 3.38Å |
| 36 | I | 92.3 | Very high | 90.5 | Very high | 90 Ų | 90 | 61.1 Ų | 61.1 | 46% | 0.462 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.6 | -51.4 | 179.6 | -60.4 | 172.4 | 0 | 0 | 0 | 110.9 | V33 Q38 Y39 L40 | V33-I36 PolarHBondContact O-N 2.87Å; I36-Q38 PolarHBondContact O-N 3.31Å; I36-Y39 WeakPolarHBondContact O-CB 3.39Å; I36-Y39 PolarHBondContact O-N 3.21Å; I36-L40 HydrophobicContact CG2-CD1 4.18Å; I36-L40 WeakPolarHBondContact O-CG 3.24Å; I36-L40 PolarHBondContact O-N 3.38Å |
| 37 | P | 91.1 | Very high | 90.3 | Very high | 58 Ų | 58 | 58.6 Ų | 58.6 | 38% | 0.377 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.3 | -33.2 | 177.6 | -25.6 | 38.7 | 0 | 0 | 0 | 112.2 | V33 L40 K41 M208 | V33-P37 VanDerWaalsContact O-CD 3.29Å; V33-P37 WeakPolarHBondContact O-CD 3.35Å; P37-L40 PolarHBondContact O-N 3.45Å; P37-K41 VanDerWaalsContact O-CB 3.28Å; P37-K41 WeakPolarHBondContact O-CB 3.43Å; P37-K41 PolarHBondContact O-N 2.86Å; P37-M208 HydrophobicContact CB-CE 4.31Å; P37-M208 HydrophobicContact CG-CE 3.74Å; P37-M208 HydrophobicContact CG-SD 4.16Å |
| 38 | Q | 89.9 | Confident | 90.2 | Very high | 4 Ų | 4 | 60 Ų | 60 | 2% | 0.019 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -68 | -43.4 | 177.8 | -167.6 | 59.1 | 32.5 | 0 | 0 | 111.8 | Y35 I36 K41 I42 F51 M205 | Y35-Q38 PolarHBondContact O-N 3.29Å; I36-Q38 PolarHBondContact O-N 3.31Å; Q38-K41 PolarHBondContact O-N 2.89Å; Q38-I42 HydrophobicContact CG-CD1 4.11Å; Q38-I42 WeakPolarHBondContact O-CB 3.34Å; Q38-I42 VanDerWaalsContact O-CG1 3.24Å; Q38-I42 WeakPolarHBondContact O-CG1 3.43Å; Q38-I42 PolarHBondContact O-N 2.98Å; Q38-F51 HydrophobicContact CG-CB 3.98Å; Q38-F51 HydrophobicContact CG-CD2 3.6Å; Q38-F51 HydrophobicContact CG-CE2 4.32Å; Q38-F51 HydrophobicContact CG-CG 3.97Å; Q38-M205 HydrophobicContact CG-SD 4.42Å |
| 39 | Y | 91.9 | Very high | 89.5 | Confident | 73 Ų | 73 | 66.9 Ų | 66.9 | 29% | 0.286 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -57.5 | -50.2 | 172.5 | 170.7 | -97 | 0 | 0 | 0 | 111.4 | Y35 I36 K41 I42 R43 I92 T96 | Y35-Y39 PolarHBondContact O-N 3.14Å; I36-Y39 WeakPolarHBondContact O-CB 3.39Å; I36-Y39 PolarHBondContact O-N 3.21Å; Y39-K41 VanDerWaalsContact C-N 3.32Å; Y39-K41 PolarHBondContact O-N 2.93Å; Y39-I42 PolarHBondContact O-N 2.91Å; Y39-R43 HydrophobicContact CD1-CG 4.34Å; Y39-R43 HydrophobicContact CD2-CG 4.28Å; Y39-R43 HydrophobicContact CE1-CG 3.9Å; Y39-R43 HydrophobicContact CE2-CG 3.85Å; Y39-R43 WeakPolarHBondContact O-CG 3.43Å; Y39-R43 PolarHBondContact O-N 3.17Å; Y39-I92 HydrophobicContact CD2-CG2 4.28Å; Y39-I92 HydrophobicContact CE2-CG2 3.93Å; Y39-T96 HydrophobicContact CE2-CG2 4.42Å; Y39-T96 WeakPolarHBondContact CE2-OG1 3.34Å |
| 40 | L | 92.9 | Very high | 88.6 | Confident | 103 Ų | 103 | 63.6 Ų | 63.6 | 54% | 0.539 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.1 | -42.8 | 179.2 | -66 | 174.7 | 0 | 0 | 0 | 111.5 | I36 P37 R43 K44 | I36-L40 HydrophobicContact CG2-CD1 4.18Å; I36-L40 WeakPolarHBondContact O-CG 3.24Å; I36-L40 PolarHBondContact O-N 3.38Å; P37-L40 PolarHBondContact O-N 3.45Å; L40-R43 PolarHBondContact O-N 3.47Å; L40-K44 WeakPolarHBondContact O-CB 3.36Å; L40-K44 PolarHBondContact O-N 3.48Å |
| 41 | K | 90.1 | Very high | 88.3 | Confident | 101 Ų | 101 | 63.3 Ų | 63.3 | 44% | 0.439 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.4 | -45.3 | 176.2 | -176.3 | 177.3 | -178.8 | 177.5 | 0 | 112 | P37 Q38 Y39 K44 T45 | P37-K41 VanDerWaalsContact O-CB 3.28Å; P37-K41 WeakPolarHBondContact O-CB 3.43Å; P37-K41 PolarHBondContact O-N 2.86Å; Q38-K41 PolarHBondContact O-N 2.89Å; Y39-K41 VanDerWaalsContact C-N 3.32Å; Y39-K41 PolarHBondContact O-N 2.93Å; K41-K44 PolarHBondContact O-N 3.24Å; K41-T45 HydrophobicContact CG-CG2 4.43Å; K41-T45 WeakPolarHBondContact O-CB 3.41Å; K41-T45 WeakPolarHBondContact O-CG2 3.47Å; K41-T45 PolarHBondContact O-N 3.35Å; K41-T45 PolarHBondContact O-OG1 2.67Å |
| 42 | I | 89.1 | Confident | 88.1 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.8 | -44 | 178.3 | -70.6 | 167.4 | 0 | 0 | 0 | 110.4 | Q38 Y39 Q46 I48 F51 L93 T96 L100 | Q38-I42 HydrophobicContact CG-CD1 4.11Å; Q38-I42 WeakPolarHBondContact O-CB 3.34Å; Q38-I42 VanDerWaalsContact O-CG1 3.24Å; Q38-I42 WeakPolarHBondContact O-CG1 3.43Å; Q38-I42 PolarHBondContact O-N 2.98Å; Y39-I42 PolarHBondContact O-N 2.91Å; I42-Q46 VanDerWaalsContact O-CA 3.3Å; I42-Q46 WeakPolarHBondContact O-CA 3.33Å; I42-Q46 PolarHBondContact O-N 3.49Å; I42-I48 HydrophobicContact CG2-CG2 4.37Å; I42-F51 HydrophobicContact CD1-CB 4.14Å; I42-F51 HydrophobicContact CD1-CD1 4.4Å; I42-F51 HydrophobicContact CD1-CG 4.38Å; I42-L93 HydrophobicContact CD1-CD2 4.06Å; I42-T96 HydrophobicContact CG2-CG2 3.79Å; I42-L100 HydrophobicContact CG2-CD1 3.27Å |
| 43 | R | 90.9 | Very high | 87.9 | Confident | 120 Ų | 120 | 65.6 Ų | 65.6 | 45% | 0.453 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.8 | -41.3 | 177.6 | -68.9 | -69.7 | -67.2 | -176.1 | -1.3 | 112.4 | Y39 L40 Q46 T96 | Y39-R43 HydrophobicContact CD1-CG 4.34Å; Y39-R43 HydrophobicContact CD2-CG 4.28Å; Y39-R43 HydrophobicContact CE1-CG 3.9Å; Y39-R43 HydrophobicContact CE2-CG 3.85Å; Y39-R43 WeakPolarHBondContact O-CG 3.43Å; Y39-R43 PolarHBondContact O-N 3.17Å; L40-R43 PolarHBondContact O-N 3.47Å; R43-Q46 PolarHBondContact O-NE2 2.98Å; R43-T96 HydrophobicContact CG-CG2 4.36Å |
| 44 | K | 92.3 | Very high | 87.9 | Confident | 192 Ų | 192 | 65.9 Ų | 65.9 | 84% | 0.835 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -69 | -43.5 | 178.9 | -174.3 | 176.9 | -179.8 | 178.1 | 0 | 112.2 | L40 K41 | L40-K44 WeakPolarHBondContact O-CB 3.36Å; L40-K44 PolarHBondContact O-N 3.48Å; K41-K44 PolarHBondContact O-N 3.24Å |
| 45 | T | 89.6 | Confident | 87.9 | Confident | 77 Ų | 77 | 66.5 Ų | 66.5 | 47% | 0.472 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -91 | -9.7 | -174 | 62.1 | 0 | 0 | 0 | 0 | 114.1 | K41 S47 | K41-T45 HydrophobicContact CG-CG2 4.43Å; K41-T45 WeakPolarHBondContact O-CB 3.41Å; K41-T45 WeakPolarHBondContact O-CG2 3.47Å; K41-T45 PolarHBondContact O-N 3.35Å; K41-T45 PolarHBondContact O-OG1 2.67Å; T45-S47 PolarHBondContact O-N 2.98Å; T45-S47 VanDerWaalsContact O-N 3.08Å; T45-S47 PolarHBondContact OG1-N 3.37Å |
| 46 | Q | 88.5 | Confident | 88.1 | Confident | 93 Ų | 93 | 66.2 Ų | 66.2 | 44% | 0.435 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 32.6 | -172.1 | -60.8 | -68.8 | -56 | 0 | 0 | 112.2 | I42 R43 L100 | I42-Q46 VanDerWaalsContact O-CA 3.3Å; I42-Q46 WeakPolarHBondContact O-CA 3.33Å; I42-Q46 PolarHBondContact O-N 3.49Å; R43-Q46 PolarHBondContact O-NE2 2.98Å; Q46-L100 HydrophobicContact CB-CD2 4.15Å |
| 47 | S | 84 | Confident | 88.2 | Confident | 32 Ų | 32 | 63.7 Ų | 63.7 | 22% | 0.224 | 32% | 0.318 | C | S | . | . | trans | -135 | 129.7 | -174.8 | -171 | 0 | 0 | 0 | 0 | 110.5 | T45 K49 | T45-S47 PolarHBondContact O-N 2.98Å; T45-S47 VanDerWaalsContact O-N 3.08Å; T45-S47 PolarHBondContact OG1-N 3.37Å; S47-K49 PolarHBondContact O-N 3.38Å; S47-K49 WeakPolarHBondContact OG-CB 3.27Å; S47-K49 PolarHBondContact OG-N 3Å | ||
| 48 | I | 82.4 | Confident | 88.4 | Confident | 53 Ų | 53 | 61.5 Ų | 61.5 | 27% | 0.272 | 30% | 0.303 | S | S | . | . | trans | -85.3 | 5.7 | 173.6 | 61.9 | 173.6 | 0 | 0 | 0 | 112.2 | I42 G50 F51 I97 L100 | I42-I48 HydrophobicContact CG2-CG2 4.37Å; I48-G50 PolarHBondContact O-N 3.13Å; I48-F51 PolarHBondContact O-N 3.38Å; I48-I97 HydrophobicContact CD1-CG2 4.41Å; I48-I97 HydrophobicContact CG2-CB 4.31Å; I48-I97 HydrophobicContact CG2-CG1 4.03Å; I48-I97 HydrophobicContact CG2-CG2 4.21Å; I48-L100 HydrophobicContact CG2-CB 4.21Å; I48-L100 HydrophobicContact CG2-CD1 3.81Å | ||
| 49 | K | 78.2 | Confident | 88.7 | Confident | 168 Ų | 168 | 61.4 Ų | 61.4 | 73% | 0.73 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | 121.4 | -178.7 | -163.6 | 176.5 | -176.8 | -179.5 | 0 | 109.4 | S47 | S47-K49 PolarHBondContact O-N 3.38Å; S47-K49 WeakPolarHBondContact OG-CB 3.27Å; S47-K49 PolarHBondContact OG-N 3Å |
| 50 | G | 73.4 | Confident | 89 | Confident | 34 Ų | 34 | 58 Ų | 58 | 35% | 0.351 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.6 | 5.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | I48 G200 | I48-G50 PolarHBondContact O-N 3.13Å; G50-G200 WeakPolarHBondContact CA-O 3.35Å |
| 51 | F | 82.3 | Confident | 89.3 | Confident | 20 Ų | 20 | 53.5 Ų | 53.5 | 9% | 0.088 | 27% | 0.266 | C | S | . | . | trans | -130 | 134.2 | 166 | -175.4 | -97.8 | 0 | 0 | 0 | 110.6 | Y35 Q38 I42 I48 V55 C56 L93 I97 M205 | Y35-F51 HydrophobicContact CD1-CE2 4.01Å; Y35-F51 HydrophobicContact CD1-CZ 4.45Å; Y35-F51 HydrophobicContact CE1-CE2 4.25Å; Q38-F51 HydrophobicContact CG-CB 3.98Å; Q38-F51 HydrophobicContact CG-CD2 3.6Å; Q38-F51 HydrophobicContact CG-CE2 4.32Å; Q38-F51 HydrophobicContact CG-CG 3.97Å; I42-F51 HydrophobicContact CD1-CB 4.14Å; I42-F51 HydrophobicContact CD1-CD1 4.4Å; I42-F51 HydrophobicContact CD1-CG 4.38Å; I48-F51 PolarHBondContact O-N 3.38Å; F51-V55 HydrophobicContact CE2-CB 4.07Å; F51-V55 HydrophobicContact CE2-CG1 3.83Å; F51-V55 HydrophobicContact CZ-CB 3.93Å; F51-V55 HydrophobicContact CZ-CG1 3.91Å; F51-C56 VanDerWaalsContact CE1-SG 3.58Å; F51-L93 HydrophobicContact CE1-CD2 4.47Å; F51-I97 HydrophobicContact CD1-CD1 3.52Å; F51-I97 HydrophobicContact CE1-CD1 3.49Å; F51-I97 VanDerWaalsContact CE1-CD1 3.49Å; F51-M205 HydrophobicContact CD2-CE 3.86Å; F51-M205 HydrophobicContact CD2-SD 4.22Å; F51-M205 HydrophobicContact CE2-CE 3.59Å | ||
| 52 | S | 84.5 | Confident | 89.7 | Confident | 61 Ų | 61 | 48.7 Ų | 48.7 | 43% | 0.427 | 25% | 0.245 | S | C | . | . | trans | -96.4 | 130.8 | 179.2 | -179.9 | 0 | 0 | 0 | 0 | 110.1 | F54 V55 | S52-F54 PolarHBondContact O-N 2.65Å; S52-F54 VanDerWaalsContact O-N 3.12Å; S52-F54 VanDerWaalsContact OG-CB 3.32Å; S52-F54 WeakPolarHBondContact OG-CB 3.41Å; S52-F54 PolarHBondContact OG-N 3.21Å; S52-V55 WeakPolarHBondContact O-CB 3.24Å; S52-V55 PolarHBondContact O-N 3.05Å | ||
| 53 | S | 89.2 | Confident | 90.1 | Very high | 18 Ų | 18 | 48.7 Ų | 48.7 | 13% | 0.126 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.5 | -21.6 | 171.5 | 59.9 | 0 | 0 | 0 | 0 | 112.3 | V55 C56 F57 W137 | S53-V55 PolarHBondContact O-N 3.08Å; S53-C56 WeakPolarHBondContact O-CB 3.47Å; S53-C56 PolarHBondContact O-N 3.36Å; S53-C56 VanDerWaalsContact O-N 3.12Å; S53-F57 PolarHBondContact O-N 3.02Å; S53-F57 VanDerWaalsContact O-N 3.14Å; S53-W137 PolarHBondContact O-NE1 3.47Å; S53-W137 PolarHBondContact OG-O 2.95Å |
| 54 | F | 90.2 | Very high | 90.5 | Very high | 77 Ų | 77 | 43.7 Ų | 43.7 | 34% | 0.338 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65.4 | -26.6 | 176 | -159.7 | -107.7 | 0 | 0 | 0 | 112.9 | S52 C56 F57 I58 P187 | S52-F54 PolarHBondContact O-N 2.65Å; S52-F54 VanDerWaalsContact O-N 3.12Å; S52-F54 VanDerWaalsContact OG-CB 3.32Å; S52-F54 WeakPolarHBondContact OG-CB 3.41Å; S52-F54 PolarHBondContact OG-N 3.21Å; F54-C56 VanDerWaalsContact C-N 3.32Å; F54-F57 HydrophobicContact CD2-CB 4.3Å; F54-F57 AromaticContact CD2-CD1 3.89Å; F54-F57 HydrophobicContact CD2-CD1 3.89Å; F54-F57 HydrophobicContact CD2-CG 4.45Å; F54-F57 AromaticContact CE2-CD1 3.47Å; F54-F57 HydrophobicContact CE2-CD1 3.47Å; F54-F57 VanDerWaalsContact CE2-CD1 3.47Å; F54-F57 AromaticContact CE2-CE1 3.96Å; F54-F57 HydrophobicContact CE2-CE1 3.96Å; F54-F57 HydrophobicContact CE2-CG 4.4Å; F54-F57 AromaticContact CZ-CD1 3.89Å; F54-F57 HydrophobicContact CZ-CD1 3.89Å; F54-F57 HydrophobicContact CZ-CE1 4.21Å; F54-F57 WeakPolarHBondContact O-CB 3.39Å; F54-F57 PolarHBondContact O-N 3.06Å; F54-I58 HydrophobicContact CD1-CD1 3.66Å; F54-I58 HydrophobicContact CD1-CG1 3.96Å; F54-I58 HydrophobicContact CE1-CD1 3.56Å; F54-I58 HydrophobicContact CE1-CG1 3.79Å; F54-I58 HydrophobicContact CZ-CG1 4.41Å; F54-I58 WeakPolarHBondContact O-CG1 3.42Å; F54-I58 PolarHBondContact O-N 3.4Å; F54-P187 HydrophobicContact CD1-CG 4.26Å; F54-P187 HydrophobicContact CE1-CG 4.24Å |
| 55 | V | 91.8 | Very high | 90.8 | Very high | 17 Ų | 17 | 35.3 Ų | 35.3 | 10% | 0.103 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.5 | -45.3 | 171.6 | 174.6 | 0 | 0 | 0 | 0 | 109.5 | Y35 F51 S52 S53 F57 L59 L184 W209 | Y35-V55 HydrophobicContact CE1-CG1 3.72Å; F51-V55 HydrophobicContact CE2-CB 4.07Å; F51-V55 HydrophobicContact CE2-CG1 3.83Å; F51-V55 HydrophobicContact CZ-CB 3.93Å; F51-V55 HydrophobicContact CZ-CG1 3.91Å; S52-V55 WeakPolarHBondContact O-CB 3.24Å; S52-V55 PolarHBondContact O-N 3.05Å; S53-V55 PolarHBondContact O-N 3.08Å; V55-F57 VanDerWaalsContact C-N 3.32Å; V55-F57 PolarHBondContact O-N 3.23Å; V55-L59 HydrophobicContact CG1-CD1 3.89Å; V55-L59 WeakPolarHBondContact O-CB 3.43Å; V55-L59 WeakPolarHBondContact O-CD1 3.15Å; V55-L59 WeakPolarHBondContact O-CG 3.4Å; V55-L59 PolarHBondContact O-N 3.16Å; V55-L59 VanDerWaalsContact O-N 3.16Å; V55-L184 HydrophobicContact CB-CD1 4.38Å; V55-L184 HydrophobicContact CG1-CD1 3.93Å; V55-W209 HydrophobicContact CG1-CZ2 4.1Å; V55-W209 HydrophobicContact CG2-CH2 4.46Å |
| 56 | C | 94.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.1 | -41.3 | 173.7 | -61.8 | 0 | 0 | 0 | 0 | 111.8 | F51 S53 F54 L60 M90 L94 | F51-C56 VanDerWaalsContact CE1-SG 3.58Å; S53-C56 WeakPolarHBondContact O-CB 3.47Å; S53-C56 PolarHBondContact O-N 3.36Å; S53-C56 VanDerWaalsContact O-N 3.12Å; F54-C56 VanDerWaalsContact C-N 3.32Å; C56-L60 HydrophobicContact CB-CD1 4.38Å; C56-L60 VanDerWaalsContact O-CB 3.26Å; C56-L60 WeakPolarHBondContact O-CB 3.35Å; C56-L60 VanDerWaalsContact O-CD1 3.28Å; C56-L60 WeakPolarHBondContact O-CD1 3.08Å; C56-L60 WeakPolarHBondContact O-CG 3.49Å; C56-L60 PolarHBondContact O-N 3.24Å; C56-M90 HydrophobicContact CB-CB 4.39Å; C56-M90 HydrophobicContact CB-SD 4.22Å; C56-L94 HydrophobicContact CB-CB 4.46Å; C56-L94 HydrophobicContact CB-CD1 4.33Å |
| 57 | F | 95.1 | Very high | 91.6 | Very high | 36 Ų | 36 | 28.2 Ų | 28.2 | 16% | 0.158 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -56.7 | -57.7 | 177.2 | 174.6 | -116.8 | 0 | 0 | 0 | 112.2 | S53 F54 V55 L59 L60 I61 F136 W137 F148 | S53-F57 PolarHBondContact O-N 3.02Å; S53-F57 VanDerWaalsContact O-N 3.14Å; F54-F57 HydrophobicContact CD2-CB 4.3Å; F54-F57 AromaticContact CD2-CD1 3.89Å; F54-F57 HydrophobicContact CD2-CD1 3.89Å; F54-F57 HydrophobicContact CD2-CG 4.45Å; F54-F57 AromaticContact CE2-CD1 3.47Å; F54-F57 HydrophobicContact CE2-CD1 3.47Å; F54-F57 VanDerWaalsContact CE2-CD1 3.47Å; F54-F57 AromaticContact CE2-CE1 3.96Å; F54-F57 HydrophobicContact CE2-CE1 3.96Å; F54-F57 HydrophobicContact CE2-CG 4.4Å; F54-F57 AromaticContact CZ-CD1 3.89Å; F54-F57 HydrophobicContact CZ-CD1 3.89Å; F54-F57 HydrophobicContact CZ-CE1 4.21Å; F54-F57 WeakPolarHBondContact O-CB 3.39Å; F54-F57 PolarHBondContact O-N 3.06Å; V55-F57 VanDerWaalsContact C-N 3.32Å; V55-F57 PolarHBondContact O-N 3.23Å; F57-L59 VanDerWaalsContact C-N 3.28Å; F57-L59 PolarHBondContact O-N 3.43Å; F57-L60 PolarHBondContact O-N 3.44Å; F57-I61 HydrophobicContact CD2-CD1 4.49Å; F57-I61 HydrophobicContact CD2-CG1 3.79Å; F57-I61 HydrophobicContact CE2-CD1 3.93Å; F57-I61 HydrophobicContact CE2-CG1 3.43Å; F57-I61 VanDerWaalsContact CE2-CG1 3.43Å; F57-I61 HydrophobicContact CZ-CG1 3.88Å; F57-I61 WeakPolarHBondContact O-CG1 3.1Å; F57-I61 PolarHBondContact O-N 3.22Å; F57-F136 HydrophobicContact CD1-CE1 4.21Å; F57-F136 HydrophobicContact CD2-CE1 4.09Å; F57-F136 HydrophobicContact CD2-CZ 4.41Å; F57-F136 AromaticContact CE1-CE1 3.79Å; F57-F136 HydrophobicContact CE1-CE1 3.79Å; F57-F136 AromaticContact CE2-CE1 3.64Å; F57-F136 HydrophobicContact CE2-CE1 3.64Å; F57-F136 AromaticContact CE2-CZ 3.7Å; F57-F136 HydrophobicContact CE2-CZ 3.7Å; F57-F136 HydrophobicContact CG-CE1 4.34Å; F57-F136 AromaticContact CZ-CE1 3.49Å; F57-F136 HydrophobicContact CZ-CE1 3.49Å; F57-F136 VanDerWaalsContact CZ-CE1 3.49Å; F57-F136 AromaticContact CZ-CZ 3.79Å; F57-F136 HydrophobicContact CZ-CZ 3.79Å; F57-W137 HydrophobicContact CB-CB 4.49Å; F57-W137 HydrophobicContact CB-CD2 3.64Å; F57-W137 HydrophobicContact CB-CE3 4.36Å; F57-W137 HydrophobicContact CB-CG 3.68Å; F57-W137 HydrophobicContact CB-CZ2 4.15Å; F57-W137 AromaticContact CD2-CD2 3.5Å; F57-W137 HydrophobicContact CD2-CD2 3.5Å; F57-W137 AromaticContact CD2-CE2 3.8Å; F57-W137 AromaticContact CD2-CE3 3.3Å; F57-W137 HydrophobicContact CD2-CE3 3.3Å; F57-W137 HydrophobicContact CD2-CG 4.23Å; F57-W137 AromaticContact CD2-CH2 3.74Å; F57-W137 HydrophobicContact CD2-CH2 3.74Å; F57-W137 AromaticContact CD2-CZ2 3.92Å; F57-W137 HydrophobicContact CD2-CZ2 3.92Å; F57-W137 AromaticContact CD2-CZ3 3.44Å; F57-W137 HydrophobicContact CD2-CZ3 3.44Å; F57-W137 VanDerWaalsContact CD2-CZ3 3.44Å; F57-W137 HydrophobicContact CE2-CD2 4.47Å; F57-W137 AromaticContact CE2-CE3 3.88Å; F57-W137 HydrophobicContact CE2-CE3 3.88Å; F57-W137 HydrophobicContact CE2-CH2 4.44Å; F57-W137 AromaticContact CE2-CZ3 3.87Å; F57-W137 HydrophobicContact CE2-CZ3 3.87Å; F57-W137 AromaticContact CG-CD2 3.85Å; F57-W137 HydrophobicContact CG-CD2 3.85Å; F57-W137 HydrophobicContact CG-CE3 4.09Å; F57-W137 HydrophobicContact CG-CG 4.13Å; F57-F148 HydrophobicContact CE2-CE1 4.03Å; F57-F148 HydrophobicContact CE2-CZ 4.22Å |
| 58 | I | 95.4 | Very high | 92.3 | Very high | 13 Ų | 13 | 27.8 Ų | 27.8 | 7% | 0.067 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -54.4 | -49.2 | -177.4 | -70.8 | 176.7 | 0 | 0 | 0 | 110 | F54 I61 S62 I180 L184 P187 | F54-I58 HydrophobicContact CD1-CD1 3.66Å; F54-I58 HydrophobicContact CD1-CG1 3.96Å; F54-I58 HydrophobicContact CE1-CD1 3.56Å; F54-I58 HydrophobicContact CE1-CG1 3.79Å; F54-I58 HydrophobicContact CZ-CG1 4.41Å; F54-I58 WeakPolarHBondContact O-CG1 3.42Å; F54-I58 PolarHBondContact O-N 3.4Å; I58-I61 PolarHBondContact O-N 2.99Å; I58-S62 VanDerWaalsContact O-CB 3.25Å; I58-S62 WeakPolarHBondContact O-CB 3.24Å; I58-S62 PolarHBondContact O-N 3.14Å; I58-I180 HydrophobicContact CG2-CG2 3.8Å; I58-I180 WeakPolarHBondContact CG2-O 3.4Å; I58-L184 HydrophobicContact CB-CD1 3.84Å; I58-L184 HydrophobicContact CD1-CD1 4.19Å; I58-L184 HydrophobicContact CG2-CB 4.35Å; I58-L184 HydrophobicContact CG2-CD1 3.68Å; I58-P187 HydrophobicContact CD1-CG 4.49Å |
| 59 | L | 96.8 | Very high | 93 | Very high | 2 Ų | 2 | 25.3 Ų | 25.3 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -68.1 | -42.1 | -177 | -68.4 | 167.5 | 0 | 0 | 0 | 111.9 | Y35 V55 F57 I61 N63 M86 M90 E181 L184 | Y35-L59 HydrophobicContact CE1-CD1 3.95Å; Y35-L59 HydrophobicContact CE2-CD1 4.12Å; Y35-L59 VanDerWaalsContact CZ-CD1 3.46Å; Y35-L59 WeakPolarHBondContact OH-CD1 3.3Å; V55-L59 HydrophobicContact CG1-CD1 3.89Å; V55-L59 WeakPolarHBondContact O-CB 3.43Å; V55-L59 WeakPolarHBondContact O-CD1 3.15Å; V55-L59 WeakPolarHBondContact O-CG 3.4Å; V55-L59 PolarHBondContact O-N 3.16Å; V55-L59 VanDerWaalsContact O-N 3.16Å; F57-L59 VanDerWaalsContact C-N 3.28Å; F57-L59 PolarHBondContact O-N 3.43Å; L59-I61 PolarHBondContact O-N 2.95Å; L59-N63 VanDerWaalsContact O-CB 3.25Å; L59-N63 WeakPolarHBondContact O-CB 3.46Å; L59-N63 PolarHBondContact O-N 3.28Å; L59-N63 PolarHBondContact O-ND2 3.05Å; L59-M86 HydrophobicContact CB-CG 4.38Å; L59-M86 HydrophobicContact CD1-SD 4.19Å; L59-M86 HydrophobicContact CD2-SD 4.49Å; L59-M90 HydrophobicContact CB-CG 3.74Å; L59-M90 HydrophobicContact CB-SD 4.17Å; L59-M90 HydrophobicContact CD1-CE 3.92Å; L59-M90 HydrophobicContact CD1-CG 4.15Å; L59-M90 HydrophobicContact CD1-SD 3.55Å; L59-M90 VanDerWaalsContact CD1-SD 3.55Å; L59-E181 HydrophobicContact CD2-CG 4.12Å; L59-L184 HydrophobicContact CD1-CD1 4.11Å; L59-L184 HydrophobicContact CD1-CD2 4.26Å; L59-L184 HydrophobicContact CD2-CD1 4.16Å; L59-L184 HydrophobicContact CD2-CD2 4.1Å; L59-L184 HydrophobicContact CG-CD1 3.79Å; L59-L184 HydrophobicContact CG-CD2 4.36Å |
| 60 | L | 98.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -59.9 | -47.7 | 176.9 | -75.7 | 162.3 | 0 | 0 | 0 | 111.3 | C56 F57 N63 I64 I87 M90 L91 L94 W137 L149 | C56-L60 HydrophobicContact CB-CD1 4.38Å; C56-L60 VanDerWaalsContact O-CB 3.26Å; C56-L60 WeakPolarHBondContact O-CB 3.35Å; C56-L60 VanDerWaalsContact O-CD1 3.28Å; C56-L60 WeakPolarHBondContact O-CD1 3.08Å; C56-L60 WeakPolarHBondContact O-CG 3.49Å; C56-L60 PolarHBondContact O-N 3.24Å; F57-L60 PolarHBondContact O-N 3.44Å; L60-N63 PolarHBondContact O-N 2.9Å; L60-I64 WeakPolarHBondContact O-CB 3.39Å; L60-I64 WeakPolarHBondContact O-CD1 3.48Å; L60-I64 VanDerWaalsContact O-CG1 3.23Å; L60-I64 WeakPolarHBondContact O-CG1 3.38Å; L60-I64 PolarHBondContact O-N 3.38Å; L60-I87 HydrophobicContact CD2-CB 4.34Å; L60-I87 HydrophobicContact CD2-CG1 4.37Å; L60-I87 HydrophobicContact CD2-CG2 3.96Å; L60-M90 HydrophobicContact CD1-CB 4.18Å; L60-M90 HydrophobicContact CD2-CB 3.85Å; L60-M90 HydrophobicContact CG-CB 3.72Å; L60-M90 HydrophobicContact CG-CG 4.49Å; L60-L91 HydrophobicContact CD1-CD2 4.43Å; L60-L91 HydrophobicContact CD2-CD2 4.07Å; L60-L91 HydrophobicContact CD2-CG 4.02Å; L60-L94 HydrophobicContact CD1-CD2 4.04Å; L60-W137 HydrophobicContact CD1-CZ2 3.94Å; L60-L149 HydrophobicContact CB-CD2 3.84Å; L60-L149 HydrophobicContact CD1-CD1 3.94Å; L60-L149 HydrophobicContact CD1-CD2 4.32Å; L60-L149 HydrophobicContact CD2-CD1 4.26Å |
| 61 | I | 98.2 | Very high | 94.9 | Very high | 10 Ų | 10 | 25.6 Ų | 25.6 | 5% | 0.051 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65 | -49.5 | -179.1 | -64 | -62.1 | 0 | 0 | 0 | 111.7 | F57 I58 L59 N63 I64 L65 F148 L149 F152 I180 | F57-I61 HydrophobicContact CD2-CD1 4.49Å; F57-I61 HydrophobicContact CD2-CG1 3.79Å; F57-I61 HydrophobicContact CE2-CD1 3.93Å; F57-I61 HydrophobicContact CE2-CG1 3.43Å; F57-I61 VanDerWaalsContact CE2-CG1 3.43Å; F57-I61 HydrophobicContact CZ-CG1 3.88Å; F57-I61 WeakPolarHBondContact O-CG1 3.1Å; F57-I61 PolarHBondContact O-N 3.22Å; I58-I61 PolarHBondContact O-N 2.99Å; L59-I61 PolarHBondContact O-N 2.95Å; I61-N63 VanDerWaalsContact C-N 3.32Å; I61-N63 PolarHBondContact O-N 3.37Å; I61-I64 PolarHBondContact O-N 2.91Å; I61-L65 HydrophobicContact CG2-CD1 4.1Å; I61-L65 WeakPolarHBondContact O-CG 3.42Å; I61-L65 PolarHBondContact O-N 3.29Å; I61-F148 HydrophobicContact CD1-CE1 3.83Å; I61-L149 HydrophobicContact CD1-CD2 4.39Å; I61-F152 HydrophobicContact CD1-CD1 3.61Å; I61-F152 HydrophobicContact CD1-CD2 4.02Å; I61-F152 HydrophobicContact CD1-CE1 3.71Å; I61-F152 HydrophobicContact CD1-CE2 4.11Å; I61-F152 HydrophobicContact CD1-CG 3.78Å; I61-F152 HydrophobicContact CD1-CZ 3.96Å; I61-F152 HydrophobicContact CG2-CE1 3.99Å; I61-F152 HydrophobicContact CG2-CE2 4.28Å; I61-F152 HydrophobicContact CG2-CZ 3.63Å; I61-I180 HydrophobicContact CG2-CD1 4.09Å |
| 62 | S | 98 | Very high | 95.6 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -56 | -46.5 | 177.2 | 165.9 | 0 | 0 | 0 | 0 | 111.9 | I58 L65 R66 A177 E181 | I58-S62 VanDerWaalsContact O-CB 3.25Å; I58-S62 WeakPolarHBondContact O-CB 3.24Å; I58-S62 PolarHBondContact O-N 3.14Å; S62-L65 PolarHBondContact O-N 3.38Å; S62-R66 WeakPolarHBondContact O-CB 3.27Å; S62-R66 PolarHBondContact O-N 3.03Å; S62-A177 VanDerWaalsContact CB-O 3.32Å; S62-A177 WeakPolarHBondContact CB-O 3.15Å; S62-A177 PolarHBondContact OG-O 3.02Å; S62-E181 WeakPolarHBondContact OG-CB 3.46Å |
| 63 | N | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -71.8 | -34.5 | -176 | -77.3 | -93.6 | 0 | 0 | 0 | 112.9 | L59 L60 I61 R66 I67 S83 M86 I87 | L59-N63 VanDerWaalsContact O-CB 3.25Å; L59-N63 WeakPolarHBondContact O-CB 3.46Å; L59-N63 PolarHBondContact O-N 3.28Å; L59-N63 PolarHBondContact O-ND2 3.05Å; L60-N63 PolarHBondContact O-N 2.9Å; I61-N63 VanDerWaalsContact C-N 3.32Å; I61-N63 PolarHBondContact O-N 3.37Å; N63-R66 PolarHBondContact O-N 2.84Å; N63-R66 PolarHBondContact OD1-NH2 3.32Å; N63-I67 WeakPolarHBondContact O-CG1 3.44Å; N63-I67 PolarHBondContact O-N 3.34Å; N63-S83 WeakPolarHBondContact OD1-CA 3.45Å; N63-M86 WeakPolarHBondContact ND2-CG 3.32Å; N63-M86 WeakPolarHBondContact OD1-CB 3.35Å; N63-I87 HydrophobicContact CB-CD1 3.93Å; N63-I87 HydrophobicContact CB-CG1 3.62Å |
| 64 | I | 98.7 | Very high | 96.2 | Very high | 15 Ų | 15 | 29.8 Ų | 29.8 | 8% | 0.077 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.2 | -49.9 | 171.6 | -71.1 | 164.1 | 0 | 0 | 0 | 110 | L60 I61 R66 I67 L68 I87 L149 F152 T153 | L60-I64 WeakPolarHBondContact O-CB 3.39Å; L60-I64 WeakPolarHBondContact O-CD1 3.48Å; L60-I64 VanDerWaalsContact O-CG1 3.23Å; L60-I64 WeakPolarHBondContact O-CG1 3.38Å; L60-I64 PolarHBondContact O-N 3.38Å; I61-I64 PolarHBondContact O-N 2.91Å; I64-R66 PolarHBondContact O-N 2.93Å; I64-I67 PolarHBondContact O-N 3.48Å; I64-L68 HydrophobicContact CG2-CD1 4.45Å; I64-L68 WeakPolarHBondContact O-CG 3.21Å; I64-L68 PolarHBondContact O-N 3.17Å; I64-I87 HydrophobicContact CG1-CD1 3.91Å; I64-L149 HydrophobicContact CD1-CB 4.47Å; I64-L149 HydrophobicContact CD1-CD2 3.82Å; I64-F152 HydrophobicContact CB-CE1 4.28Å; I64-F152 HydrophobicContact CD1-CD1 4.29Å; I64-F152 HydrophobicContact CG2-CD1 4.01Å; I64-F152 HydrophobicContact CG2-CE1 3.92Å; I64-T153 HydrophobicContact CG2-CG2 4.24Å |
| 65 | L | 98.5 | Very high | 96.2 | Very high | 15 Ų | 15 | 26.7 Ų | 26.7 | 8% | 0.079 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.1 | -36.2 | 178.4 | -68.2 | 175.7 | 0 | 0 | 0 | 111.9 | I61 S62 L68 F69 F152 L173 T176 A177 I180 | I61-L65 HydrophobicContact CG2-CD1 4.1Å; I61-L65 WeakPolarHBondContact O-CG 3.42Å; I61-L65 PolarHBondContact O-N 3.29Å; S62-L65 PolarHBondContact O-N 3.38Å; L65-L68 PolarHBondContact O-N 2.72Å; L65-F69 WeakPolarHBondContact O-CB 3.29Å; L65-F69 PolarHBondContact O-N 2.9Å; L65-F152 HydrophobicContact CD1-CZ 4.22Å; L65-F152 HydrophobicContact CD2-CE1 4.07Å; L65-F152 HydrophobicContact CD2-CZ 3.76Å; L65-F152 HydrophobicContact CG-CE1 4.1Å; L65-F152 HydrophobicContact CG-CZ 3.91Å; L65-L173 HydrophobicContact CB-CD1 4.38Å; L65-L173 HydrophobicContact CD2-CD1 3.85Å; L65-T176 HydrophobicContact CD1-CG2 4.2Å; L65-A177 HydrophobicContact CB-CB 3.65Å; L65-I180 HydrophobicContact CD1-CD1 3.88Å |
| 66 | R | 97.1 | Very high | 96.1 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 0% | 0.004 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -68.4 | -36.1 | 177.6 | -169.1 | 165 | 59.4 | -174.1 | 3.5 | 112.9 | S62 N63 I64 F69 W70 F75 Q82 S83 A177 E181 K216 | S62-R66 WeakPolarHBondContact O-CB 3.27Å; S62-R66 PolarHBondContact O-N 3.03Å; N63-R66 PolarHBondContact O-N 2.84Å; N63-R66 PolarHBondContact OD1-NH2 3.32Å; I64-R66 PolarHBondContact O-N 2.93Å; R66-F69 PolarHBondContact O-N 2.97Å; R66-W70 PolarHBondContact O-N 2.67Å; R66-F75 HydrophobicContact CG-CE1 4.03Å; R66-F75 HydrophobicContact CG-CE2 4.5Å; R66-F75 HydrophobicContact CG-CZ 3.62Å; R66-F75 WeakPolarHBondContact O-CE1 3.46Å; R66-Q82 VanDerWaalsContact NH2-CD 3.33Å; R66-S83 VanDerWaalsContact CZ-OG 3.32Å; R66-S83 PolarHBondContact NE-OG 3.46Å; R66-S83 PolarHBondContact NH2-OG 3.44Å; R66-S83 VanDerWaalsContact NH2-OG 3.13Å; R66-A177 HydrophobicContact CB-CB 4.14Å; R66-E181 IonicContact CZ-OE2 3.52Å; R66-E181 IonicContact NH1-OE1 3.69Å; R66-E181 IonicContact NH1-OE2 2.66Å; R66-E181 PolarHBondContact NH1-OE2 3.35Å; R66-E181 IonicContact NH2-OE2 3.98Å; R66-K216 VanDerWaalsContact NH1-NZ 3.16Å |
| 67 | I | 98.3 | Very high | 95.9 | Very high | 20 Ų | 20 | 31 Ų | 31 | 10% | 0.103 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.4 | -45.1 | 171.5 | -69.7 | 163.3 | 0 | 0 | 0 | 110.2 | N63 I64 F69 W70 F71 L80 F84 I87 | N63-I67 WeakPolarHBondContact O-CG1 3.44Å; N63-I67 PolarHBondContact O-N 3.34Å; I64-I67 PolarHBondContact O-N 3.48Å; I67-F69 VanDerWaalsContact C-N 3.33Å; I67-F69 PolarHBondContact O-N 3.27Å; I67-W70 WeakPolarHBondContact O-CB 3.36Å; I67-W70 PolarHBondContact O-N 3.44Å; I67-F71 HydrophobicContact CG2-CD2 4.42Å; I67-F71 HydrophobicContact CG2-CE2 3.93Å; I67-F71 VanDerWaalsContact O-CD2 3.27Å; I67-F71 WeakPolarHBondContact O-CD2 3.35Å; I67-F71 PolarHBondContact O-N 3.26Å; I67-L80 HydrophobicContact CB-CD1 4.38Å; I67-L80 HydrophobicContact CG1-CD1 3.97Å; I67-L80 HydrophobicContact CG2-CD1 4.4Å; I67-F84 HydrophobicContact CD1-CD1 3.85Å; I67-F84 HydrophobicContact CD1-CE1 3.67Å; I67-F84 HydrophobicContact CD1-CE2 4.38Å; I67-F84 HydrophobicContact CD1-CG 4.28Å; I67-F84 HydrophobicContact CD1-CZ 3.95Å; I67-F84 HydrophobicContact CG1-CE1 4.43Å; I67-F84 HydrophobicContact CG1-CE2 4.4Å; I67-F84 HydrophobicContact CG1-CZ 4.22Å; I67-F84 HydrophobicContact CG2-CZ 4.09Å; I67-I87 HydrophobicContact CD1-CD1 3.5Å; I67-I87 VanDerWaalsContact CD1-CD1 3.5Å |
| 68 | L | 98.1 | Very high | 95.7 | Very high | 23 Ų | 23 | 29.6 Ų | 29.6 | 12% | 0.12 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.3 | -41.9 | 175.6 | -66.9 | 177.7 | 0 | 0 | 0 | 112 | I64 L65 W70 F71 S156 T160 L173 | I64-L68 HydrophobicContact CG2-CD1 4.45Å; I64-L68 WeakPolarHBondContact O-CG 3.21Å; I64-L68 PolarHBondContact O-N 3.17Å; L65-L68 PolarHBondContact O-N 2.72Å; L68-W70 VanDerWaalsContact C-N 3.28Å; L68-W70 PolarHBondContact O-N 3.05Å; L68-F71 PolarHBondContact O-N 3.39Å; L68-S156 WeakPolarHBondContact CD1-OG 3.5Å; L68-T160 HydrophobicContact CB-CG2 4.46Å; L68-L173 HydrophobicContact CB-CD2 4.4Å |
| 69 | F | 96.9 | Very high | 95.5 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.009 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.4 | -39.8 | 176.1 | 179.1 | -121.7 | 0 | 0 | 0 | 111.9 | L65 R66 I67 F71 V72 Q73 F75 V170 L173 F229 | L65-F69 WeakPolarHBondContact O-CB 3.29Å; L65-F69 PolarHBondContact O-N 2.9Å; R66-F69 PolarHBondContact O-N 2.97Å; I67-F69 VanDerWaalsContact C-N 3.33Å; I67-F69 PolarHBondContact O-N 3.27Å; F69-F71 VanDerWaalsContact C-N 3.27Å; F69-F71 PolarHBondContact O-N 3.04Å; F69-V72 HydrophobicContact CD2-CG2 4.12Å; F69-V72 WeakPolarHBondContact O-CG2 3.48Å; F69-V72 PolarHBondContact O-N 3.26Å; F69-V72 VanDerWaalsContact O-N 3.14Å; F69-Q73 HydrophobicContact CD2-CB 4.41Å; F69-Q73 HydrophobicContact CE2-CB 3.69Å; F69-Q73 HydrophobicContact CE2-CG 4.39Å; F69-Q73 HydrophobicContact CZ-CB 3.8Å; F69-Q73 HydrophobicContact CZ-CG 4.07Å; F69-Q73 PolarHBondContact O-N 3.45Å; F69-F75 AromaticContact CD1-CD1 3.82Å; F69-F75 HydrophobicContact CD1-CD1 3.82Å; F69-F75 AromaticContact CD1-CE1 3.76Å; F69-F75 HydrophobicContact CD1-CE1 3.76Å; F69-F75 AromaticContact CE1-CD1 3.94Å; F69-F75 HydrophobicContact CE1-CD1 3.94Å; F69-F75 HydrophobicContact CE1-CE1 4.35Å; F69-V170 HydrophobicContact CD2-CG1 4.35Å; F69-V170 WeakPolarHBondContact CD2-O 3.36Å; F69-V170 HydrophobicContact CE2-CG1 3.79Å; F69-V170 VanDerWaalsContact CE2-O 3.24Å; F69-V170 WeakPolarHBondContact CE2-O 3.49Å; F69-L173 HydrophobicContact CB-CD2 4.12Å; F69-L173 HydrophobicContact CB-CG 4.11Å; F69-L173 HydrophobicContact CD2-CD2 4.45Å; F69-L173 HydrophobicContact CD2-CG 4.44Å; F69-F229 HydrophobicContact CE1-CE2 4.27Å |
| 70 | W | 96.3 | Very high | 95.4 | Very high | 62 Ų | 62 | 29.8 Ų | 29.8 | 24% | 0.235 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.1 | -35.9 | 178.5 | -172.1 | 88 | 0 | 0 | 0 | 113.1 | R66 I67 L68 V72 Q73 P74 F75 T77 L80 | R66-W70 PolarHBondContact O-N 2.67Å; I67-W70 WeakPolarHBondContact O-CB 3.36Å; I67-W70 PolarHBondContact O-N 3.44Å; L68-W70 VanDerWaalsContact C-N 3.28Å; L68-W70 PolarHBondContact O-N 3.05Å; W70-V72 VanDerWaalsContact C-N 3.3Å; W70-V72 PolarHBondContact O-N 2.85Å; W70-Q73 CarbonylContact O-C 3.56Å; W70-P74 WeakPolarHBondContact O-CA 3.28Å; W70-F75 HydrophobicContact CB-CD1 4.21Å; W70-F75 HydrophobicContact CB-CE1 3.52Å; W70-F75 HydrophobicContact CB-CZ 3.77Å; W70-F75 AromaticContact CD1-CD1 3.82Å; W70-F75 AromaticContact CD1-CD2 3.91Å; W70-F75 AromaticContact CD1-CE1 3.75Å; W70-F75 AromaticContact CD1-CE2 3.83Å; W70-F75 AromaticContact CD1-CG 3.89Å; W70-F75 AromaticContact CD1-CZ 3.74Å; W70-F75 HydrophobicContact CG-CD1 4.42Å; W70-F75 HydrophobicContact CG-CE1 4.06Å; W70-F75 HydrophobicContact CG-CZ 4.14Å; W70-F75 PolarHBondContact NE1-O 3.4Å; W70-T77 HydrophobicContact CZ2-CG2 4.29Å; W70-L80 HydrophobicContact CB-CD1 3.88Å; W70-L80 HydrophobicContact CD2-CD1 4.2Å; W70-L80 HydrophobicContact CD2-CD2 3.66Å; W70-L80 HydrophobicContact CD2-CG 4.38Å; W70-L80 HydrophobicContact CE3-CD2 3.9Å; W70-L80 HydrophobicContact CG-CB 4.37Å; W70-L80 HydrophobicContact CG-CD1 3.87Å; W70-L80 HydrophobicContact CG-CD2 4.09Å; W70-L80 HydrophobicContact CG-CG 4.32Å; W70-L80 HydrophobicContact CH2-CD2 4.27Å; W70-L80 HydrophobicContact CZ2-CD2 4.04Å; W70-L80 HydrophobicContact CZ3-CD2 4.2Å |
| 71 | F | 96 | Very high | 95.2 | Very high | 145 Ų | 145 | 35.3 Ų | 35.3 | 64% | 0.636 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -67.8 | -27.9 | 178.4 | -77.1 | -71.7 | 0 | 0 | 0 | 113.6 | I67 L68 F69 | I67-F71 HydrophobicContact CG2-CD2 4.42Å; I67-F71 HydrophobicContact CG2-CE2 3.93Å; I67-F71 VanDerWaalsContact O-CD2 3.27Å; I67-F71 WeakPolarHBondContact O-CD2 3.35Å; I67-F71 PolarHBondContact O-N 3.26Å; L68-F71 PolarHBondContact O-N 3.39Å; F69-F71 VanDerWaalsContact C-N 3.27Å; F69-F71 PolarHBondContact O-N 3.04Å |
| 72 | V | 96.2 | Very high | 95.1 | Very high | 42 Ų | 42 | 34.9 Ų | 34.9 | 26% | 0.255 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -96.6 | -29.6 | 178.6 | -67 | 0 | 0 | 0 | 0 | 112.9 | F69 W70 T160 V170 L173 | F69-V72 HydrophobicContact CD2-CG2 4.12Å; F69-V72 WeakPolarHBondContact O-CG2 3.48Å; F69-V72 PolarHBondContact O-N 3.26Å; F69-V72 VanDerWaalsContact O-N 3.14Å; W70-V72 VanDerWaalsContact C-N 3.3Å; W70-V72 PolarHBondContact O-N 2.85Å; V72-T160 HydrophobicContact CG1-CG2 3.57Å; V72-T160 HydrophobicContact CG2-CG2 4.42Å; V72-V170 HydrophobicContact CB-CG1 4.47Å; V72-V170 HydrophobicContact CB-CG2 4.1Å; V72-V170 HydrophobicContact CG2-CG1 3.99Å; V72-V170 HydrophobicContact CG2-CG2 4.1Å; V72-L173 HydrophobicContact CG2-CD2 4.07Å |
| 73 | Q | 93.9 | Very high | 95 | Very high | 51 Ų | 51 | 34.9 Ų | 34.9 | 24% | 0.238 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -144.7 | 96.1 | 175 | -174 | 175.4 | -16.2 | 0 | 0 | 109.6 | F69 W70 F75 V170 | F69-Q73 HydrophobicContact CD2-CB 4.41Å; F69-Q73 HydrophobicContact CE2-CB 3.69Å; F69-Q73 HydrophobicContact CE2-CG 4.39Å; F69-Q73 HydrophobicContact CZ-CB 3.8Å; F69-Q73 HydrophobicContact CZ-CG 4.07Å; F69-Q73 PolarHBondContact O-N 3.45Å; W70-Q73 CarbonylContact O-C 3.56Å; Q73-F75 PolarHBondContact O-N 3.25Å; Q73-V170 HydrophobicContact CB-CG1 3.81Å |
| 74 | P | 93.2 | Very high | 95 | Very high | 95 Ų | 95 | 39.7 Ų | 39.7 | 62% | 0.617 | 20% | 0.2 | S | C | * | . | trans | -60.3 | 138.7 | -178.4 | -25.5 | 34.8 | 0 | 0 | 0 | 112.6 | W70 | W70-P74 WeakPolarHBondContact O-CA 3.28Š| ||
| 75 | F | 90.7 | Very high | 94.9 | Very high | 12 Ų | 12 | 41.4 Ų | 41.4 | 5% | 0.053 | 21% | 0.209 | C | C | . | . | trans | -127.8 | 173 | 171 | 58.2 | -102 | 0 | 0 | 0 | 108.6 | R66 F69 W70 Q73 T77 L79 L80 F229 | R66-F75 HydrophobicContact CG-CE1 4.03Å; R66-F75 HydrophobicContact CG-CE2 4.5Å; R66-F75 HydrophobicContact CG-CZ 3.62Å; R66-F75 WeakPolarHBondContact O-CE1 3.46Å; F69-F75 AromaticContact CD1-CD1 3.82Å; F69-F75 HydrophobicContact CD1-CD1 3.82Å; F69-F75 AromaticContact CD1-CE1 3.76Å; F69-F75 HydrophobicContact CD1-CE1 3.76Å; F69-F75 AromaticContact CE1-CD1 3.94Å; F69-F75 HydrophobicContact CE1-CD1 3.94Å; F69-F75 HydrophobicContact CE1-CE1 4.35Å; W70-F75 HydrophobicContact CB-CD1 4.21Å; W70-F75 HydrophobicContact CB-CE1 3.52Å; W70-F75 HydrophobicContact CB-CZ 3.77Å; W70-F75 AromaticContact CD1-CD1 3.82Å; W70-F75 AromaticContact CD1-CD2 3.91Å; W70-F75 AromaticContact CD1-CE1 3.75Å; W70-F75 AromaticContact CD1-CE2 3.83Å; W70-F75 AromaticContact CD1-CG 3.89Å; W70-F75 AromaticContact CD1-CZ 3.74Å; W70-F75 HydrophobicContact CG-CD1 4.42Å; W70-F75 HydrophobicContact CG-CE1 4.06Å; W70-F75 HydrophobicContact CG-CZ 4.14Å; W70-F75 PolarHBondContact NE1-O 3.4Å; Q73-F75 PolarHBondContact O-N 3.25Å; F75-T77 PolarHBondContact O-N 2.94Å; F75-L79 HydrophobicContact CD2-CB 3.73Å; F75-L79 HydrophobicContact CD2-CD1 4.23Å; F75-L79 HydrophobicContact CE2-CB 3.59Å; F75-L80 HydrophobicContact CE2-CB 4.27Å; F75-F229 HydrophobicContact CB-CE2 4.4Å; F75-F229 HydrophobicContact CB-CZ 4.26Å; F75-F229 HydrophobicContact CD1-CE2 4.45Å; F75-F229 AromaticContact CD1-CZ 3.95Å; F75-F229 HydrophobicContact CD1-CZ 3.95Å; F75-F229 HydrophobicContact CD2-CZ 4.13Å; F75-F229 HydrophobicContact CE1-CZ 4.35Å; F75-F229 HydrophobicContact CG-CE2 4.39Å; F75-F229 AromaticContact CG-CZ 3.84Å; F75-F229 HydrophobicContact CG-CZ 3.84Å | ||
| 76 | P | 89 | Confident | 94.8 | Very high | 32 Ų | 32 | 40.9 Ų | 40.9 | 21% | 0.208 | 21% | 0.206 | C | C | . | . | trans | -48 | 128.6 | -174.9 | -31.3 | 36.4 | 0 | 0 | 0 | 113.5 | S78 L79 E223 | P76-S78 PolarHBondContact O-N 3.28Å; P76-S78 VanDerWaalsContact O-N 3.17Å; P76-L79 HydrophobicContact CB-CD1 4.36Å; P76-L79 HydrophobicContact CG-CD1 4.48Å; P76-L79 WeakPolarHBondContact O-CB 3.21Å; P76-L79 PolarHBondContact O-N 3.18Å; P76-E223 HydrophobicContact CG-CB 4.12Å; P76-E223 HydrophobicContact CG-CG 4.42Å | ||
| 77 | T | 90.7 | Very high | 94.9 | Very high | 74 Ų | 74 | 42.2 Ų | 42.2 | 45% | 0.454 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.1 | -28.4 | -172.4 | 50.7 | 0 | 0 | 0 | 0 | 112.9 | W70 F75 L79 L80 F81 | W70-T77 HydrophobicContact CZ2-CG2 4.29Å; F75-T77 PolarHBondContact O-N 2.94Å; T77-L79 PolarHBondContact O-N 2.89Å; T77-L80 WeakPolarHBondContact O-CA 3.5Å; T77-L80 WeakPolarHBondContact O-CB 3.3Å; T77-L80 PolarHBondContact O-N 3.4Å; T77-F81 VanDerWaalsContact O-CD2 3.27Å; T77-F81 WeakPolarHBondContact O-CD2 3.39Å; T77-F81 PolarHBondContact O-N 3.32Å |
| 78 | S | 91.2 | Very high | 94.9 | Very high | 8 Ų | 8 | 43.5 Ų | 43.5 | 6% | 0.056 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -54 | -40.5 | 171.8 | -56.7 | 0 | 0 | 0 | 0 | 112.3 | I28 P76 F81 Q82 | I28-S78 WeakPolarHBondContact CG1-O 3.36Å; P76-S78 PolarHBondContact O-N 3.28Å; P76-S78 VanDerWaalsContact O-N 3.17Å; S78-F81 PolarHBondContact O-N 2.97Å; S78-Q82 WeakPolarHBondContact O-CB 3.48Å; S78-Q82 PolarHBondContact O-N 2.65Å |
| 79 | L | 90.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -75 | -26.9 | 178 | -63.7 | 168.9 | 0 | 0 | 0 | 112.5 | F75 P76 T77 Q82 S83 Y219 F220 F229 | F75-L79 HydrophobicContact CD2-CB 3.73Å; F75-L79 HydrophobicContact CD2-CD1 4.23Å; F75-L79 HydrophobicContact CE2-CB 3.59Å; P76-L79 HydrophobicContact CB-CD1 4.36Å; P76-L79 HydrophobicContact CG-CD1 4.48Å; P76-L79 WeakPolarHBondContact O-CB 3.21Å; P76-L79 PolarHBondContact O-N 3.18Å; T77-L79 PolarHBondContact O-N 2.89Å; L79-Q82 WeakPolarHBondContact O-CB 3.38Å; L79-S83 PolarHBondContact O-N 3.22Å; L79-S83 PolarHBondContact O-OG 3.48Å; L79-Y219 HydrophobicContact CD1-CE1 4.33Å; L79-Y219 HydrophobicContact CD2-CD1 4.27Å; L79-Y219 HydrophobicContact CD2-CE1 4.29Å; L79-Y219 HydrophobicContact CG-CD1 4.5Å; L79-Y219 HydrophobicContact CG-CE1 4.12Å; L79-F220 HydrophobicContact CD1-CD1 4.05Å; L79-F220 HydrophobicContact CD1-CE1 3.67Å; L79-F220 HydrophobicContact CD2-CE1 3.67Å; L79-F220 HydrophobicContact CD2-CZ 4.49Å; L79-F220 HydrophobicContact CG-CE1 4.32Å; L79-F229 HydrophobicContact CD1-CD1 4.46Å; L79-F229 HydrophobicContact CD1-CE1 4.08Å |
| 80 | L | 94.4 | Very high | 94.8 | Very high | 17 Ų | 17 | 43.7 Ų | 43.7 | 9% | 0.089 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -68.4 | -50.5 | 172.3 | 176.3 | 68.9 | 0 | 0 | 0 | 109.6 | I67 W70 F75 T77 Q82 S83 F84 | I67-L80 HydrophobicContact CB-CD1 4.38Å; I67-L80 HydrophobicContact CG1-CD1 3.97Å; I67-L80 HydrophobicContact CG2-CD1 4.4Å; W70-L80 HydrophobicContact CB-CD1 3.88Å; W70-L80 HydrophobicContact CD2-CD1 4.2Å; W70-L80 HydrophobicContact CD2-CD2 3.66Å; W70-L80 HydrophobicContact CD2-CG 4.38Å; W70-L80 HydrophobicContact CE3-CD2 3.9Å; W70-L80 HydrophobicContact CG-CB 4.37Å; W70-L80 HydrophobicContact CG-CD1 3.87Å; W70-L80 HydrophobicContact CG-CD2 4.09Å; W70-L80 HydrophobicContact CG-CG 4.32Å; W70-L80 HydrophobicContact CH2-CD2 4.27Å; W70-L80 HydrophobicContact CZ2-CD2 4.04Å; W70-L80 HydrophobicContact CZ3-CD2 4.2Å; F75-L80 HydrophobicContact CE2-CB 4.27Å; T77-L80 WeakPolarHBondContact O-CA 3.5Å; T77-L80 WeakPolarHBondContact O-CB 3.3Å; T77-L80 PolarHBondContact O-N 3.4Å; L80-Q82 VanDerWaalsContact C-N 3.28Å; L80-Q82 PolarHBondContact O-N 2.82Å; L80-S83 WeakPolarHBondContact O-CA 3.37Å; L80-S83 VanDerWaalsContact O-CB 3.23Å; L80-S83 WeakPolarHBondContact O-CB 3.24Å; L80-S83 PolarHBondContact O-N 3.06Å; L80-F84 HydrophobicContact CD1-CE2 3.89Å; L80-F84 HydrophobicContact CD2-CE2 4.29Å; L80-F84 HydrophobicContact CG-CD2 4.31Å; L80-F84 HydrophobicContact CG-CE2 3.81Å; L80-F84 WeakPolarHBondContact O-CD2 3.4Å; L80-F84 PolarHBondContact O-N 3.32Å |
| 81 | F | 95.2 | Very high | 94.9 | Very high | 116 Ų | 116 | 42.9 Ų | 42.9 | 51% | 0.509 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60 | -39 | 176.1 | -77.2 | -64.4 | 0 | 0 | 0 | 112.1 | I28 T77 S78 S83 F84 I85 | I28-F81 HydrophobicContact CD1-CB 4.21Å; I28-F81 HydrophobicContact CG1-CB 4.01Å; I28-F81 HydrophobicContact CG2-CB 4.14Å; T77-F81 VanDerWaalsContact O-CD2 3.27Å; T77-F81 WeakPolarHBondContact O-CD2 3.39Å; T77-F81 PolarHBondContact O-N 3.32Å; S78-F81 PolarHBondContact O-N 2.97Å; F81-S83 PolarHBondContact O-N 3.39Å; F81-F84 PolarHBondContact O-N 3.03Å; F81-F84 VanDerWaalsContact O-N 3.14Å; F81-I85 WeakPolarHBondContact O-CG1 3.46Å; F81-I85 PolarHBondContact O-N 3.23Å |
| 82 | Q | 95.3 | Very high | 94.9 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.009 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -52.6 | -38 | 171 | -170 | -88.8 | -74.6 | 0 | 0 | 111.8 | Y27 I28 R66 S78 L79 L80 I85 M86 | Y27-Q82 WeakPolarHBondContact O-CG 3.2Å; I28-Q82 WeakPolarHBondContact O-CA 3.39Å; R66-Q82 VanDerWaalsContact NH2-CD 3.33Å; S78-Q82 WeakPolarHBondContact O-CB 3.48Å; S78-Q82 PolarHBondContact O-N 2.65Å; L79-Q82 WeakPolarHBondContact O-CB 3.38Å; L80-Q82 VanDerWaalsContact C-N 3.28Å; L80-Q82 PolarHBondContact O-N 2.82Å; Q82-I85 PolarHBondContact O-N 3.35Å; Q82-M86 WeakPolarHBondContact O-CB 3.47Å; Q82-M86 PolarHBondContact O-N 3.04Å |
| 83 | S | 97 | Very high | 94.8 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.6 | -42 | -179.9 | -52.8 | 0 | 0 | 0 | 0 | 113 | N63 R66 L79 L80 F81 M86 I87 | N63-S83 WeakPolarHBondContact OD1-CA 3.45Å; R66-S83 VanDerWaalsContact CZ-OG 3.32Å; R66-S83 PolarHBondContact NE-OG 3.46Å; R66-S83 PolarHBondContact NH2-OG 3.44Å; R66-S83 VanDerWaalsContact NH2-OG 3.13Å; L79-S83 PolarHBondContact O-N 3.22Å; L79-S83 PolarHBondContact O-OG 3.48Å; L80-S83 WeakPolarHBondContact O-CA 3.37Å; L80-S83 VanDerWaalsContact O-CB 3.23Å; L80-S83 WeakPolarHBondContact O-CB 3.24Å; L80-S83 PolarHBondContact O-N 3.06Å; F81-S83 PolarHBondContact O-N 3.39Å; S83-M86 PolarHBondContact O-N 2.81Å; S83-I87 WeakPolarHBondContact O-CG1 3.32Å; S83-I87 PolarHBondContact O-N 2.88Å |
| 84 | F | 97.8 | Very high | 94.8 | Very high | 101 Ų | 101 | 36.2 Ų | 36.2 | 44% | 0.443 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -63.7 | -45.5 | 174.5 | -71.1 | -71.1 | 0 | 0 | 0 | 112 | I67 L80 F81 M86 I87 A88 | I67-F84 HydrophobicContact CD1-CD1 3.85Å; I67-F84 HydrophobicContact CD1-CE1 3.67Å; I67-F84 HydrophobicContact CD1-CE2 4.38Å; I67-F84 HydrophobicContact CD1-CG 4.28Å; I67-F84 HydrophobicContact CD1-CZ 3.95Å; I67-F84 HydrophobicContact CG1-CE1 4.43Å; I67-F84 HydrophobicContact CG1-CE2 4.4Å; I67-F84 HydrophobicContact CG1-CZ 4.22Å; I67-F84 HydrophobicContact CG2-CZ 4.09Å; L80-F84 HydrophobicContact CD1-CE2 3.89Å; L80-F84 HydrophobicContact CD2-CE2 4.29Å; L80-F84 HydrophobicContact CG-CD2 4.31Å; L80-F84 HydrophobicContact CG-CE2 3.81Å; L80-F84 WeakPolarHBondContact O-CD2 3.4Å; L80-F84 PolarHBondContact O-N 3.32Å; F81-F84 PolarHBondContact O-N 3.03Å; F81-F84 VanDerWaalsContact O-N 3.14Å; F84-M86 VanDerWaalsContact C-N 3.31Å; F84-M86 PolarHBondContact O-N 3.41Å; F84-I87 PolarHBondContact O-N 3.09Å; F84-A88 PolarHBondContact O-N 3.19Å |
| 85 | I | 97.2 | Very high | 94.9 | Very high | 51 Ų | 51 | 36.9 Ų | 36.9 | 26% | 0.262 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.6 | -41.4 | 177.8 | -64.9 | -59.3 | 0 | 0 | 0 | 111.2 | I28 F29 A32 F81 Q82 A88 T89 | I28-I85 HydrophobicContact CG2-CG1 3.84Å; F29-I85 HydrophobicContact CD1-CG2 4.11Å; F29-I85 HydrophobicContact CE1-CD1 4.1Å; F29-I85 HydrophobicContact CE1-CG1 4.4Å; F29-I85 HydrophobicContact CE1-CG2 4.42Å; A32-I85 HydrophobicContact CB-CG2 3.94Å; F81-I85 WeakPolarHBondContact O-CG1 3.46Å; F81-I85 PolarHBondContact O-N 3.23Å; Q82-I85 PolarHBondContact O-N 3.35Å; I85-A88 PolarHBondContact O-N 3.04Å; I85-T89 WeakPolarHBondContact O-CB 3.4Å; I85-T89 PolarHBondContact O-N 3.46Å; I85-T89 PolarHBondContact O-OG1 2.92Å |
| 86 | M | 96.4 | Very high | 95 | Very high | 4 Ų | 4 | 36.6 Ų | 36.6 | 2% | 0.02 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.1 | -45.7 | 176.5 | -174.4 | 63.8 | 74 | 0 | 0 | 112 | G31 Y35 L59 N63 Q82 S83 F84 A88 T89 M90 | G31-M86 WeakPolarHBondContact O-CE 3.28Å; Y35-M86 HydrophobicContact CD2-SD 4.4Å; Y35-M86 HydrophobicContact CE2-CE 4.13Å; Y35-M86 HydrophobicContact CE2-SD 3.98Å; L59-M86 HydrophobicContact CB-CG 4.38Å; L59-M86 HydrophobicContact CD1-SD 4.19Å; L59-M86 HydrophobicContact CD2-SD 4.49Å; N63-M86 WeakPolarHBondContact ND2-CG 3.32Å; N63-M86 WeakPolarHBondContact OD1-CB 3.35Å; Q82-M86 WeakPolarHBondContact O-CB 3.47Å; Q82-M86 PolarHBondContact O-N 3.04Å; S83-M86 PolarHBondContact O-N 2.81Å; F84-M86 VanDerWaalsContact C-N 3.31Å; F84-M86 PolarHBondContact O-N 3.41Å; M86-A88 VanDerWaalsContact C-N 3.33Å; M86-A88 PolarHBondContact O-N 3.46Å; M86-T89 PolarHBondContact O-N 3.42Å; M86-M90 HydrophobicContact CG-CG 4.38Å; M86-M90 WeakPolarHBondContact O-CB 3.11Å; M86-M90 WeakPolarHBondContact O-CG 3.48Å; M86-M90 PolarHBondContact O-N 2.62Å; M86-M90 HydrophobicContact SD-CE 3.74Å; M86-M90 HydrophobicContact SD-CG 4.26Å |
| 87 | I | 98.2 | Very high | 95.2 | Very high | 29 Ų | 29 | 35.4 Ų | 35.4 | 15% | 0.149 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.6 | -48.2 | 176.2 | -72.2 | 169.7 | 0 | 0 | 0 | 110.2 | L60 N63 I64 I67 S83 F84 T89 M90 L91 | L60-I87 HydrophobicContact CD2-CB 4.34Å; L60-I87 HydrophobicContact CD2-CG1 4.37Å; L60-I87 HydrophobicContact CD2-CG2 3.96Å; N63-I87 HydrophobicContact CB-CD1 3.93Å; N63-I87 HydrophobicContact CB-CG1 3.62Å; I64-I87 HydrophobicContact CG1-CD1 3.91Å; I67-I87 HydrophobicContact CD1-CD1 3.5Å; I67-I87 VanDerWaalsContact CD1-CD1 3.5Å; S83-I87 WeakPolarHBondContact O-CG1 3.32Å; S83-I87 PolarHBondContact O-N 2.88Å; F84-I87 PolarHBondContact O-N 3.09Å; I87-T89 VanDerWaalsContact C-N 3.35Å; I87-T89 PolarHBondContact O-N 2.94Å; I87-M90 PolarHBondContact O-N 2.87Å; I87-L91 HydrophobicContact CG2-CD1 3.92Å; I87-L91 HydrophobicContact CG2-CG 4.32Å; I87-L91 WeakPolarHBondContact O-CB 3.49Å; I87-L91 VanDerWaalsContact O-CG 3.31Å; I87-L91 WeakPolarHBondContact O-CG 3.17Å; I87-L91 PolarHBondContact O-N 3.31Å |
| 88 | A | 98 | Very high | 95.2 | Very high | 47 Ų | 47 | 32.3 Ų | 32.3 | 39% | 0.388 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -59.1 | -46.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F84 I85 M86 M90 L91 I92 | F84-A88 PolarHBondContact O-N 3.19Å; I85-A88 PolarHBondContact O-N 3.04Å; M86-A88 VanDerWaalsContact C-N 3.33Å; M86-A88 PolarHBondContact O-N 3.46Å; A88-M90 PolarHBondContact O-N 2.99Å; A88-L91 PolarHBondContact O-N 3.02Å; A88-I92 VanDerWaalsContact O-CG1 3.3Å; A88-I92 WeakPolarHBondContact O-CG1 3.36Å; A88-I92 PolarHBondContact O-N 3.09Å |
| 89 | T | 96.8 | Very high | 95.2 | Very high | 29 Ų | 29 | 35.8 Ų | 35.8 | 18% | 0.178 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.6 | -45 | 178.4 | -57.5 | 0 | 0 | 0 | 0 | 111.3 | A32 I85 M86 I87 I92 L93 | A32-T89 HydrophobicContact CB-CG2 4.12Å; A32-T89 WeakPolarHBondContact CB-OG1 3.3Å; I85-T89 WeakPolarHBondContact O-CB 3.4Å; I85-T89 PolarHBondContact O-N 3.46Å; I85-T89 PolarHBondContact O-OG1 2.92Å; M86-T89 PolarHBondContact O-N 3.42Å; I87-T89 VanDerWaalsContact C-N 3.35Å; I87-T89 PolarHBondContact O-N 2.94Å; T89-I92 PolarHBondContact O-N 3.46Å; T89-L93 HydrophobicContact CG2-CD1 4.17Å; T89-L93 PolarHBondContact O-N 3.25Å |
| 90 | M | 96.9 | Very high | 95 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.9 | -37.4 | 179 | -69.3 | -52.9 | 114.5 | 0 | 0 | 112.7 | Y35 C56 L59 L60 M86 I87 A88 L93 L94 | Y35-M90 HydrophobicContact CD1-CE 3.64Å; Y35-M90 HydrophobicContact CD2-CE 3.52Å; Y35-M90 HydrophobicContact CE1-CE 3.88Å; Y35-M90 HydrophobicContact CE2-CE 3.77Å; Y35-M90 HydrophobicContact CG-CE 3.48Å; Y35-M90 VanDerWaalsContact CG-CE 3.48Å; C56-M90 HydrophobicContact CB-CB 4.39Å; C56-M90 HydrophobicContact CB-SD 4.22Å; L59-M90 HydrophobicContact CB-CG 3.74Å; L59-M90 HydrophobicContact CB-SD 4.17Å; L59-M90 HydrophobicContact CD1-CE 3.92Å; L59-M90 HydrophobicContact CD1-CG 4.15Å; L59-M90 HydrophobicContact CD1-SD 3.55Å; L59-M90 VanDerWaalsContact CD1-SD 3.55Å; L60-M90 HydrophobicContact CD1-CB 4.18Å; L60-M90 HydrophobicContact CD2-CB 3.85Å; L60-M90 HydrophobicContact CG-CB 3.72Å; L60-M90 HydrophobicContact CG-CG 4.49Å; M86-M90 HydrophobicContact CG-CG 4.38Å; M86-M90 WeakPolarHBondContact O-CB 3.11Å; M86-M90 WeakPolarHBondContact O-CG 3.48Å; M86-M90 PolarHBondContact O-N 2.62Å; M86-M90 HydrophobicContact SD-CE 3.74Å; M86-M90 HydrophobicContact SD-CG 4.26Å; I87-M90 PolarHBondContact O-N 2.87Å; A88-M90 PolarHBondContact O-N 2.99Å; M90-L93 HydrophobicContact CE-CD1 4.07Å; M90-L93 PolarHBondContact O-N 2.88Å; M90-L94 WeakPolarHBondContact O-CB 3.39Å; M90-L94 PolarHBondContact O-N 3.2Å |
| 91 | L | 97.7 | Very high | 94.6 | Very high | 45 Ų | 45 | 37 Ų | 37 | 24% | 0.236 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64 | -41.1 | 173.8 | -71.4 | 176.6 | 0 | 0 | 0 | 111.8 | L60 I87 A88 L94 R95 F142 L146 L149 | L60-L91 HydrophobicContact CD1-CD2 4.43Å; L60-L91 HydrophobicContact CD2-CD2 4.07Å; L60-L91 HydrophobicContact CD2-CG 4.02Å; I87-L91 HydrophobicContact CG2-CD1 3.92Å; I87-L91 HydrophobicContact CG2-CG 4.32Å; I87-L91 WeakPolarHBondContact O-CB 3.49Å; I87-L91 VanDerWaalsContact O-CG 3.31Å; I87-L91 WeakPolarHBondContact O-CG 3.17Å; I87-L91 PolarHBondContact O-N 3.31Å; A88-L91 PolarHBondContact O-N 3.02Å; L91-L94 PolarHBondContact O-N 2.84Å; L91-R95 VanDerWaalsContact O-CB 3.3Å; L91-R95 WeakPolarHBondContact O-CB 3.31Å; L91-R95 PolarHBondContact O-N 3.01Å; L91-F142 HydrophobicContact CB-CZ 4.4Å; L91-F142 HydrophobicContact CD2-CE2 4.39Å; L91-F142 HydrophobicContact CD2-CZ 4.21Å; L91-F142 WeakPolarHBondContact O-CE2 3.35Å; L91-L146 HydrophobicContact CD2-CD2 3.78Å; L91-L149 HydrophobicContact CD2-CD1 3.71Å |
| 92 | I | 96.6 | Very high | 93.6 | Very high | 95 Ų | 95 | 33.5 Ų | 33.5 | 49% | 0.487 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -63.3 | -45.9 | 176.4 | -69 | 164.9 | 0 | 0 | 0 | 111.1 | Y39 A88 T89 R95 T96 | Y39-I92 HydrophobicContact CD2-CG2 4.28Å; Y39-I92 HydrophobicContact CE2-CG2 3.93Å; A88-I92 VanDerWaalsContact O-CG1 3.3Å; A88-I92 WeakPolarHBondContact O-CG1 3.36Å; A88-I92 PolarHBondContact O-N 3.09Å; T89-I92 PolarHBondContact O-N 3.46Å; I92-R95 PolarHBondContact O-N 2.93Å; I92-T96 PolarHBondContact O-N 3.15Å; I92-T96 PolarHBondContact O-OG1 3.42Å |
| 93 | L | 94.4 | Very high | 92.2 | Very high | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.3 | -45.5 | 176 | -92.2 | 150.3 | 0 | 0 | 0 | 112 | Y35 I42 F51 T89 M90 R95 T96 I97 | Y35-L93 HydrophobicContact CD1-CD1 4.36Å; Y35-L93 HydrophobicContact CG-CD1 4.27Å; I42-L93 HydrophobicContact CD1-CD2 4.06Å; F51-L93 HydrophobicContact CE1-CD2 4.47Å; T89-L93 HydrophobicContact CG2-CD1 4.17Å; T89-L93 PolarHBondContact O-N 3.25Å; M90-L93 HydrophobicContact CE-CD1 4.07Å; M90-L93 PolarHBondContact O-N 2.88Å; L93-R95 VanDerWaalsContact C-N 3.33Å; L93-R95 PolarHBondContact O-N 3.35Å; L93-T96 WeakPolarHBondContact O-CB 3.38Å; L93-T96 PolarHBondContact O-N 3.45Å; L93-T96 VanDerWaalsContact O-N 3.12Å; L93-I97 WeakPolarHBondContact O-CD1 3.03Å; L93-I97 VanDerWaalsContact O-CG1 3.29Å; L93-I97 WeakPolarHBondContact O-CG1 3.34Å; L93-I97 PolarHBondContact O-N 3.22Å |
| 94 | L | 94.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.5 | -39.8 | 178.7 | -170.7 | 63 | 0 | 0 | 0 | 111.8 | C56 L60 M90 L91 T96 I97 T98 W137 F142 Y145 | C56-L94 HydrophobicContact CB-CB 4.46Å; C56-L94 HydrophobicContact CB-CD1 4.33Å; L60-L94 HydrophobicContact CD1-CD2 4.04Å; M90-L94 WeakPolarHBondContact O-CB 3.39Å; M90-L94 PolarHBondContact O-N 3.2Å; L91-L94 PolarHBondContact O-N 2.84Å; L94-T96 VanDerWaalsContact C-N 3.32Å; L94-T96 PolarHBondContact O-N 2.88Å; L94-I97 PolarHBondContact O-N 3.07Å; L94-T98 WeakPolarHBondContact O-CB 3.27Å; L94-T98 WeakPolarHBondContact O-CG2 3.43Å; L94-T98 PolarHBondContact O-N 3.01Å; L94-T98 PolarHBondContact O-OG1 2.83Å; L94-W137 HydrophobicContact CD2-CZ2 4.08Å; L94-F142 HydrophobicContact CB-CE2 4.29Å; L94-F142 HydrophobicContact CD2-CE2 4.4Å; L94-F142 HydrophobicContact CG-CD2 4.42Å; L94-F142 HydrophobicContact CG-CE2 4.35Å; L94-Y145 HydrophobicContact CD1-CD1 4Å; L94-Y145 HydrophobicContact CD1-CE1 3.82Å; L94-Y145 HydrophobicContact CD1-CG 4.46Å; L94-Y145 HydrophobicContact CD2-CD1 3.63Å; L94-Y145 HydrophobicContact CD2-CD2 4.47Å; L94-Y145 HydrophobicContact CD2-CE1 4.32Å; L94-Y145 HydrophobicContact CD2-CG 3.68Å; L94-Y145 HydrophobicContact CG-CD1 4.16Å; L94-Y145 HydrophobicContact CG-CE1 4.43Å; L94-Y145 HydrophobicContact CG-CG 4.19Å |
| 95 | R | 94.8 | Very high | 88.7 | Confident | 109 Ų | 109 | 49 Ų | 49 | 41% | 0.411 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.7 | -44.1 | 171.8 | 179.5 | 59.6 | 175.3 | -169.4 | -3 | 111.3 | L91 I92 L93 T98 Q99 F142 | L91-R95 VanDerWaalsContact O-CB 3.3Å; L91-R95 WeakPolarHBondContact O-CB 3.31Å; L91-R95 PolarHBondContact O-N 3.01Å; I92-R95 PolarHBondContact O-N 2.93Å; L93-R95 VanDerWaalsContact C-N 3.33Å; L93-R95 PolarHBondContact O-N 3.35Å; R95-T98 WeakPolarHBondContact CA-OG1 3.24Å; R95-T98 PolarHBondContact O-N 3.28Å; R95-T98 PolarHBondContact O-OG1 3.46Å; R95-Q99 WeakPolarHBondContact O-CB 3.22Å; R95-Q99 VanDerWaalsContact O-CG 3.27Å; R95-Q99 WeakPolarHBondContact O-CG 3.31Å; R95-Q99 PolarHBondContact O-N 3.47Å; R95-F142 HydrophobicContact CB-CD2 3.99Å; R95-F142 HydrophobicContact CB-CE1 4.45Å; R95-F142 HydrophobicContact CB-CE2 3.83Å; R95-F142 HydrophobicContact CB-CG 4.39Å; R95-F142 HydrophobicContact CB-CZ 4.07Å |
| 96 | T | 93.3 | Very high | 85.8 | Confident | 6 Ų | 6 | 51 Ų | 51 | 4% | 0.037 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63 | -44.5 | 178 | -55.4 | 0 | 0 | 0 | 0 | 111.4 | Y39 I42 R43 I92 L93 L94 Q99 L100 | Y39-T96 HydrophobicContact CE2-CG2 4.42Å; Y39-T96 WeakPolarHBondContact CE2-OG1 3.34Å; I42-T96 HydrophobicContact CG2-CG2 3.79Å; R43-T96 HydrophobicContact CG-CG2 4.36Å; I92-T96 PolarHBondContact O-N 3.15Å; I92-T96 PolarHBondContact O-OG1 3.42Å; L93-T96 WeakPolarHBondContact O-CB 3.38Å; L93-T96 PolarHBondContact O-N 3.45Å; L93-T96 VanDerWaalsContact O-N 3.12Å; L94-T96 VanDerWaalsContact C-N 3.32Å; L94-T96 PolarHBondContact O-N 2.88Å; T96-Q99 PolarHBondContact O-N 2.99Å; T96-L100 HydrophobicContact CG2-CD1 4.31Å; T96-L100 WeakPolarHBondContact O-CG 3.23Å; T96-L100 PolarHBondContact O-N 3.4Å; T96-L100 VanDerWaalsContact O-N 3.1Å |
| 97 | I | 91.4 | Very high | 83.1 | Confident | 8 Ų | 8 | 56.5 Ų | 56.5 | 4% | 0.041 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.2 | -44.3 | 178.9 | -69.5 | 161.4 | 0 | 0 | 0 | 111.3 | I48 F51 L93 L94 L100 S101 | I48-I97 HydrophobicContact CD1-CG2 4.41Å; I48-I97 HydrophobicContact CG2-CB 4.31Å; I48-I97 HydrophobicContact CG2-CG1 4.03Å; I48-I97 HydrophobicContact CG2-CG2 4.21Å; F51-I97 HydrophobicContact CD1-CD1 3.52Å; F51-I97 HydrophobicContact CE1-CD1 3.49Å; F51-I97 VanDerWaalsContact CE1-CD1 3.49Å; L93-I97 WeakPolarHBondContact O-CD1 3.03Å; L93-I97 VanDerWaalsContact O-CG1 3.29Å; L93-I97 WeakPolarHBondContact O-CG1 3.34Å; L93-I97 PolarHBondContact O-N 3.22Å; L94-I97 PolarHBondContact O-N 3.07Å; I97-L100 PolarHBondContact O-N 3.01Å; I97-S101 WeakPolarHBondContact O-CB 3.47Å; I97-S101 PolarHBondContact O-N 3.3Å; I97-S101 PolarHBondContact O-OG 3.35Å |
| 98 | T | 91.2 | Very high | 79.9 | Confident | 8 Ų | 8 | 60.3 Ų | 60.3 | 5% | 0.049 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67.2 | -39.8 | -180 | 49.2 | 0 | 0 | 0 | 0 | 111.9 | L94 R95 L100 S101 G102 Y145 | L94-T98 WeakPolarHBondContact O-CB 3.27Å; L94-T98 WeakPolarHBondContact O-CG2 3.43Å; L94-T98 PolarHBondContact O-N 3.01Å; L94-T98 PolarHBondContact O-OG1 2.83Å; R95-T98 WeakPolarHBondContact CA-OG1 3.24Å; R95-T98 PolarHBondContact O-N 3.28Å; R95-T98 PolarHBondContact O-OG1 3.46Å; T98-L100 PolarHBondContact O-N 3.13Å; T98-S101 PolarHBondContact O-N 2.99Å; T98-G102 PolarHBondContact O-N 3.39Å; T98-Y145 HydrophobicContact CG2-CD2 3.97Å; T98-Y145 HydrophobicContact CG2-CE2 3.34Å |
| 99 | Q | 90.8 | Very high | 77 | Confident | 81 Ų | 81 | 65.7 Ų | 65.7 | 38% | 0.379 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.2 | -47.2 | 173.5 | -75.2 | 175.6 | -35.4 | 0 | 0 | 111.9 | R95 T96 S101 G102 I103 | R95-Q99 WeakPolarHBondContact O-CB 3.22Å; R95-Q99 VanDerWaalsContact O-CG 3.27Å; R95-Q99 WeakPolarHBondContact O-CG 3.31Å; R95-Q99 PolarHBondContact O-N 3.47Å; T96-Q99 PolarHBondContact O-N 2.99Å; Q99-S101 PolarHBondContact O-N 3.44Å; Q99-G102 PolarHBondContact O-N 3.43Å; Q99-I103 WeakPolarHBondContact O-CG1 2.86Å; Q99-I103 PolarHBondContact O-N 3.06Å |
| 100 | L | 88.1 | Confident | 74 | Confident | 13 Ų | 13 | 68.6 Ų | 68.6 | 7% | 0.068 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -66.7 | -37.1 | 177.8 | -68.3 | 173.4 | 0 | 0 | 0 | 112.8 | I42 Q46 I48 T96 I97 T98 I103 K104 | I42-L100 HydrophobicContact CG2-CD1 3.27Å; Q46-L100 HydrophobicContact CB-CD2 4.15Å; I48-L100 HydrophobicContact CG2-CB 4.21Å; I48-L100 HydrophobicContact CG2-CD1 3.81Å; T96-L100 HydrophobicContact CG2-CD1 4.31Å; T96-L100 WeakPolarHBondContact O-CG 3.23Å; T96-L100 PolarHBondContact O-N 3.4Å; T96-L100 VanDerWaalsContact O-N 3.1Å; I97-L100 PolarHBondContact O-N 3.01Å; T98-L100 PolarHBondContact O-N 3.13Å; L100-I103 PolarHBondContact O-N 3.35Å; L100-K104 PolarHBondContact O-N 3.05Å |
| 101 | S | 84.1 | Confident | 71.2 | Confident | 31 Ų | 31 | 74.3 Ų | 74.3 | 22% | 0.217 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -70 | -34.5 | 179.5 | -58.6 | 0 | 0 | 0 | 0 | 112.1 | I97 T98 Q99 R105 | I97-S101 WeakPolarHBondContact O-CB 3.47Å; I97-S101 PolarHBondContact O-N 3.3Å; I97-S101 PolarHBondContact O-OG 3.35Å; T98-S101 PolarHBondContact O-N 2.99Å; Q99-S101 PolarHBondContact O-N 3.44Å; S101-R105 PolarHBondContact O-N 3.02Å |
| 102 | G | 75.1 | Confident | 68.5 | Low | 43 Ų | 43 | 76.9 Ų | 76.9 | 44% | 0.443 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.4 | -42 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | T98 Q99 R105 | T98-G102 PolarHBondContact O-N 3.39Å; Q99-G102 PolarHBondContact O-N 3.43Å; G102-R105 PolarHBondContact O-N 3.44Å |
| 103 | I | 66.5 | Low | 65.9 | Low | 121 Ų | 121 | 78.6 Ų | 78.6 | 62% | 0.621 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -63.8 | -42.7 | 178.2 | -65.3 | 163.9 | 0 | 0 | 0 | 111.3 | Q99 L100 R105 | Q99-I103 WeakPolarHBondContact O-CG1 2.86Å; Q99-I103 PolarHBondContact O-N 3.06Å; L100-I103 PolarHBondContact O-N 3.35Å; I103-R105 VanDerWaalsContact C-N 3.26Å; I103-R105 PolarHBondContact O-N 2.96Å |
| 104 | K | 62.4 | Low | 63.3 | Low | 132 Ų | 132 | 83 Ų | 83 | 57% | 0.574 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -72.9 | -11.7 | -178.2 | -72.1 | -172.8 | 179.7 | -172 | 0 | 115 | L100 | L100-K104 PolarHBondContact O-N 3.05Å |
| 105 | R | 58.1 | Low | 60.9 | Low | 174 Ų | 174 | 89 Ų | 89 | 66% | 0.657 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | 0.6 | -174 | -107.2 | 176.1 | 170.2 | 156.7 | -5.1 | 115 | S101 G102 I103 | S101-R105 PolarHBondContact O-N 3.02Å; G102-R105 PolarHBondContact O-N 3.44Å; I103-R105 VanDerWaalsContact C-N 3.26Å; I103-R105 PolarHBondContact O-N 2.96Å |
| 106 | S | 36.1 | Very low | 58.2 | Low | 95 Ų | 95 | 94.5 Ų | 94.5 | 66% | 0.664 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.3 | 122.4 | 171.4 | -166.8 | 0 | 0 | 0 | 0 | 108 | ||
| 107 | P | 39.4 | Very low | 55.7 | Low | 119 Ų | 119 | 102.4 Ų | 102.4 | 77% | 0.773 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | cis | -139.5 | 95.1 | 20.6 | 35.7 | -12.1 | 0 | 0 | 0 | 113.7 | ||
| 108 | S | 32.3 | Very low | 53.5 | Low | 109 Ų | 109 | 103.6 Ų | 103.6 | 76% | 0.762 | 56% | 0.564 | S | S | * | * | S | Bend | trans | 173.4 | 93.8 | 159.4 | 50.6 | 0 | 0 | 0 | 0 | 109.7 | ||
| 109 | M | 36.6 | Very low | 51.6 | Low | 159 Ų | 159 | 111.4 Ų | 111.4 | 78% | 0.783 | 60% | 0.6 | S | S | * | * | trans | 174.4 | 108.7 | 144.5 | -97 | -61.2 | -119.9 | 0 | 0 | 106.9 | C111 | M109-C111 PolarHBondContact O-N 2.85Š| ||
| 110 | P | 34.2 | Very low | 49.8 | Very low | 90 Ų | 90 | 113.6 Ų | 113.6 | 58% | 0.584 | 62% | 0.619 | S | S | * | * | trans | -60.7 | 121.1 | 170.6 | -12.4 | 26.5 | 0 | 0 | 0 | 108 | T112 | P110-T112 WeakPolarHBondContact CB-OG1 3.49Å; P110-T112 PolarHBondContact O-N 2.87Å | ||
| 111 | C | 37.8 | Very low | 48.2 | Very low | 121 Ų | 121 | 119.8 Ų | 119.8 | 82% | 0.818 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | 64.5 | 165.4 | -168.5 | 0 | 0 | 0 | 0 | 108.6 | M109 | M109-C111 PolarHBondContact O-N 2.85Š|
| 112 | T | 40 | Very low | 46.8 | Very low | 98 Ų | 98 | 123.9 Ų | 123.9 | 60% | 0.601 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.9 | -6.3 | -178.7 | -13.2 | 0 | 0 | 0 | 0 | 112.5 | P110 | P110-T112 WeakPolarHBondContact CB-OG1 3.49Å; P110-T112 PolarHBondContact O-N 2.87Å |
| 113 | I | 42.9 | Very low | 45.8 | Very low | 132 Ų | 132 | 128.8 Ų | 128.8 | 68% | 0.677 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -20.1 | -175.1 | -68.7 | 169.4 | 0 | 0 | 0 | 113.4 | ||
| 114 | S | 39.9 | Very low | 46.2 | Very low | 93 Ų | 93 | 127.3 Ų | 127.3 | 65% | 0.65 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | -12.7 | -175.9 | 68.1 | 0 | 0 | 0 | 0 | 116 | ||
| 115 | I | 44.8 | Very low | 46.8 | Very low | 127 Ų | 127 | 127 Ų | 127 | 65% | 0.651 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -36.8 | 179.6 | -61.1 | -178.8 | 0 | 0 | 0 | 111.1 | K117 A118 | I115-K117 PolarHBondContact O-N 3.42Å; I115-K117 VanDerWaalsContact O-N 3.13Å; I115-A118 PolarHBondContact O-N 2.94Å |
| 116 | R | 37.4 | Very low | 47.6 | Very low | 224 Ų | 224 | 123.7 Ų | 123.7 | 85% | 0.845 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | -13.3 | -176.7 | -94.7 | -171.5 | -178.9 | -159.1 | 0.5 | 115.9 | ||
| 117 | K | 41.2 | Very low | 49.3 | Very low | 172 Ų | 172 | 124.3 Ų | 124.3 | 75% | 0.748 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.7 | -2.8 | -179.4 | -144.7 | 178.4 | -179 | -174.4 | 0 | 113.7 | I115 | I115-K117 PolarHBondContact O-N 3.42Å; I115-K117 VanDerWaalsContact O-N 3.13Å |
| 118 | A | 44.2 | Very low | 50.9 | Low | 33 Ų | 33 | 124 Ų | 124 | 27% | 0.273 | 65% | 0.652 | S | S | . | * | S | Bend | trans | -92.4 | -4.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | I115 W123 | I115-A118 PolarHBondContact O-N 2.94Å; A118-W123 HydrophobicContact CB-CZ2 3.68Å |
| 119 | E | 52.2 | Low | 52.6 | Low | 172 Ų | 172 | 124.3 Ų | 124.3 | 80% | 0.804 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -84.5 | -4.8 | -176.8 | -75.9 | 178.8 | 163.1 | 0 | 0 | 113.8 | ||
| 120 | T | 51.5 | Low | 54.4 | Low | 128 Ų | 128 | 121.8 Ų | 121.8 | 79% | 0.785 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -127.5 | -3.4 | -172.7 | 11.8 | 0 | 0 | 0 | 0 | 116.4 | ||
| 121 | E | 55.2 | Low | 56.1 | Low | 143 Ų | 143 | 121.2 Ų | 121.2 | 67% | 0.668 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -124.3 | 134 | 177 | -75.1 | -177.8 | 172.1 | 0 | 0 | 111.3 | W123 | E121-W123 PolarHBondContact O-N 3.29Å; E121-W123 VanDerWaalsContact O-N 3.09Å |
| 122 | S | 54.6 | Low | 58 | Low | 117 Ų | 117 | 121 Ų | 121 | 82% | 0.818 | 60% | 0.603 | S | S | * | * | trans | -58.9 | 114.2 | 171.9 | 59.7 | 0 | 0 | 0 | 0 | 109.2 | N124 | S122-N124 PolarHBondContact O-N 3.47Š| ||
| 123 | W | 55.2 | Low | 59.7 | Low | 145 Ų | 145 | 122.8 Ų | 122.8 | 55% | 0.549 | 60% | 0.603 | S | S | . | * | trans | -56.2 | 110.8 | 178.7 | -82.2 | 78.9 | 0 | 0 | 0 | 110.9 | A118 E121 I125 F128 I131 | A118-W123 HydrophobicContact CB-CZ2 3.68Å; E121-W123 PolarHBondContact O-N 3.29Å; E121-W123 VanDerWaalsContact O-N 3.09Å; W123-I125 PolarHBondContact O-N 3.36Å; W123-F128 HydrophobicContact CE3-CB 4.24Å; W123-F128 HydrophobicContact CE3-CD2 4.39Å; W123-F128 HydrophobicContact CZ3-CD2 4.29Å; W123-I131 HydrophobicContact CZ3-CD1 4.31Å | ||
| 124 | N | 73.6 | Confident | 61.1 | Low | 90 Ų | 90 | 125.4 Ų | 125.4 | 48% | 0.481 | 60% | 0.604 | S | S | . | * | trans | -72.9 | 125 | 171.9 | -172.2 | -30.9 | 0 | 0 | 0 | 109 | S122 N126 Q127 F128 | S122-N124 PolarHBondContact O-N 3.47Å; N124-N126 PolarHBondContact O-N 3.1Å; N124-N126 VanDerWaalsContact O-N 3.09Å; N124-N126 PolarHBondContact OD1-N 3.39Å; N124-N126 VanDerWaalsContact OD1-N 3.09Å; N124-Q127 HydrophobicContact CB-CB 4.34Å; N124-Q127 WeakPolarHBondContact O-CB 3.23Å; N124-Q127 PolarHBondContact O-N 2.95Å; N124-F128 PolarHBondContact O-N 2.91Å; N124-F128 VanDerWaalsContact O-N 3.12Å | ||
| 125 | I | 75.5 | Confident | 63 | Low | 126 Ų | 126 | 125.6 Ų | 125.6 | 65% | 0.646 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -52.3 | -35 | -179.1 | -67.3 | 168.4 | 0 | 0 | 0 | 111.8 | W123 F128 K129 | W123-I125 PolarHBondContact O-N 3.36Å; I125-F128 PolarHBondContact O-N 3.4Å; I125-K129 WeakPolarHBondContact O-CB 3.48Å; I125-K129 PolarHBondContact O-N 3.39Å |
| 126 | N | 75.5 | Confident | 65 | Low | 104 Ų | 104 | 121 Ų | 121 | 56% | 0.556 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -66.1 | -41.8 | 179 | -65.5 | -25 | 0 | 0 | 0 | 111.5 | N124 K129 D130 | N124-N126 PolarHBondContact O-N 3.1Å; N124-N126 VanDerWaalsContact O-N 3.09Å; N124-N126 PolarHBondContact OD1-N 3.39Å; N124-N126 VanDerWaalsContact OD1-N 3.09Å; N126-K129 PolarHBondContact O-N 3.12Å; N126-D130 PolarHBondContact O-N 2.95Å |
| 127 | Q | 71.5 | Confident | 67.5 | Low | 108 Ų | 108 | 110.3 Ų | 110.3 | 51% | 0.505 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.3 | -39.3 | 178.9 | -149.9 | 178.6 | 26.6 | 0 | 0 | 111.4 | N124 D130 I131 | N124-Q127 HydrophobicContact CB-CB 4.34Å; N124-Q127 WeakPolarHBondContact O-CB 3.23Å; N124-Q127 PolarHBondContact O-N 2.95Å; Q127-D130 PolarHBondContact O-N 2.84Å; Q127-I131 WeakPolarHBondContact O-CD1 3.49Å; Q127-I131 VanDerWaalsContact O-CG1 3.27Å; Q127-I131 WeakPolarHBondContact O-CG1 3.46Å; Q127-I131 PolarHBondContact O-N 2.91Å; Q127-I131 VanDerWaalsContact O-N 3.12Å |
| 128 | F | 71.9 | Confident | 69.7 | Low | 112 Ų | 112 | 107.8 Ų | 107.8 | 49% | 0.491 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.8 | -47.3 | 172.5 | 176.7 | -96.4 | 0 | 0 | 0 | 111.7 | W123 N124 I125 D130 I131 W132 | W123-F128 HydrophobicContact CE3-CB 4.24Å; W123-F128 HydrophobicContact CE3-CD2 4.39Å; W123-F128 HydrophobicContact CZ3-CD2 4.29Å; N124-F128 PolarHBondContact O-N 2.91Å; N124-F128 VanDerWaalsContact O-N 3.12Å; I125-F128 PolarHBondContact O-N 3.4Å; F128-D130 VanDerWaalsContact C-N 3.34Å; F128-D130 PolarHBondContact O-N 2.81Å; F128-I131 PolarHBondContact O-N 2.81Å; F128-W132 HydrophobicContact CE1-CB 4.42Å; F128-W132 WeakPolarHBondContact O-CB 3.36Å; F128-W132 PolarHBondContact O-N 3.27Å |
| 129 | K | 69 | Low | 71.8 | Confident | 116 Ų | 116 | 109.7 Ų | 109.7 | 50% | 0.504 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -55.9 | -48.2 | 176.6 | -100.8 | -174.3 | 168.5 | -178 | 0 | 111.2 | I125 N126 I131 W132 F133 | I125-K129 WeakPolarHBondContact O-CB 3.48Å; I125-K129 PolarHBondContact O-N 3.39Å; N126-K129 PolarHBondContact O-N 3.12Å; K129-I131 PolarHBondContact O-N 2.88Å; K129-W132 PolarHBondContact O-N 3.16Å; K129-F133 HydrophobicContact CB-CD2 4.36Å; K129-F133 HydrophobicContact CD-CE2 4.45Å; K129-F133 HydrophobicContact CG-CD2 4.47Å; K129-F133 HydrophobicContact CG-CE2 4.22Å; K129-F133 WeakPolarHBondContact O-CB 3.15Å; K129-F133 VanDerWaalsContact O-CD2 3.24Å; K129-F133 WeakPolarHBondContact O-CD2 3.4Å; K129-F133 PolarHBondContact O-N 3.17Å |
| 130 | D | 73.7 | Confident | 73.4 | Confident | 106 Ų | 106 | 104.4 Ų | 104.4 | 57% | 0.567 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.3 | -43.2 | -178.3 | -71.9 | -19.9 | 0 | 0 | 0 | 112.4 | N126 Q127 F128 R134 | N126-D130 PolarHBondContact O-N 2.95Å; Q127-D130 PolarHBondContact O-N 2.84Å; F128-D130 VanDerWaalsContact C-N 3.34Å; F128-D130 PolarHBondContact O-N 2.81Å; D130-R134 VanDerWaalsContact O-CB 3.3Å; D130-R134 WeakPolarHBondContact O-CB 3.2Å; D130-R134 WeakPolarHBondContact O-CG 3.46Å; D130-R134 PolarHBondContact O-N 2.92Å |
| 131 | I | 69.7 | Low | 75.2 | Confident | 78 Ų | 78 | 104 Ų | 104 | 40% | 0.4 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.8 | -44.5 | 176.8 | -67.3 | 166.8 | 0 | 0 | 0 | 110.3 | W123 Q127 F128 K129 R134 N135 | W123-I131 HydrophobicContact CZ3-CD1 4.31Å; Q127-I131 WeakPolarHBondContact O-CD1 3.49Å; Q127-I131 VanDerWaalsContact O-CG1 3.27Å; Q127-I131 WeakPolarHBondContact O-CG1 3.46Å; Q127-I131 PolarHBondContact O-N 2.91Å; Q127-I131 VanDerWaalsContact O-N 3.12Å; F128-I131 PolarHBondContact O-N 2.81Å; K129-I131 PolarHBondContact O-N 2.88Å; I131-R134 PolarHBondContact O-N 3.01Å; I131-N135 WeakPolarHBondContact O-CB 3.48Å; I131-N135 PolarHBondContact O-N 2.85Å; I131-N135 VanDerWaalsContact O-N 3.1Å; I131-N135 PolarHBondContact O-ND2 2.99Å; I131-N135 VanDerWaalsContact O-ND2 3.12Å |
| 132 | W | 78.6 | Confident | 77 | Confident | 118 Ų | 118 | 98.7 Ų | 98.7 | 45% | 0.447 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.4 | -52.7 | 179.7 | -173.9 | 90.2 | 0 | 0 | 0 | 111 | F128 K129 R134 N135 F136 | F128-W132 HydrophobicContact CE1-CB 4.42Å; F128-W132 WeakPolarHBondContact O-CB 3.36Å; F128-W132 PolarHBondContact O-N 3.27Å; K129-W132 PolarHBondContact O-N 3.16Å; W132-R134 VanDerWaalsContact C-N 3.31Å; W132-R134 PolarHBondContact O-N 2.95Å; W132-N135 CarbonylContact O-C 3.56Å; W132-N135 PolarHBondContact O-N 3.33Å; W132-N135 VanDerWaalsContact O-N 3.11Å; W132-F136 HydrophobicContact CD2-CB 4.49Å; W132-F136 AromaticContact CE2-CD2 3.93Å; W132-F136 HydrophobicContact CE3-CB 4.32Å; W132-F136 HydrophobicContact CH2-CB 4.41Å; W132-F136 AromaticContact CH2-CD2 3.42Å; W132-F136 HydrophobicContact CH2-CD2 3.42Å; W132-F136 VanDerWaalsContact CH2-CD2 3.42Å; W132-F136 AromaticContact CH2-CE2 3.73Å; W132-F136 HydrophobicContact CH2-CE2 3.73Å; W132-F136 AromaticContact CH2-CG 3.86Å; W132-F136 HydrophobicContact CH2-CG 3.86Å; W132-F136 HydrophobicContact CH2-CZ 4.4Å; W132-F136 AromaticContact CZ2-CD2 3.31Å; W132-F136 HydrophobicContact CZ2-CD2 3.31Å; W132-F136 AromaticContact CZ2-CE2 3.69Å; W132-F136 HydrophobicContact CZ2-CE2 3.69Å; W132-F136 HydrophobicContact CZ2-CG 4.12Å; W132-F136 HydrophobicContact CZ3-CB 4.28Å; W132-F136 HydrophobicContact CZ3-CD2 4.13Å; W132-F136 HydrophobicContact CZ3-CG 4.13Å; W132-F136 VanDerWaalsContact O-CB 3.28Å; W132-F136 WeakPolarHBondContact O-CB 3.32Å; W132-F136 PolarHBondContact O-N 3.37Å |
| 133 | F | 74.6 | Confident | 78.9 | Confident | 134 Ų | 134 | 96.9 Ų | 96.9 | 59% | 0.588 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -61.3 | -37.1 | 178.7 | -84.4 | -71.2 | 0 | 0 | 0 | 112.3 | K129 N135 | K129-F133 HydrophobicContact CB-CD2 4.36Å; K129-F133 HydrophobicContact CD-CE2 4.45Å; K129-F133 HydrophobicContact CG-CD2 4.47Å; K129-F133 HydrophobicContact CG-CE2 4.22Å; K129-F133 WeakPolarHBondContact O-CB 3.15Å; K129-F133 VanDerWaalsContact O-CD2 3.24Å; K129-F133 WeakPolarHBondContact O-CD2 3.4Å; K129-F133 PolarHBondContact O-N 3.17Å; F133-N135 VanDerWaalsContact C-N 3.32Å; F133-N135 PolarHBondContact O-N 2.99Å |
| 134 | R | 73.9 | Confident | 80.8 | Confident | 188 Ų | 188 | 93.3 Ų | 93.3 | 71% | 0.709 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -66.1 | -33.1 | 176 | -83.9 | -174.3 | 109.4 | -134.8 | 9 | 113.2 | D130 I131 W132 K138 | D130-R134 VanDerWaalsContact O-CB 3.3Å; D130-R134 WeakPolarHBondContact O-CB 3.2Å; D130-R134 WeakPolarHBondContact O-CG 3.46Å; D130-R134 PolarHBondContact O-N 2.92Å; I131-R134 PolarHBondContact O-N 3.01Å; W132-R134 VanDerWaalsContact C-N 3.31Å; W132-R134 PolarHBondContact O-N 2.95Å; R134-K138 WeakPolarHBondContact O-CD 3.44Å; R134-K138 WeakPolarHBondContact O-CE 3.29Å; R134-K138 PolarHBondContact O-NZ 3.07Å |
| 135 | N | 79.2 | Confident | 81.8 | Confident | 96 Ų | 96 | 89.2 Ų | 89.2 | 51% | 0.513 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -100.2 | -13.9 | -175.1 | -67.7 | -35.8 | 0 | 0 | 0 | 113.6 | I131 W132 F133 W137 K138 | I131-N135 WeakPolarHBondContact O-CB 3.48Å; I131-N135 PolarHBondContact O-N 2.85Å; I131-N135 VanDerWaalsContact O-N 3.1Å; I131-N135 PolarHBondContact O-ND2 2.99Å; I131-N135 VanDerWaalsContact O-ND2 3.12Å; W132-N135 CarbonylContact O-C 3.56Å; W132-N135 PolarHBondContact O-N 3.33Å; W132-N135 VanDerWaalsContact O-N 3.11Å; F133-N135 VanDerWaalsContact C-N 3.32Å; F133-N135 PolarHBondContact O-N 2.99Å; N135-W137 PolarHBondContact O-N 2.99Å; N135-K138 PolarHBondContact O-N 3.2Å |
| 136 | F | 86.7 | Confident | 82.9 | Confident | 30 Ų | 30 | 86.2 Ų | 86.2 | 13% | 0.132 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 136.2 | 176.3 | -176.6 | -101.9 | 0 | 0 | 0 | 110.1 | F57 W132 K138 W139 F148 | F57-F136 HydrophobicContact CD1-CE1 4.21Å; F57-F136 HydrophobicContact CD2-CE1 4.09Å; F57-F136 HydrophobicContact CD2-CZ 4.41Å; F57-F136 AromaticContact CE1-CE1 3.79Å; F57-F136 HydrophobicContact CE1-CE1 3.79Å; F57-F136 AromaticContact CE2-CE1 3.64Å; F57-F136 HydrophobicContact CE2-CE1 3.64Å; F57-F136 AromaticContact CE2-CZ 3.7Å; F57-F136 HydrophobicContact CE2-CZ 3.7Å; F57-F136 HydrophobicContact CG-CE1 4.34Å; F57-F136 AromaticContact CZ-CE1 3.49Å; F57-F136 HydrophobicContact CZ-CE1 3.49Å; F57-F136 VanDerWaalsContact CZ-CE1 3.49Å; F57-F136 AromaticContact CZ-CZ 3.79Å; F57-F136 HydrophobicContact CZ-CZ 3.79Å; W132-F136 HydrophobicContact CD2-CB 4.49Å; W132-F136 AromaticContact CE2-CD2 3.93Å; W132-F136 HydrophobicContact CE3-CB 4.32Å; W132-F136 HydrophobicContact CH2-CB 4.41Å; W132-F136 AromaticContact CH2-CD2 3.42Å; W132-F136 HydrophobicContact CH2-CD2 3.42Å; W132-F136 VanDerWaalsContact CH2-CD2 3.42Å; W132-F136 AromaticContact CH2-CE2 3.73Å; W132-F136 HydrophobicContact CH2-CE2 3.73Å; W132-F136 AromaticContact CH2-CG 3.86Å; W132-F136 HydrophobicContact CH2-CG 3.86Å; W132-F136 HydrophobicContact CH2-CZ 4.4Å; W132-F136 AromaticContact CZ2-CD2 3.31Å; W132-F136 HydrophobicContact CZ2-CD2 3.31Å; W132-F136 AromaticContact CZ2-CE2 3.69Å; W132-F136 HydrophobicContact CZ2-CE2 3.69Å; W132-F136 HydrophobicContact CZ2-CG 4.12Å; W132-F136 HydrophobicContact CZ3-CB 4.28Å; W132-F136 HydrophobicContact CZ3-CD2 4.13Å; W132-F136 HydrophobicContact CZ3-CG 4.13Å; W132-F136 VanDerWaalsContact O-CB 3.28Å; W132-F136 WeakPolarHBondContact O-CB 3.32Å; W132-F136 PolarHBondContact O-N 3.37Å; F136-K138 PolarHBondContact O-N 3.47Å; F136-W139 HydrophobicContact CD2-CZ2 4.41Å; F136-W139 HydrophobicContact CE2-CH2 4.43Å; F136-W139 HydrophobicContact CE2-CZ2 4.24Å; F136-F148 HydrophobicContact CE2-CE2 4.27Å; F136-F148 HydrophobicContact CZ-CE2 4.31Å; F136-F148 HydrophobicContact CZ-CZ 4.12Å |
| 137 | W | 90.3 | Very high | 83.9 | Confident | 1 Ų | 1 | 86.3 Ų | 86.3 | 0% | 0.004 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 27.8 | -177.2 | -145.6 | -98.7 | 0 | 0 | 0 | 116.1 | S53 F57 L60 L94 N135 W139 Y145 F148 L149 | S53-W137 PolarHBondContact O-NE1 3.47Å; S53-W137 PolarHBondContact OG-O 2.95Å; F57-W137 HydrophobicContact CB-CB 4.49Å; F57-W137 HydrophobicContact CB-CD2 3.64Å; F57-W137 HydrophobicContact CB-CE3 4.36Å; F57-W137 HydrophobicContact CB-CG 3.68Å; F57-W137 HydrophobicContact CB-CZ2 4.15Å; F57-W137 AromaticContact CD2-CD2 3.5Å; F57-W137 HydrophobicContact CD2-CD2 3.5Å; F57-W137 AromaticContact CD2-CE2 3.8Å; F57-W137 AromaticContact CD2-CE3 3.3Å; F57-W137 HydrophobicContact CD2-CE3 3.3Å; F57-W137 HydrophobicContact CD2-CG 4.23Å; F57-W137 AromaticContact CD2-CH2 3.74Å; F57-W137 HydrophobicContact CD2-CH2 3.74Å; F57-W137 AromaticContact CD2-CZ2 3.92Å; F57-W137 HydrophobicContact CD2-CZ2 3.92Å; F57-W137 AromaticContact CD2-CZ3 3.44Å; F57-W137 HydrophobicContact CD2-CZ3 3.44Å; F57-W137 VanDerWaalsContact CD2-CZ3 3.44Å; F57-W137 HydrophobicContact CE2-CD2 4.47Å; F57-W137 AromaticContact CE2-CE3 3.88Å; F57-W137 HydrophobicContact CE2-CE3 3.88Å; F57-W137 HydrophobicContact CE2-CH2 4.44Å; F57-W137 AromaticContact CE2-CZ3 3.87Å; F57-W137 HydrophobicContact CE2-CZ3 3.87Å; F57-W137 AromaticContact CG-CD2 3.85Å; F57-W137 HydrophobicContact CG-CD2 3.85Å; F57-W137 HydrophobicContact CG-CE3 4.09Å; F57-W137 HydrophobicContact CG-CG 4.13Å; L60-W137 HydrophobicContact CD1-CZ2 3.94Å; L94-W137 HydrophobicContact CD2-CZ2 4.08Å; N135-W137 PolarHBondContact O-N 2.99Å; W137-W139 HydrophobicContact CD2-CZ3 4.26Å; W137-W139 HydrophobicContact CE3-CE3 4.41Å; W137-W139 AromaticContact CE3-CH2 3.55Å; W137-W139 HydrophobicContact CE3-CH2 3.55Å; W137-W139 AromaticContact CE3-CZ3 3.48Å; W137-W139 HydrophobicContact CE3-CZ3 3.48Å; W137-W139 VanDerWaalsContact CE3-CZ3 3.48Å; W137-W139 HydrophobicContact CH2-CZ3 4.26Å; W137-W139 AromaticContact CZ3-CH2 3.65Å; W137-W139 HydrophobicContact CZ3-CH2 3.65Å; W137-W139 AromaticContact CZ3-CZ3 3.47Å; W137-W139 HydrophobicContact CZ3-CZ3 3.47Å; W137-W139 VanDerWaalsContact CZ3-CZ3 3.47Å; W137-Y145 AromaticContact CD1-CE1 3.81Å; W137-Y145 AromaticContact CD2-CD1 3.84Å; W137-Y145 HydrophobicContact CD2-CD1 3.84Å; W137-Y145 AromaticContact CD2-CE1 3.87Å; W137-Y145 HydrophobicContact CD2-CE1 3.87Å; W137-Y145 AromaticContact CE2-CD1 3.54Å; W137-Y145 AromaticContact CE2-CE1 3.82Å; W137-Y145 HydrophobicContact CE3-CD1 4.23Å; W137-Y145 HydrophobicContact CG-CD1 4.37Å; W137-Y145 AromaticContact CG-CE1 3.92Å; W137-Y145 HydrophobicContact CG-CE1 3.92Å; W137-Y145 HydrophobicContact CH2-CD1 4.11Å; W137-Y145 AromaticContact CZ2-CD1 3.72Å; W137-Y145 HydrophobicContact CZ2-CD1 3.72Å; W137-Y145 HydrophobicContact CZ2-CE1 4.45Å; W137-Y145 HydrophobicContact CZ3-CD1 4.34Å; W137-Y145 AromaticContact NE1-CD1 3.87Å; W137-Y145 AromaticContact NE1-CE1 3.75Å; W137-Y145 PolarHBondContact O-OH 3.38Å; W137-F148 AromaticContact CH2-CD1 3.82Å; W137-F148 HydrophobicContact CH2-CD1 3.82Å; W137-F148 HydrophobicContact CH2-CE1 4.19Å; W137-F148 AromaticContact CZ3-CD1 3.35Å; W137-F148 HydrophobicContact CZ3-CD1 3.35Å; W137-F148 AromaticContact CZ3-CE1 3.58Å; W137-F148 HydrophobicContact CZ3-CE1 3.58Å; W137-F148 AromaticContact CZ3-CG 3.97Å; W137-F148 HydrophobicContact CZ3-CG 3.97Å; W137-F148 HydrophobicContact CZ3-CZ 4.38Å; W137-L149 HydrophobicContact CH2-CD2 3.87Å; W137-L149 HydrophobicContact CH2-CG 4.12Å |
| 138 | K | 87.6 | Confident | 85.2 | Confident | 119 Ų | 119 | 83.9 Ų | 83.9 | 52% | 0.517 | 40% | 0.395 | S | S | . | . | trans | -124.4 | 33.8 | 172.6 | -61.2 | 179.8 | -173.2 | 162.3 | 0 | 112.2 | R134 N135 F136 | R134-K138 WeakPolarHBondContact O-CD 3.44Å; R134-K138 WeakPolarHBondContact O-CE 3.29Å; R134-K138 PolarHBondContact O-NZ 3.07Å; N135-K138 PolarHBondContact O-N 3.2Å; F136-K138 PolarHBondContact O-N 3.47Å | ||
| 139 | W | 88.3 | Confident | 86.4 | Confident | 72 Ų | 72 | 79.1 Ų | 79.1 | 27% | 0.273 | 37% | 0.374 | S | S | . | . | trans | -64.6 | 151.3 | 176.5 | -52 | -49.3 | 0 | 0 | 0 | 112.1 | F136 W137 N144 Y145 F148 | F136-W139 HydrophobicContact CD2-CZ2 4.41Å; F136-W139 HydrophobicContact CE2-CH2 4.43Å; F136-W139 HydrophobicContact CE2-CZ2 4.24Å; W137-W139 HydrophobicContact CD2-CZ3 4.26Å; W137-W139 HydrophobicContact CE3-CE3 4.41Å; W137-W139 AromaticContact CE3-CH2 3.55Å; W137-W139 HydrophobicContact CE3-CH2 3.55Å; W137-W139 AromaticContact CE3-CZ3 3.48Å; W137-W139 HydrophobicContact CE3-CZ3 3.48Å; W137-W139 VanDerWaalsContact CE3-CZ3 3.48Å; W137-W139 HydrophobicContact CH2-CZ3 4.26Å; W137-W139 AromaticContact CZ3-CH2 3.65Å; W137-W139 HydrophobicContact CZ3-CH2 3.65Å; W137-W139 AromaticContact CZ3-CZ3 3.47Å; W137-W139 HydrophobicContact CZ3-CZ3 3.47Å; W137-W139 VanDerWaalsContact CZ3-CZ3 3.47Å; W139-N144 HydrophobicContact CB-CB 4.1Å; W139-N144 HydrophobicContact CD2-CB 4.33Å; W139-N144 HydrophobicContact CE3-CB 4.28Å; W139-N144 HydrophobicContact CG-CB 4.27Å; W139-Y145 HydrophobicContact CB-CD2 4.31Å; W139-Y145 HydrophobicContact CB-CE2 3.66Å; W139-Y145 HydrophobicContact CD2-CD1 4.43Å; W139-Y145 HydrophobicContact CD2-CE1 4.29Å; W139-Y145 AromaticContact CE3-CD1 3.3Å; W139-Y145 HydrophobicContact CE3-CD1 3.3Å; W139-Y145 AromaticContact CE3-CD2 3.96Å; W139-Y145 HydrophobicContact CE3-CD2 3.96Å; W139-Y145 AromaticContact CE3-CE1 3.54Å; W139-Y145 HydrophobicContact CE3-CE1 3.54Å; W139-Y145 HydrophobicContact CE3-CE2 4.15Å; W139-Y145 AromaticContact CE3-CG 3.57Å; W139-Y145 HydrophobicContact CE3-CG 3.57Å; W139-Y145 AromaticContact CE3-CZ 3.98Å; W139-Y145 AromaticContact CZ3-CD1 3.6Å; W139-Y145 HydrophobicContact CZ3-CD1 3.6Å; W139-Y145 HydrophobicContact CZ3-CE1 4.12Å; W139-Y145 HydrophobicContact CZ3-CG 4.04Å; W139-Y145 PolarHBondContact N-OH 2.81Å; W139-Y145 VanDerWaalsContact O-CE2 3.29Å; W139-Y145 WeakPolarHBondContact O-CE2 3.37Å; W139-Y145 PolarHBondContact O-OH 3.29Å; W139-F148 HydrophobicContact CH2-CB 3.75Å; W139-F148 HydrophobicContact CH2-CD1 4.4Å; W139-F148 AromaticContact CH2-CD2 3.76Å; W139-F148 HydrophobicContact CH2-CD2 3.76Å; W139-F148 HydrophobicContact CH2-CE2 4.47Å; W139-F148 AromaticContact CH2-CG 3.7Å; W139-F148 HydrophobicContact CH2-CG 3.7Å; W139-F148 HydrophobicContact CZ3-CB 3.83Å; W139-F148 HydrophobicContact CZ3-CG 4.16Å | ||
| 140 | T | 84.8 | Confident | 87.8 | Confident | 61 Ų | 61 | 77.6 Ų | 77.6 | 37% | 0.374 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -75.3 | -48.9 | -177.1 | 48 | 0 | 0 | 0 | 0 | 112 | ||
| 141 | H | 88.8 | Confident | 89 | Confident | 120 Ų | 120 | 76.8 Ų | 76.8 | 56% | 0.556 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -95 | 132.9 | -174.4 | -58 | -68.9 | 0 | 0 | 0 | 111.2 | S143 N144 Y145 | H141-S143 PolarHBondContact O-N 3.36Å; H141-N144 PolarHBondContact O-N 3.43Å; H141-N144 VanDerWaalsContact O-N 3.13Å; H141-Y145 WeakPolarHBondContact O-CD2 3.18Å |
| 142 | F | 94 | Very high | 90.4 | Very high | 31 Ų | 31 | 75.6 Ų | 75.6 | 14% | 0.136 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -53.8 | -36.2 | 174.2 | -176.8 | -117.5 | 0 | 0 | 0 | 112.7 | L91 L94 R95 N144 Y145 L146 | L91-F142 HydrophobicContact CB-CZ 4.4Å; L91-F142 HydrophobicContact CD2-CE2 4.39Å; L91-F142 HydrophobicContact CD2-CZ 4.21Å; L91-F142 WeakPolarHBondContact O-CE2 3.35Å; L94-F142 HydrophobicContact CB-CE2 4.29Å; L94-F142 HydrophobicContact CD2-CE2 4.4Å; L94-F142 HydrophobicContact CG-CD2 4.42Å; L94-F142 HydrophobicContact CG-CE2 4.35Å; R95-F142 HydrophobicContact CB-CD2 3.99Å; R95-F142 HydrophobicContact CB-CE1 4.45Å; R95-F142 HydrophobicContact CB-CE2 3.83Å; R95-F142 HydrophobicContact CB-CG 4.39Å; R95-F142 HydrophobicContact CB-CZ 4.07Å; F142-N144 PolarHBondContact O-N 2.93Å; F142-Y145 WeakPolarHBondContact O-CB 3.25Å; F142-Y145 PolarHBondContact O-N 2.97Å; F142-L146 HydrophobicContact CD1-CD1 3.93Å; F142-L146 HydrophobicContact CD1-CG 4.15Å; F142-L146 HydrophobicContact CE1-CD1 3.58Å; F142-L146 HydrophobicContact CE1-CD2 3.97Å; F142-L146 HydrophobicContact CE1-CG 3.79Å; F142-L146 HydrophobicContact CZ-CD1 4.3Å; F142-L146 HydrophobicContact CZ-CD2 3.83Å; F142-L146 HydrophobicContact CZ-CG 4.07Å; F142-L146 PolarHBondContact O-N 2.94Å |
| 143 | S | 94.4 | Very high | 91.3 | Very high | 79 Ų | 79 | 72.7 Ų | 72.7 | 55% | 0.552 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -59 | -32.5 | 179.9 | -47.8 | 0 | 0 | 0 | 0 | 113.3 | H141 Y145 L146 L147 | H141-S143 PolarHBondContact O-N 3.36Å; S143-Y145 VanDerWaalsContact C-N 3.29Å; S143-Y145 PolarHBondContact O-N 3.04Å; S143-L146 PolarHBondContact O-N 3.5Å; S143-L147 WeakPolarHBondContact O-CB 3.42Å; S143-L147 PolarHBondContact O-N 3.17Å |
| 144 | N | 94.7 | Very high | 92.5 | Very high | 70 Ų | 70 | 72.1 Ų | 72.1 | 37% | 0.374 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.9 | -34.3 | 177.6 | -64.6 | -15.5 | 0 | 0 | 0 | 111.5 | W139 H141 F142 F148 | W139-N144 HydrophobicContact CB-CB 4.1Å; W139-N144 HydrophobicContact CD2-CB 4.33Å; W139-N144 HydrophobicContact CE3-CB 4.28Å; W139-N144 HydrophobicContact CG-CB 4.27Å; H141-N144 PolarHBondContact O-N 3.43Å; H141-N144 VanDerWaalsContact O-N 3.13Å; F142-N144 PolarHBondContact O-N 2.93Å; N144-F148 PolarHBondContact O-N 3.24Å; N144-F148 VanDerWaalsContact O-N 3.07Å |
| 145 | Y | 96 | Very high | 93.6 | Very high | 4 Ų | 4 | 68.1 Ų | 68.1 | 2% | 0.016 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -68.4 | -45 | 174 | -60.7 | -93 | 0 | 0 | 0 | 111.2 | L94 T98 W137 W139 H141 F142 S143 L147 F148 L149 | L94-Y145 HydrophobicContact CD1-CD1 4Å; L94-Y145 HydrophobicContact CD1-CE1 3.82Å; L94-Y145 HydrophobicContact CD1-CG 4.46Å; L94-Y145 HydrophobicContact CD2-CD1 3.63Å; L94-Y145 HydrophobicContact CD2-CD2 4.47Å; L94-Y145 HydrophobicContact CD2-CE1 4.32Å; L94-Y145 HydrophobicContact CD2-CG 3.68Å; L94-Y145 HydrophobicContact CG-CD1 4.16Å; L94-Y145 HydrophobicContact CG-CE1 4.43Å; L94-Y145 HydrophobicContact CG-CG 4.19Å; T98-Y145 HydrophobicContact CG2-CD2 3.97Å; T98-Y145 HydrophobicContact CG2-CE2 3.34Å; W137-Y145 AromaticContact CD1-CE1 3.81Å; W137-Y145 AromaticContact CD2-CD1 3.84Å; W137-Y145 HydrophobicContact CD2-CD1 3.84Å; W137-Y145 AromaticContact CD2-CE1 3.87Å; W137-Y145 HydrophobicContact CD2-CE1 3.87Å; W137-Y145 AromaticContact CE2-CD1 3.54Å; W137-Y145 AromaticContact CE2-CE1 3.82Å; W137-Y145 HydrophobicContact CE3-CD1 4.23Å; W137-Y145 HydrophobicContact CG-CD1 4.37Å; W137-Y145 AromaticContact CG-CE1 3.92Å; W137-Y145 HydrophobicContact CG-CE1 3.92Å; W137-Y145 HydrophobicContact CH2-CD1 4.11Å; W137-Y145 AromaticContact CZ2-CD1 3.72Å; W137-Y145 HydrophobicContact CZ2-CD1 3.72Å; W137-Y145 HydrophobicContact CZ2-CE1 4.45Å; W137-Y145 HydrophobicContact CZ3-CD1 4.34Å; W137-Y145 AromaticContact NE1-CD1 3.87Å; W137-Y145 AromaticContact NE1-CE1 3.75Å; W137-Y145 PolarHBondContact O-OH 3.38Å; W139-Y145 HydrophobicContact CB-CD2 4.31Å; W139-Y145 HydrophobicContact CB-CE2 3.66Å; W139-Y145 HydrophobicContact CD2-CD1 4.43Å; W139-Y145 HydrophobicContact CD2-CE1 4.29Å; W139-Y145 AromaticContact CE3-CD1 3.3Å; W139-Y145 HydrophobicContact CE3-CD1 3.3Å; W139-Y145 AromaticContact CE3-CD2 3.96Å; W139-Y145 HydrophobicContact CE3-CD2 3.96Å; W139-Y145 AromaticContact CE3-CE1 3.54Å; W139-Y145 HydrophobicContact CE3-CE1 3.54Å; W139-Y145 HydrophobicContact CE3-CE2 4.15Å; W139-Y145 AromaticContact CE3-CG 3.57Å; W139-Y145 HydrophobicContact CE3-CG 3.57Å; W139-Y145 AromaticContact CE3-CZ 3.98Å; W139-Y145 AromaticContact CZ3-CD1 3.6Å; W139-Y145 HydrophobicContact CZ3-CD1 3.6Å; W139-Y145 HydrophobicContact CZ3-CE1 4.12Å; W139-Y145 HydrophobicContact CZ3-CG 4.04Å; W139-Y145 PolarHBondContact N-OH 2.81Å; W139-Y145 VanDerWaalsContact O-CE2 3.29Å; W139-Y145 WeakPolarHBondContact O-CE2 3.37Å; W139-Y145 PolarHBondContact O-OH 3.29Å; H141-Y145 WeakPolarHBondContact O-CD2 3.18Å; F142-Y145 WeakPolarHBondContact O-CB 3.25Å; F142-Y145 PolarHBondContact O-N 2.97Å; S143-Y145 VanDerWaalsContact C-N 3.29Å; S143-Y145 PolarHBondContact O-N 3.04Å; Y145-L147 PolarHBondContact O-N 3.1Å; Y145-F148 PolarHBondContact O-N 3.32Å; Y145-L149 WeakPolarHBondContact O-CG 3.44Å; Y145-L149 PolarHBondContact O-N 2.78Å |
| 146 | L | 97.7 | Very high | 94.5 | Very high | 64 Ų | 64 | 64.1 Ų | 64.1 | 34% | 0.335 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.4 | -45.2 | 176.4 | -66.4 | -177.4 | 0 | 0 | 0 | 111.7 | L91 F142 S143 F148 L149 C150 | L91-L146 HydrophobicContact CD2-CD2 3.78Å; F142-L146 HydrophobicContact CD1-CD1 3.93Å; F142-L146 HydrophobicContact CD1-CG 4.15Å; F142-L146 HydrophobicContact CE1-CD1 3.58Å; F142-L146 HydrophobicContact CE1-CD2 3.97Å; F142-L146 HydrophobicContact CE1-CG 3.79Å; F142-L146 HydrophobicContact CZ-CD1 4.3Å; F142-L146 HydrophobicContact CZ-CD2 3.83Å; F142-L146 HydrophobicContact CZ-CG 4.07Å; F142-L146 PolarHBondContact O-N 2.94Å; S143-L146 PolarHBondContact O-N 3.5Å; L146-F148 VanDerWaalsContact C-N 3.34Å; L146-F148 PolarHBondContact O-N 3.03Å; L146-L149 PolarHBondContact O-N 2.96Å; L146-C150 WeakPolarHBondContact O-CB 3.17Å; L146-C150 PolarHBondContact O-N 3.01Å; L146-C150 PolarHBondContact O-SG 3.25Å |
| 147 | L | 97.4 | Very high | 95.1 | Very high | 105 Ų | 105 | 63.7 Ų | 63.7 | 55% | 0.55 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58.2 | -47.2 | 177 | 178.5 | 61.7 | 0 | 0 | 0 | 111.3 | S143 Y145 L149 C150 L151 | S143-L147 WeakPolarHBondContact O-CB 3.42Å; S143-L147 PolarHBondContact O-N 3.17Å; Y145-L147 PolarHBondContact O-N 3.1Å; L147-L149 VanDerWaalsContact C-N 3.35Å; L147-L149 PolarHBondContact O-N 2.61Å; L147-C150 PolarHBondContact O-N 2.91Å; L147-L151 HydrophobicContact CD1-CD1 4.18Å; L147-L151 HydrophobicContact CD1-CG 4.25Å; L147-L151 HydrophobicContact CG-CD1 4.12Å; L147-L151 WeakPolarHBondContact O-CG 3.23Å; L147-L151 PolarHBondContact O-N 2.66Å |
| 148 | F | 97.3 | Very high | 95.5 | Very high | 58 Ų | 58 | 68.4 Ų | 68.4 | 25% | 0.254 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -58.6 | -46.7 | 175.7 | 176.3 | -84.9 | 0 | 0 | 0 | 111.7 | F57 I61 F136 W137 W139 N144 Y145 L146 C150 L151 F152 | F57-F148 HydrophobicContact CE2-CE1 4.03Å; F57-F148 HydrophobicContact CE2-CZ 4.22Å; I61-F148 HydrophobicContact CD1-CE1 3.83Å; F136-F148 HydrophobicContact CE2-CE2 4.27Å; F136-F148 HydrophobicContact CZ-CE2 4.31Å; F136-F148 HydrophobicContact CZ-CZ 4.12Å; W137-F148 AromaticContact CH2-CD1 3.82Å; W137-F148 HydrophobicContact CH2-CD1 3.82Å; W137-F148 HydrophobicContact CH2-CE1 4.19Å; W137-F148 AromaticContact CZ3-CD1 3.35Å; W137-F148 HydrophobicContact CZ3-CD1 3.35Å; W137-F148 AromaticContact CZ3-CE1 3.58Å; W137-F148 HydrophobicContact CZ3-CE1 3.58Å; W137-F148 AromaticContact CZ3-CG 3.97Å; W137-F148 HydrophobicContact CZ3-CG 3.97Å; W137-F148 HydrophobicContact CZ3-CZ 4.38Å; W139-F148 HydrophobicContact CH2-CB 3.75Å; W139-F148 HydrophobicContact CH2-CD1 4.4Å; W139-F148 AromaticContact CH2-CD2 3.76Å; W139-F148 HydrophobicContact CH2-CD2 3.76Å; W139-F148 HydrophobicContact CH2-CE2 4.47Å; W139-F148 AromaticContact CH2-CG 3.7Å; W139-F148 HydrophobicContact CH2-CG 3.7Å; W139-F148 HydrophobicContact CZ3-CB 3.83Å; W139-F148 HydrophobicContact CZ3-CG 4.16Å; N144-F148 PolarHBondContact O-N 3.24Å; N144-F148 VanDerWaalsContact O-N 3.07Å; Y145-F148 PolarHBondContact O-N 3.32Å; L146-F148 VanDerWaalsContact C-N 3.34Å; L146-F148 PolarHBondContact O-N 3.03Å; F148-C150 VanDerWaalsContact C-N 3.35Å; F148-C150 PolarHBondContact O-N 2.7Å; F148-L151 PolarHBondContact O-N 3.13Å; F148-F152 HydrophobicContact CE1-CB 4.25Å; F148-F152 VanDerWaalsContact O-CB 3.27Å; F148-F152 WeakPolarHBondContact O-CB 3.39Å; F148-F152 PolarHBondContact O-N 3.26Å |
| 149 | L | 98.2 | Very high | 96 | Very high | 11 Ų | 11 | 65.2 Ų | 65.2 | 6% | 0.058 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.7 | -39.1 | -179.4 | -67.3 | 167.3 | 0 | 0 | 0 | 111.7 | L60 I61 I64 L91 W137 Y145 L146 L147 T153 | L60-L149 HydrophobicContact CB-CD2 3.84Å; L60-L149 HydrophobicContact CD1-CD1 3.94Å; L60-L149 HydrophobicContact CD1-CD2 4.32Å; L60-L149 HydrophobicContact CD2-CD1 4.26Å; I61-L149 HydrophobicContact CD1-CD2 4.39Å; I64-L149 HydrophobicContact CD1-CB 4.47Å; I64-L149 HydrophobicContact CD1-CD2 3.82Å; L91-L149 HydrophobicContact CD2-CD1 3.71Å; W137-L149 HydrophobicContact CH2-CD2 3.87Å; W137-L149 HydrophobicContact CH2-CG 4.12Å; Y145-L149 WeakPolarHBondContact O-CG 3.44Å; Y145-L149 PolarHBondContact O-N 2.78Å; L146-L149 PolarHBondContact O-N 2.96Å; L147-L149 VanDerWaalsContact C-N 3.35Å; L147-L149 PolarHBondContact O-N 2.61Å; L149-T153 VanDerWaalsContact O-CB 3.29Å; L149-T153 WeakPolarHBondContact O-CB 3.5Å; L149-T153 PolarHBondContact O-N 3.36Å; L149-T153 PolarHBondContact O-OG1 3.04Å |
| 150 | C | 98.3 | Very high | 96.4 | Very high | 84 Ų | 84 | 62.1 Ų | 62.1 | 57% | 0.568 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -63.4 | -47.8 | 174.6 | -70.6 | 0 | 0 | 0 | 0 | 111.4 | L146 L147 F148 T153 L154 | L146-C150 WeakPolarHBondContact O-CB 3.17Å; L146-C150 PolarHBondContact O-N 3.01Å; L146-C150 PolarHBondContact O-SG 3.25Å; L147-C150 PolarHBondContact O-N 2.91Å; F148-C150 VanDerWaalsContact C-N 3.35Å; F148-C150 PolarHBondContact O-N 2.7Å; C150-T153 PolarHBondContact O-N 2.94Å; C150-L154 WeakPolarHBondContact O-CB 3.27Å; C150-L154 PolarHBondContact O-N 3.32Å |
| 151 | L | 98.4 | Very high | 97 | Very high | 90 Ų | 90 | 67.6 Ų | 67.6 | 47% | 0.471 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.7 | -44.3 | 176.9 | -71.4 | 173.3 | 0 | 0 | 0 | 111.6 | L147 F148 T153 L154 I155 | L147-L151 HydrophobicContact CD1-CD1 4.18Å; L147-L151 HydrophobicContact CD1-CG 4.25Å; L147-L151 HydrophobicContact CG-CD1 4.12Å; L147-L151 WeakPolarHBondContact O-CG 3.23Å; L147-L151 PolarHBondContact O-N 2.66Å; F148-L151 PolarHBondContact O-N 3.13Å; L151-T153 PolarHBondContact O-N 3.32Å; L151-L154 PolarHBondContact O-N 3.16Å; L151-I155 WeakPolarHBondContact O-CB 3.35Å; L151-I155 VanDerWaalsContact O-CG1 3.28Å; L151-I155 WeakPolarHBondContact O-CG1 3.46Å; L151-I155 PolarHBondContact O-N 3.37Å |
| 152 | F | 98.3 | Very high | 97.4 | Very high | 53 Ų | 53 | 67.3 Ų | 67.3 | 23% | 0.232 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.4 | -46.9 | 175.8 | 177.9 | -96.9 | 0 | 0 | 0 | 111.1 | I61 I64 L65 F148 L154 I155 S156 | I61-F152 HydrophobicContact CD1-CD1 3.61Å; I61-F152 HydrophobicContact CD1-CD2 4.02Å; I61-F152 HydrophobicContact CD1-CE1 3.71Å; I61-F152 HydrophobicContact CD1-CE2 4.11Å; I61-F152 HydrophobicContact CD1-CG 3.78Å; I61-F152 HydrophobicContact CD1-CZ 3.96Å; I61-F152 HydrophobicContact CG2-CE1 3.99Å; I61-F152 HydrophobicContact CG2-CE2 4.28Å; I61-F152 HydrophobicContact CG2-CZ 3.63Å; I64-F152 HydrophobicContact CB-CE1 4.28Å; I64-F152 HydrophobicContact CD1-CD1 4.29Å; I64-F152 HydrophobicContact CG2-CD1 4.01Å; I64-F152 HydrophobicContact CG2-CE1 3.92Å; L65-F152 HydrophobicContact CD1-CZ 4.22Å; L65-F152 HydrophobicContact CD2-CE1 4.07Å; L65-F152 HydrophobicContact CD2-CZ 3.76Å; L65-F152 HydrophobicContact CG-CE1 4.1Å; L65-F152 HydrophobicContact CG-CZ 3.91Å; F148-F152 HydrophobicContact CE1-CB 4.25Å; F148-F152 VanDerWaalsContact O-CB 3.27Å; F148-F152 WeakPolarHBondContact O-CB 3.39Å; F148-F152 PolarHBondContact O-N 3.26Å; F152-L154 PolarHBondContact O-N 3.45Å; F152-I155 PolarHBondContact O-N 3.19Å; F152-S156 VanDerWaalsContact O-CB 3.29Å; F152-S156 WeakPolarHBondContact O-CB 3.25Å; F152-S156 PolarHBondContact O-N 3.46Å; F152-S156 PolarHBondContact O-OG 3.46Å |
| 153 | T | 98.6 | Very high | 97.6 | Very high | 56 Ų | 56 | 69.8 Ų | 69.8 | 34% | 0.344 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63 | -41.9 | 178.3 | -55.4 | 0 | 0 | 0 | 0 | 111.4 | I64 L149 C150 L151 S156 G157 | I64-T153 HydrophobicContact CG2-CG2 4.24Å; L149-T153 VanDerWaalsContact O-CB 3.29Å; L149-T153 WeakPolarHBondContact O-CB 3.5Å; L149-T153 PolarHBondContact O-N 3.36Å; L149-T153 PolarHBondContact O-OG1 3.04Å; C150-T153 PolarHBondContact O-N 2.94Å; L151-T153 PolarHBondContact O-N 3.32Å; T153-S156 PolarHBondContact O-OG 3.01Å; T153-G157 WeakPolarHBondContact O-CA 3.42Å; T153-G157 PolarHBondContact O-N 3.01Å |
| 154 | L | 98.5 | Very high | 97.7 | Very high | 123 Ų | 123 | 68.5 Ų | 68.5 | 64% | 0.644 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -63.4 | -49.8 | 177.6 | -173.5 | 103.6 | 0 | 0 | 0 | 111.5 | C150 L151 F152 G157 L158 | C150-L154 WeakPolarHBondContact O-CB 3.27Å; C150-L154 PolarHBondContact O-N 3.32Å; L151-L154 PolarHBondContact O-N 3.16Å; F152-L154 PolarHBondContact O-N 3.45Å; L154-G157 PolarHBondContact O-N 3.37Å; L154-L158 WeakPolarHBondContact O-CB 3.49Å; L154-L158 PolarHBondContact O-N 2.95Å |
| 155 | I | 98.5 | Very high | 97.7 | Very high | 103 Ų | 103 | 70.9 Ų | 70.9 | 53% | 0.528 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -66.1 | -51.1 | -178.1 | -66.6 | 166.5 | 0 | 0 | 0 | 110.3 | L151 F152 G157 L158 C159 | L151-I155 WeakPolarHBondContact O-CB 3.35Å; L151-I155 VanDerWaalsContact O-CG1 3.28Å; L151-I155 WeakPolarHBondContact O-CG1 3.46Å; L151-I155 PolarHBondContact O-N 3.37Å; F152-I155 PolarHBondContact O-N 3.19Å; I155-G157 VanDerWaalsContact C-N 3.29Å; I155-G157 PolarHBondContact O-N 2.99Å; I155-L158 PolarHBondContact O-N 2.93Å; I155-C159 PolarHBondContact O-N 3.42Å; I155-C159 PolarHBondContact O-SG 3.44Å |
| 156 | S | 98.2 | Very high | 97.8 | Very high | 12 Ų | 12 | 73 Ų | 73 | 8% | 0.084 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -64.6 | -34.7 | 178.6 | 57.6 | 0 | 0 | 0 | 0 | 112.2 | L68 F152 T153 T160 | L68-S156 WeakPolarHBondContact CD1-OG 3.5Å; F152-S156 VanDerWaalsContact O-CB 3.29Å; F152-S156 WeakPolarHBondContact O-CB 3.25Å; F152-S156 PolarHBondContact O-N 3.46Å; F152-S156 PolarHBondContact O-OG 3.46Å; T153-S156 PolarHBondContact O-OG 3.01Å; S156-T160 VanDerWaalsContact O-CB 3.28Å; S156-T160 WeakPolarHBondContact O-CB 3.25Å; S156-T160 PolarHBondContact O-N 3.25Å; S156-T160 PolarHBondContact O-OG1 2.81Å |
| 157 | G | 98.4 | Very high | 97.7 | Very high | 21 Ų | 21 | 75.8 Ų | 75.8 | 22% | 0.216 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -64.2 | -45.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | T153 L154 I155 T160 Y161 | T153-G157 WeakPolarHBondContact O-CA 3.42Å; T153-G157 PolarHBondContact O-N 3.01Å; L154-G157 PolarHBondContact O-N 3.37Å; I155-G157 VanDerWaalsContact C-N 3.29Å; I155-G157 PolarHBondContact O-N 2.99Å; G157-T160 PolarHBondContact O-N 2.82Å; G157-Y161 WeakPolarHBondContact O-CB 3.23Å; G157-Y161 PolarHBondContact O-N 3.5Å |
| 158 | L | 98.3 | Very high | 97.6 | Very high | 100 Ų | 100 | 76.8 Ų | 76.8 | 52% | 0.524 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.5 | -46.6 | 175.5 | -179.5 | 62.4 | 0 | 0 | 0 | 111.6 | L154 I155 T160 Y161 L162 | L154-L158 WeakPolarHBondContact O-CB 3.49Å; L154-L158 PolarHBondContact O-N 2.95Å; I155-L158 PolarHBondContact O-N 2.93Å; L158-T160 VanDerWaalsContact C-N 3.26Å; L158-T160 PolarHBondContact O-N 3.33Å; L158-Y161 PolarHBondContact O-N 3.32Å; L158-L162 HydrophobicContact CD1-CD1 4.04Å; L158-L162 HydrophobicContact CD1-CG 4.15Å; L158-L162 HydrophobicContact CG-CD1 4Å; L158-L162 HydrophobicContact CG-CG 4.47Å; L158-L162 VanDerWaalsContact O-CG 3.3Å; L158-L162 WeakPolarHBondContact O-CG 3.33Å; L158-L162 PolarHBondContact O-N 2.87Å |
| 159 | C | 97.9 | Very high | 97.6 | Very high | 53 Ų | 53 | 76 Ų | 76 | 36% | 0.358 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -57.3 | -43 | 173.7 | -69.4 | 0 | 0 | 0 | 0 | 111.2 | I155 L162 L163 | I155-C159 PolarHBondContact O-N 3.42Å; I155-C159 PolarHBondContact O-SG 3.44Å; C159-L162 PolarHBondContact O-N 3.46Å; C159-L163 VanDerWaalsContact O-CB 3.26Å; C159-L163 WeakPolarHBondContact O-CB 3.24Å; C159-L163 WeakPolarHBondContact O-CG 3.44Å; C159-L163 PolarHBondContact O-N 2.67Å |
| 160 | T | 98 | Very high | 97.6 | Very high | 7 Ų | 7 | 75.7 Ų | 75.7 | 4% | 0.043 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -64.7 | -43.4 | 178.9 | -59.3 | 0 | 0 | 0 | 0 | 111.9 | L68 V72 S156 G157 L158 S164 Y169 L173 | L68-T160 HydrophobicContact CB-CG2 4.46Å; V72-T160 HydrophobicContact CG1-CG2 3.57Å; V72-T160 HydrophobicContact CG2-CG2 4.42Å; S156-T160 VanDerWaalsContact O-CB 3.28Å; S156-T160 WeakPolarHBondContact O-CB 3.25Å; S156-T160 PolarHBondContact O-N 3.25Å; S156-T160 PolarHBondContact O-OG1 2.81Å; G157-T160 PolarHBondContact O-N 2.82Å; L158-T160 VanDerWaalsContact C-N 3.26Å; L158-T160 PolarHBondContact O-N 3.33Å; T160-S164 WeakPolarHBondContact O-CA 3.47Å; T160-S164 VanDerWaalsContact O-CB 3.27Å; T160-S164 WeakPolarHBondContact O-CB 3.27Å; T160-S164 PolarHBondContact O-N 3.48Å; T160-Y169 VanDerWaalsContact CA-OH 3.29Å; T160-Y169 WeakPolarHBondContact CA-OH 3.27Å; T160-Y169 HydrophobicContact CG2-CE1 4.22Å; T160-Y169 PolarHBondContact N-OH 3.47Å; T160-Y169 PolarHBondContact OG1-OH 3.47Å; T160-L173 HydrophobicContact CG2-CD2 3.9Å |
| 161 | Y | 97.3 | Very high | 97.4 | Very high | 176 Ų | 176 | 75 Ų | 75 | 69% | 0.69 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -59.6 | -52.1 | 175.9 | 176.5 | -103.5 | 0 | 0 | 0 | 111.3 | G157 L158 L163 S164 | G157-Y161 WeakPolarHBondContact O-CB 3.23Å; G157-Y161 PolarHBondContact O-N 3.5Å; L158-Y161 PolarHBondContact O-N 3.32Å; Y161-L163 VanDerWaalsContact C-N 3.35Å; Y161-L163 PolarHBondContact O-N 2.86Å; Y161-S164 PolarHBondContact O-OG 3.45Å |
| 162 | L | 98 | Very high | 97.4 | Very high | 114 Ų | 114 | 75.3 Ų | 75.3 | 60% | 0.597 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -66.2 | -33.1 | -177.3 | -66 | 175.1 | 0 | 0 | 0 | 113.5 | L158 C159 | L158-L162 HydrophobicContact CD1-CD1 4.04Å; L158-L162 HydrophobicContact CD1-CG 4.15Å; L158-L162 HydrophobicContact CG-CD1 4Å; L158-L162 HydrophobicContact CG-CG 4.47Å; L158-L162 VanDerWaalsContact O-CG 3.3Å; L158-L162 WeakPolarHBondContact O-CG 3.33Å; L158-L162 PolarHBondContact O-N 2.87Å; C159-L162 PolarHBondContact O-N 3.46Å |
| 163 | L | 97.5 | Very high | 97.4 | Very high | 82 Ų | 82 | 73.2 Ų | 73.2 | 43% | 0.429 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -103.9 | 7.2 | -174.9 | -59 | 173.7 | 0 | 0 | 0 | 113.5 | C159 Y161 S165 S166 Y169 | C159-L163 VanDerWaalsContact O-CB 3.26Å; C159-L163 WeakPolarHBondContact O-CB 3.24Å; C159-L163 WeakPolarHBondContact O-CG 3.44Å; C159-L163 PolarHBondContact O-N 2.67Å; Y161-L163 VanDerWaalsContact C-N 3.35Å; Y161-L163 PolarHBondContact O-N 2.86Å; L163-S165 PolarHBondContact O-N 2.95Å; L163-S165 VanDerWaalsContact O-N 3.17Å; L163-S166 WeakPolarHBondContact O-CB 3.29Å; L163-S166 PolarHBondContact O-N 3.12Å; L163-Y169 HydrophobicContact CB-CD1 3.64Å; L163-Y169 HydrophobicContact CB-CD2 3.83Å; L163-Y169 HydrophobicContact CB-CE1 4.04Å; L163-Y169 HydrophobicContact CB-CE2 4.18Å; L163-Y169 HydrophobicContact CB-CG 3.53Å; L163-Y169 HydrophobicContact CD1-CD2 3.56Å; L163-Y169 HydrophobicContact CD1-CE2 3.69Å; L163-Y169 HydrophobicContact CD1-CG 4.16Å; L163-Y169 HydrophobicContact CG-CD2 4.35Å; L163-Y169 HydrophobicContact CG-CG 4.5Å |
| 164 | S | 95.9 | Very high | 97.2 | Very high | 52 Ų | 52 | 70.6 Ų | 70.6 | 36% | 0.364 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -28.5 | -176.4 | 55.3 | 0 | 0 | 0 | 0 | 113.8 | T160 Y161 S166 | T160-S164 WeakPolarHBondContact O-CA 3.47Å; T160-S164 VanDerWaalsContact O-CB 3.27Å; T160-S164 WeakPolarHBondContact O-CB 3.27Å; T160-S164 PolarHBondContact O-N 3.48Å; Y161-S164 PolarHBondContact O-OG 3.45Å; S164-S166 VanDerWaalsContact C-N 3.27Å; S164-S166 PolarHBondContact O-N 3.33Å |
| 165 | S | 96.1 | Very high | 97.2 | Very high | 120 Ų | 120 | 68.9 Ų | 68.9 | 84% | 0.839 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -15.7 | 176.7 | -48.3 | 0 | 0 | 0 | 0 | 113.8 | L163 | L163-S165 PolarHBondContact O-N 2.95Å; L163-S165 VanDerWaalsContact O-N 3.17Å |
| 166 | S | 96.5 | Very high | 97.1 | Very high | 49 Ų | 49 | 66.8 Ų | 66.8 | 34% | 0.343 | 36% | 0.358 | S | S | . | . | trans | -89.9 | 111.1 | -179.4 | 176.9 | 0 | 0 | 0 | 0 | 111 | L163 S164 I168 Y169 V170 | L163-S166 WeakPolarHBondContact O-CB 3.29Å; L163-S166 PolarHBondContact O-N 3.12Å; S164-S166 VanDerWaalsContact C-N 3.27Å; S164-S166 PolarHBondContact O-N 3.33Å; S166-I168 PolarHBondContact O-N 3.09Å; S166-Y169 WeakPolarHBondContact O-CB 3.33Å; S166-Y169 PolarHBondContact O-N 3.45Å; S166-Y169 PolarHBondContact OG-N 3.35Å; S166-V170 WeakPolarHBondContact O-CG2 3.42Å; S166-V170 PolarHBondContact O-N 2.97Å | ||
| 167 | Q | 95.8 | Very high | 97.1 | Very high | 122 Ų | 122 | 66.2 Ų | 66.2 | 57% | 0.57 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -59.4 | -34.5 | 177.7 | -171.6 | 64.2 | 3.5 | 0 | 0 | 112.4 | Y169 V170 Q171 | Q167-Y169 VanDerWaalsContact C-N 3.35Å; Q167-V170 PolarHBondContact O-N 3Å; Q167-Q171 WeakPolarHBondContact O-CG 3.07Å; Q167-Q171 PolarHBondContact O-N 3Å |
| 168 | I | 96.8 | Very high | 97 | Very high | 126 Ų | 126 | 65.5 Ų | 65.5 | 65% | 0.646 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -62.3 | -45.8 | 176.6 | -61.4 | 172.9 | 0 | 0 | 0 | 109.9 | S166 V170 Q171 L172 | S166-I168 PolarHBondContact O-N 3.09Å; I168-V170 PolarHBondContact O-N 3.47Å; I168-Q171 PolarHBondContact O-N 2.92Å; I168-L172 HydrophobicContact CG2-CD1 3.9Å; I168-L172 HydrophobicContact CG2-CG 4.38Å; I168-L172 WeakPolarHBondContact O-CB 3.22Å; I168-L172 VanDerWaalsContact O-CG 3.29Å; I168-L172 WeakPolarHBondContact O-CG 3.45Å; I168-L172 PolarHBondContact O-N 3.13Å |
| 169 | Y | 97.1 | Very high | 97 | Very high | 43 Ų | 43 | 64.6 Ų | 64.6 | 17% | 0.169 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.6 | -45.6 | 177.4 | 174.1 | -95 | 0 | 0 | 0 | 111.4 | T160 L163 S166 Q167 Q171 L172 L173 | T160-Y169 VanDerWaalsContact CA-OH 3.29Å; T160-Y169 WeakPolarHBondContact CA-OH 3.27Å; T160-Y169 HydrophobicContact CG2-CE1 4.22Å; T160-Y169 PolarHBondContact N-OH 3.47Å; T160-Y169 PolarHBondContact OG1-OH 3.47Å; L163-Y169 HydrophobicContact CB-CD1 3.64Å; L163-Y169 HydrophobicContact CB-CD2 3.83Å; L163-Y169 HydrophobicContact CB-CE1 4.04Å; L163-Y169 HydrophobicContact CB-CE2 4.18Å; L163-Y169 HydrophobicContact CB-CG 3.53Å; L163-Y169 HydrophobicContact CD1-CD2 3.56Å; L163-Y169 HydrophobicContact CD1-CE2 3.69Å; L163-Y169 HydrophobicContact CD1-CG 4.16Å; L163-Y169 HydrophobicContact CG-CD2 4.35Å; L163-Y169 HydrophobicContact CG-CG 4.5Å; S166-Y169 WeakPolarHBondContact O-CB 3.33Å; S166-Y169 PolarHBondContact O-N 3.45Å; S166-Y169 PolarHBondContact OG-N 3.35Å; Q167-Y169 VanDerWaalsContact C-N 3.35Å; Y169-Q171 PolarHBondContact O-N 3.01Å; Y169-L172 PolarHBondContact O-N 2.95Å; Y169-L173 HydrophobicContact CE1-CB 4.37Å; Y169-L173 HydrophobicContact CE1-CD2 4.07Å; Y169-L173 WeakPolarHBondContact O-CB 3.47Å; Y169-L173 PolarHBondContact O-N 2.96Å |
| 170 | V | 96.7 | Very high | 97 | Very high | 4 Ų | 4 | 64.2 Ų | 64.2 | 2% | 0.024 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.3 | -46.5 | 179.7 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | F69 V72 Q73 S166 Q167 I168 L173 G174 | F69-V170 HydrophobicContact CD2-CG1 4.35Å; F69-V170 WeakPolarHBondContact CD2-O 3.36Å; F69-V170 HydrophobicContact CE2-CG1 3.79Å; F69-V170 VanDerWaalsContact CE2-O 3.24Å; F69-V170 WeakPolarHBondContact CE2-O 3.49Å; V72-V170 HydrophobicContact CB-CG1 4.47Å; V72-V170 HydrophobicContact CB-CG2 4.1Å; V72-V170 HydrophobicContact CG2-CG1 3.99Å; V72-V170 HydrophobicContact CG2-CG2 4.1Å; Q73-V170 HydrophobicContact CB-CG1 3.81Å; S166-V170 WeakPolarHBondContact O-CG2 3.42Å; S166-V170 PolarHBondContact O-N 2.97Å; Q167-V170 PolarHBondContact O-N 3Å; I168-V170 PolarHBondContact O-N 3.47Å; V170-L173 PolarHBondContact O-N 3.28Å; V170-G174 PolarHBondContact O-N 3.48Å; V170-G174 VanDerWaalsContact O-N 3.14Å |
| 171 | Q | 96 | Very high | 96.9 | Very high | 68 Ų | 68 | 64.4 Ų | 64.4 | 32% | 0.318 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.5 | -42.5 | 176 | -64.7 | -49.6 | -49.4 | 0 | 0 | 112.1 | Q167 I168 Y169 L173 G174 F175 Q228 | Q167-Q171 WeakPolarHBondContact O-CG 3.07Å; Q167-Q171 PolarHBondContact O-N 3Å; I168-Q171 PolarHBondContact O-N 2.92Å; Y169-Q171 PolarHBondContact O-N 3.01Å; Q171-L173 VanDerWaalsContact C-N 3.33Å; Q171-L173 PolarHBondContact O-N 3.47Å; Q171-G174 PolarHBondContact O-N 3.16Å; Q171-F175 WeakPolarHBondContact O-CB 3.38Å; Q171-F175 PolarHBondContact O-N 3.34Å; Q171-Q228 PolarHBondContact O-OE1 3.36Å |
| 172 | L | 96.9 | Very high | 96.8 | Very high | 97 Ų | 97 | 56.1 Ų | 56.1 | 51% | 0.508 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.3 | -37.4 | 177.4 | -74.1 | 175.3 | 0 | 0 | 0 | 112.3 | I168 Y169 T176 | I168-L172 HydrophobicContact CG2-CD1 3.9Å; I168-L172 HydrophobicContact CG2-CG 4.38Å; I168-L172 WeakPolarHBondContact O-CB 3.22Å; I168-L172 VanDerWaalsContact O-CG 3.29Å; I168-L172 WeakPolarHBondContact O-CG 3.45Å; I168-L172 PolarHBondContact O-N 3.13Å; Y169-L172 PolarHBondContact O-N 2.95Å; L172-T176 WeakPolarHBondContact O-CB 3.39Å; L172-T176 PolarHBondContact O-N 3.31Å; L172-T176 PolarHBondContact O-OG1 3.35Å |
| 173 | L | 97.8 | Very high | 96.7 | Very high | 10 Ų | 10 | 52.5 Ų | 52.5 | 5% | 0.052 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.1 | -49.9 | 177 | 178.1 | 65.5 | 0 | 0 | 0 | 110.8 | L65 L68 F69 V72 T160 Y169 V170 Q171 T176 A177 | L65-L173 HydrophobicContact CB-CD1 4.38Å; L65-L173 HydrophobicContact CD2-CD1 3.85Å; L68-L173 HydrophobicContact CB-CD2 4.4Å; F69-L173 HydrophobicContact CB-CD2 4.12Å; F69-L173 HydrophobicContact CB-CG 4.11Å; F69-L173 HydrophobicContact CD2-CD2 4.45Å; F69-L173 HydrophobicContact CD2-CG 4.44Å; V72-L173 HydrophobicContact CG2-CD2 4.07Å; T160-L173 HydrophobicContact CG2-CD2 3.9Å; Y169-L173 HydrophobicContact CE1-CB 4.37Å; Y169-L173 HydrophobicContact CE1-CD2 4.07Å; Y169-L173 WeakPolarHBondContact O-CB 3.47Å; Y169-L173 PolarHBondContact O-N 2.96Å; V170-L173 PolarHBondContact O-N 3.28Å; Q171-L173 VanDerWaalsContact C-N 3.33Å; Q171-L173 PolarHBondContact O-N 3.47Å; L173-T176 PolarHBondContact O-N 3.17Å; L173-A177 WeakPolarHBondContact O-CB 3.43Å; L173-A177 PolarHBondContact O-N 3.34Å |
| 174 | G | 96.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.1 | -48.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V170 Q171 T176 A177 L178 | V170-G174 PolarHBondContact O-N 3.48Å; V170-G174 VanDerWaalsContact O-N 3.14Å; Q171-G174 PolarHBondContact O-N 3.16Å; G174-T176 PolarHBondContact O-N 3.19Å; G174-A177 PolarHBondContact O-N 2.72Å; G174-L178 WeakPolarHBondContact O-CG 3.4Å; G174-L178 PolarHBondContact O-N 3.26Å |
| 175 | F | 97 | Very high | 96.3 | Very high | 88 Ų | 88 | 47.3 Ų | 47.3 | 39% | 0.386 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.3 | -47.8 | 175.3 | 178 | -99.7 | 0 | 0 | 0 | 111.4 | Q171 A177 L178 F179 Q228 | Q171-F175 WeakPolarHBondContact O-CB 3.38Å; Q171-F175 PolarHBondContact O-N 3.34Å; F175-A177 PolarHBondContact O-N 3.32Å; F175-L178 PolarHBondContact O-N 2.97Å; F175-F179 HydrophobicContact CD1-CB 4.36Å; F175-F179 HydrophobicContact CE1-CB 4.04Å; F175-F179 HydrophobicContact CE1-CD2 4.3Å; F175-F179 HydrophobicContact CE1-CG 4.09Å; F175-F179 HydrophobicContact CZ-CB 4.15Å; F175-F179 AromaticContact CZ-CD2 3.83Å; F175-F179 HydrophobicContact CZ-CD2 3.83Å; F175-F179 HydrophobicContact CZ-CG 4.08Å; F175-F179 WeakPolarHBondContact O-CB 3.06Å; F175-F179 PolarHBondContact O-N 2.95Å; F175-Q228 VanDerWaalsContact N-OE1 3.16Å |
| 176 | T | 97.7 | Very high | 96.1 | Very high | 58 Ų | 58 | 44.7 Ų | 44.7 | 36% | 0.356 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62 | -43.2 | -179.5 | -61.2 | 0 | 0 | 0 | 0 | 111.6 | L65 L172 L173 G174 L178 F179 I180 | L65-T176 HydrophobicContact CD1-CG2 4.2Å; L172-T176 WeakPolarHBondContact O-CB 3.39Å; L172-T176 PolarHBondContact O-N 3.31Å; L172-T176 PolarHBondContact O-OG1 3.35Å; L173-T176 PolarHBondContact O-N 3.17Å; G174-T176 PolarHBondContact O-N 3.19Å; T176-L178 VanDerWaalsContact C-N 3.32Å; T176-L178 PolarHBondContact O-N 3.08Å; T176-F179 PolarHBondContact O-N 3Å; T176-I180 HydrophobicContact CG2-CD1 3.72Å; T176-I180 HydrophobicContact CG2-CG1 4.28Å; T176-I180 WeakPolarHBondContact O-CB 3.36Å; T176-I180 VanDerWaalsContact O-CG1 3.24Å; T176-I180 WeakPolarHBondContact O-CG1 3.37Å; T176-I180 PolarHBondContact O-N 2.78Å |
| 177 | A | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.2 | -46.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | S62 L65 R66 L173 G174 F175 E181 | S62-A177 VanDerWaalsContact CB-O 3.32Å; S62-A177 WeakPolarHBondContact CB-O 3.15Å; S62-A177 PolarHBondContact OG-O 3.02Å; L65-A177 HydrophobicContact CB-CB 3.65Å; R66-A177 HydrophobicContact CB-CB 4.14Å; L173-A177 WeakPolarHBondContact O-CB 3.43Å; L173-A177 PolarHBondContact O-N 3.34Å; G174-A177 PolarHBondContact O-N 2.72Å; F175-A177 PolarHBondContact O-N 3.32Å; A177-E181 PolarHBondContact O-N 3.45Å |
| 178 | L | 96.7 | Very high | 95.5 | Very high | 6 Ų | 6 | 41.8 Ų | 41.8 | 3% | 0.031 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -77.2 | -35.8 | -178.2 | -64.8 | 165.3 | 0 | 0 | 0 | 112.5 | G174 F175 T176 E181 S182 Q228 F229 C232 | G174-L178 WeakPolarHBondContact O-CG 3.4Å; G174-L178 PolarHBondContact O-N 3.26Å; F175-L178 PolarHBondContact O-N 2.97Å; T176-L178 VanDerWaalsContact C-N 3.32Å; T176-L178 PolarHBondContact O-N 3.08Å; L178-E181 WeakPolarHBondContact O-CB 3.31Å; L178-E181 PolarHBondContact O-N 3.44Å; L178-S182 PolarHBondContact O-N 3.41Å; L178-Q228 HydrophobicContact CD1-CB 4.07Å; L178-Q228 HydrophobicContact CD1-CG 3.73Å; L178-F229 HydrophobicContact CD1-CB 4.37Å; L178-F229 HydrophobicContact CD1-CD1 3.89Å; L178-F229 HydrophobicContact CD1-CD2 3.69Å; L178-F229 HydrophobicContact CD1-CE1 4.09Å; L178-F229 HydrophobicContact CD1-CE2 3.88Å; L178-F229 HydrophobicContact CD1-CG 3.7Å; L178-F229 HydrophobicContact CD1-CZ 4.08Å; L178-F229 HydrophobicContact CD2-CD1 3.68Å; L178-F229 HydrophobicContact CD2-CE1 3.67Å; L178-F229 HydrophobicContact CD2-CG 4.34Å; L178-F229 HydrophobicContact CD2-CZ 4.29Å; L178-F229 HydrophobicContact CG-CD1 4.45Å; L178-F229 HydrophobicContact CG-CE1 4.45Å; L178-C232 HydrophobicContact CB-CB 3.83Å |
| 179 | F | 97.6 | Very high | 95.3 | Very high | 81 Ų | 81 | 38.7 Ų | 38.7 | 36% | 0.355 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -66.1 | -42.4 | 178.3 | -175.2 | -104.3 | 0 | 0 | 0 | 111.2 | F175 T176 E181 S182 M183 L235 | F175-F179 HydrophobicContact CD1-CB 4.36Å; F175-F179 HydrophobicContact CE1-CB 4.04Å; F175-F179 HydrophobicContact CE1-CD2 4.3Å; F175-F179 HydrophobicContact CE1-CG 4.09Å; F175-F179 HydrophobicContact CZ-CB 4.15Å; F175-F179 AromaticContact CZ-CD2 3.83Å; F175-F179 HydrophobicContact CZ-CD2 3.83Å; F175-F179 HydrophobicContact CZ-CG 4.08Å; F175-F179 WeakPolarHBondContact O-CB 3.06Å; F175-F179 PolarHBondContact O-N 2.95Å; T176-F179 PolarHBondContact O-N 3Å; F179-E181 VanDerWaalsContact C-N 3.29Å; F179-E181 PolarHBondContact O-N 2.95Å; F179-S182 WeakPolarHBondContact CA-OG 3.17Å; F179-S182 PolarHBondContact O-N 3.49Å; F179-S182 PolarHBondContact O-OG 2.84Å; F179-M183 HydrophobicContact CD1-CG 4.31Å; F179-M183 HydrophobicContact CE1-CG 3.91Å; F179-M183 HydrophobicContact CE2-CE 4.03Å; F179-M183 HydrophobicContact CE2-CG 4.41Å; F179-M183 HydrophobicContact CE2-SD 4.36Å; F179-M183 HydrophobicContact CZ-CE 4.28Å; F179-M183 HydrophobicContact CZ-CG 3.97Å; F179-M183 HydrophobicContact CZ-SD 4.01Å; F179-M183 WeakPolarHBondContact O-CG 3.49Å; F179-M183 PolarHBondContact O-N 3.16Å; F179-L235 HydrophobicContact CD2-CD2 4.2Å; F179-L235 HydrophobicContact CE2-CD2 3.92Å |
| 180 | I | 97.4 | Very high | 94.9 | Very high | 46 Ų | 46 | 39.1 Ų | 39.1 | 24% | 0.236 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -57.8 | -45.1 | 173.5 | -70.6 | 170 | 0 | 0 | 0 | 110.3 | I58 I61 L65 T176 S182 M183 | I58-I180 HydrophobicContact CG2-CG2 3.8Å; I58-I180 WeakPolarHBondContact CG2-O 3.4Å; I61-I180 HydrophobicContact CG2-CD1 4.09Å; L65-I180 HydrophobicContact CD1-CD1 3.88Å; T176-I180 HydrophobicContact CG2-CD1 3.72Å; T176-I180 HydrophobicContact CG2-CG1 4.28Å; T176-I180 WeakPolarHBondContact O-CB 3.36Å; T176-I180 VanDerWaalsContact O-CG1 3.24Å; T176-I180 WeakPolarHBondContact O-CG1 3.37Å; T176-I180 PolarHBondContact O-N 2.78Å; I180-S182 VanDerWaalsContact C-N 3.3Å; I180-S182 PolarHBondContact O-N 3.29Å; I180-M183 PolarHBondContact O-N 3.24Å |
| 181 | E | 96.4 | Very high | 94.5 | Very high | 11 Ų | 11 | 44.1 Ų | 44.1 | 5% | 0.051 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.3 | -42.2 | 174.6 | -154.4 | 177.8 | 161.1 | 0 | 0 | 111.2 | L59 S62 R66 A177 L178 F179 M183 L184 K216 Q236 | L59-E181 HydrophobicContact CD2-CG 4.12Å; S62-E181 WeakPolarHBondContact OG-CB 3.46Å; R66-E181 IonicContact CZ-OE2 3.52Å; R66-E181 IonicContact NH1-OE1 3.69Å; R66-E181 IonicContact NH1-OE2 2.66Å; R66-E181 PolarHBondContact NH1-OE2 3.35Å; R66-E181 IonicContact NH2-OE2 3.98Å; A177-E181 PolarHBondContact O-N 3.45Å; L178-E181 WeakPolarHBondContact O-CB 3.31Å; L178-E181 PolarHBondContact O-N 3.44Å; F179-E181 VanDerWaalsContact C-N 3.29Å; F179-E181 PolarHBondContact O-N 2.95Å; E181-M183 PolarHBondContact O-N 3.43Å; E181-L184 WeakPolarHBondContact O-CB 3.48Å; E181-L184 PolarHBondContact O-N 3.25Å; E181-L184 VanDerWaalsContact O-N 3.1Å; E181-K216 IonicContact OE1-NZ 2.81Å; E181-K216 PolarHBondContact OE1-NZ 3.42Å; E181-K216 IonicContact OE2-NZ 3.38Å; E181-K216 PolarHBondContact OE2-NZ 3.26Å; E181-Q236 PolarHBondContact O-NE2 3Å |
| 182 | S | 95.9 | Very high | 94.2 | Very high | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.014 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.5 | -28.6 | -179 | 75.7 | 0 | 0 | 0 | 0 | 113.5 | L178 F179 I180 L184 Q236 L239 | L178-S182 PolarHBondContact O-N 3.41Å; F179-S182 WeakPolarHBondContact CA-OG 3.17Å; F179-S182 PolarHBondContact O-N 3.49Å; F179-S182 PolarHBondContact O-OG 2.84Å; I180-S182 VanDerWaalsContact C-N 3.3Å; I180-S182 PolarHBondContact O-N 3.29Å; S182-L184 PolarHBondContact O-N 3.01Å; S182-Q236 VanDerWaalsContact CA-CG 3.44Å; S182-L239 WeakPolarHBondContact O-CD1 3.48Å |
| 183 | M | 94.7 | Very high | 94 | Very high | 38 Ų | 38 | 41.3 Ų | 41.3 | 19% | 0.187 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | 6.8 | 178 | -64 | -60.9 | 99.7 | 0 | 0 | 113.6 | F179 I180 E181 G185 L186 P187 L235 L239 | F179-M183 HydrophobicContact CD1-CG 4.31Å; F179-M183 HydrophobicContact CE1-CG 3.91Å; F179-M183 HydrophobicContact CE2-CE 4.03Å; F179-M183 HydrophobicContact CE2-CG 4.41Å; F179-M183 HydrophobicContact CE2-SD 4.36Å; F179-M183 HydrophobicContact CZ-CE 4.28Å; F179-M183 HydrophobicContact CZ-CG 3.97Å; F179-M183 HydrophobicContact CZ-SD 4.01Å; F179-M183 WeakPolarHBondContact O-CG 3.49Å; F179-M183 PolarHBondContact O-N 3.16Å; I180-M183 PolarHBondContact O-N 3.24Å; E181-M183 PolarHBondContact O-N 3.43Å; M183-G185 VanDerWaalsContact C-N 3.31Å; M183-G185 PolarHBondContact O-N 3.43Å; M183-L186 WeakPolarHBondContact O-CB 3.14Å; M183-L186 PolarHBondContact O-N 2.93Å; M183-L186 VanDerWaalsContact O-N 3.17Å; M183-L186 HydrophobicContact SD-CB 4.39Å; M183-L186 HydrophobicContact SD-CD2 3.78Å; M183-P187 VanDerWaalsContact O-CD 3.25Å; M183-P187 WeakPolarHBondContact O-CD 3.34Å; M183-L235 HydrophobicContact CE-CD1 4.25Å; M183-L235 HydrophobicContact CE-CD2 3.35Å; M183-L235 HydrophobicContact CE-CG 3.71Å; M183-L239 HydrophobicContact CE-CD1 3.57Å; M183-L239 HydrophobicContact SD-CD1 4.4Å |
| 184 | L | 93.5 | Very high | 93.5 | Very high | 22 Ų | 22 | 49.3 Ų | 49.3 | 12% | 0.115 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -43.7 | 179.9 | -172.3 | 72.9 | 0 | 0 | 0 | 112.9 | Y35 V55 I58 L59 E181 S182 P187 W209 | Y35-L184 WeakPolarHBondContact OH-CD2 3.49Å; V55-L184 HydrophobicContact CB-CD1 4.38Å; V55-L184 HydrophobicContact CG1-CD1 3.93Å; I58-L184 HydrophobicContact CB-CD1 3.84Å; I58-L184 HydrophobicContact CD1-CD1 4.19Å; I58-L184 HydrophobicContact CG2-CB 4.35Å; I58-L184 HydrophobicContact CG2-CD1 3.68Å; L59-L184 HydrophobicContact CD1-CD1 4.11Å; L59-L184 HydrophobicContact CD1-CD2 4.26Å; L59-L184 HydrophobicContact CD2-CD1 4.16Å; L59-L184 HydrophobicContact CD2-CD2 4.1Å; L59-L184 HydrophobicContact CG-CD1 3.79Å; L59-L184 HydrophobicContact CG-CD2 4.36Å; E181-L184 WeakPolarHBondContact O-CB 3.48Å; E181-L184 PolarHBondContact O-N 3.25Å; E181-L184 VanDerWaalsContact O-N 3.1Å; S182-L184 PolarHBondContact O-N 3.01Å; L184-P187 WeakPolarHBondContact O-CD 3.14Å; L184-W209 HydrophobicContact CD2-CH2 4.33Å; L184-W209 HydrophobicContact CD2-CZ2 4Å |
| 185 | G | 91.1 | Very high | 93.1 | Very high | 3 Ų | 3 | 54 Ų | 54 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -75.7 | -22.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | M183 Q188 F189 I243 | M183-G185 VanDerWaalsContact C-N 3.31Å; M183-G185 PolarHBondContact O-N 3.43Å; G185-Q188 WeakPolarHBondContact O-CB 3.41Å; G185-Q188 PolarHBondContact O-N 2.88Å; G185-F189 PolarHBondContact O-N 3.47Å; G185-I243 WeakPolarHBondContact O-CD1 3.33Å |
| 186 | L | 93 | Very high | 92.8 | Very high | 65 Ų | 65 | 54.3 Ų | 54.3 | 34% | 0.34 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.8 | -44.6 | -170 | -175.2 | 68.1 | 0 | 0 | 0 | 113.7 | M183 Q188 F189 T190 L239 | M183-L186 WeakPolarHBondContact O-CB 3.14Å; M183-L186 PolarHBondContact O-N 2.93Å; M183-L186 VanDerWaalsContact O-N 3.17Å; M183-L186 HydrophobicContact SD-CB 4.39Å; M183-L186 HydrophobicContact SD-CD2 3.78Å; L186-Q188 PolarHBondContact O-N 3.43Å; L186-F189 HydrophobicContact CD1-CD1 4.3Å; L186-F189 WeakPolarHBondContact O-CB 3.46Å; L186-F189 PolarHBondContact O-N 3.03Å; L186-T190 WeakPolarHBondContact O-CB 3.49Å; L186-T190 PolarHBondContact O-N 3.04Å; L186-T190 PolarHBondContact O-OG1 3.25Å; L186-L239 HydrophobicContact CB-CD1 4.4Å; L186-L239 HydrophobicContact CB-CD2 4.5Å; L186-L239 HydrophobicContact CD1-CD2 3.93Å |
| 187 | P | 88.8 | Confident | 92.4 | Very high | 61 Ų | 61 | 53.5 Ų | 53.5 | 40% | 0.396 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -58.4 | -36 | 176.2 | -25.4 | 34.9 | 0 | 0 | 0 | 113.2 | F54 I58 M183 L184 K191 | F54-P187 HydrophobicContact CD1-CG 4.26Å; F54-P187 HydrophobicContact CE1-CG 4.24Å; I58-P187 HydrophobicContact CD1-CG 4.49Å; M183-P187 VanDerWaalsContact O-CD 3.25Å; M183-P187 WeakPolarHBondContact O-CD 3.34Å; L184-P187 WeakPolarHBondContact O-CD 3.14Å; P187-K191 VanDerWaalsContact O-CB 3.29Å; P187-K191 WeakPolarHBondContact O-CB 3.15Å; P187-K191 PolarHBondContact O-N 3.12Å |
| 188 | Q | 89.7 | Confident | 91.8 | Very high | 49 Ų | 49 | 54.6 Ų | 54.6 | 23% | 0.229 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -72.9 | -43.9 | 178.4 | -173.4 | 61.2 | 50 | 0 | 0 | 111.1 | G185 L186 T190 K191 N192 M201 I243 | G185-Q188 WeakPolarHBondContact O-CB 3.41Å; G185-Q188 PolarHBondContact O-N 2.88Å; L186-Q188 PolarHBondContact O-N 3.43Å; Q188-T190 VanDerWaalsContact C-N 3.32Å; Q188-T190 PolarHBondContact O-N 3.37Å; Q188-K191 PolarHBondContact O-N 3.43Å; Q188-N192 PolarHBondContact NE2-OD1 2.89Å; Q188-N192 WeakPolarHBondContact O-CB 3.49Å; Q188-N192 PolarHBondContact O-N 3.25Å; Q188-N192 PolarHBondContact O-ND2 3.19Å; Q188-N192 PolarHBondContact O-OD1 3.14Å; Q188-M201 HydrophobicContact CG-CG 4.28Å; Q188-M201 HydrophobicContact CG-SD 3.48Å; Q188-M201 WeakPolarHBondContact CG-SD 3.28Å; Q188-M201 PolarHBondContact NE2-SD 2.96Å; Q188-M201 VanDerWaalsContact NE2-SD 3.41Å; Q188-I243 HydrophobicContact CB-CD1 4.43Å |
| 189 | F | 92.7 | Very high | 91.2 | Very high | 60 Ų | 60 | 60 Ų | 60 | 26% | 0.263 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -53.9 | -50 | 173.4 | 173.2 | -94.6 | 0 | 0 | 0 | 111.6 | G185 L186 N192 F193 A242 I243 Q246 | G185-F189 PolarHBondContact O-N 3.47Å; L186-F189 HydrophobicContact CD1-CD1 4.3Å; L186-F189 WeakPolarHBondContact O-CB 3.46Å; L186-F189 PolarHBondContact O-N 3.03Å; F189-N192 PolarHBondContact O-N 3.14Å; F189-F193 WeakPolarHBondContact O-CB 3.41Å; F189-F193 PolarHBondContact O-N 3.12Å; F189-A242 HydrophobicContact CD2-CB 3.88Å; F189-A242 HydrophobicContact CE2-CB 3.75Å; F189-I243 HydrophobicContact CB-CD1 4.37Å; F189-I243 HydrophobicContact CB-CG1 3.8Å; F189-I243 HydrophobicContact CD2-CG1 4.37Å; F189-Q246 VanDerWaalsContact CD2-CD 3.48Å; F189-Q246 HydrophobicContact CD2-CG 4.44Å; F189-Q246 VanDerWaalsContact CD2-NE2 3.26Å; F189-Q246 HydrophobicContact CE2-CG 4.33Å; F189-Q246 PolarHBondContact O-NE2 3.5Å; F189-Q246 PolarHBondContact O-OE1 3.32Å |
| 190 | T | 89.7 | Confident | 90.2 | Very high | 52 Ų | 52 | 58.1 Ų | 58.1 | 32% | 0.319 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.9 | -45.2 | -179.7 | -60.4 | 0 | 0 | 0 | 0 | 111.1 | L186 Q188 N192 F193 Y194 | L186-T190 WeakPolarHBondContact O-CB 3.49Å; L186-T190 PolarHBondContact O-N 3.04Å; L186-T190 PolarHBondContact O-OG1 3.25Å; Q188-T190 VanDerWaalsContact C-N 3.32Å; Q188-T190 PolarHBondContact O-N 3.37Å; T190-N192 PolarHBondContact O-N 3.43Å; T190-F193 PolarHBondContact O-N 2.99Å; T190-Y194 HydrophobicContact CG2-CD2 3.55Å; T190-Y194 HydrophobicContact CG2-CE2 3.34Å; T190-Y194 WeakPolarHBondContact O-CD2 3.33Å; T190-Y194 PolarHBondContact O-N 3.29Å |
| 191 | K | 87.2 | Confident | 89.5 | Confident | 110 Ų | 110 | 57.3 Ų | 57.3 | 48% | 0.478 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.6 | -45.4 | 177.2 | -178 | -178.6 | 176 | -172.5 | 0 | 112.2 | P187 Q188 F193 N195 | P187-K191 VanDerWaalsContact O-CB 3.29Å; P187-K191 WeakPolarHBondContact O-CB 3.15Å; P187-K191 PolarHBondContact O-N 3.12Å; Q188-K191 PolarHBondContact O-N 3.43Å; K191-F193 VanDerWaalsContact C-N 3.32Å; K191-N195 WeakPolarHBondContact CG-ND2 3.49Å; K191-N195 VanDerWaalsContact O-CB 3.31Å; K191-N195 WeakPolarHBondContact O-CB 3.48Å; K191-N195 PolarHBondContact O-N 2.78Å; K191-N195 PolarHBondContact O-ND2 2.99Å |
| 192 | N | 90.5 | Very high | 89 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.7 | -41.5 | 176.9 | -69.3 | -10.9 | 0 | 0 | 0 | 111.1 | Q188 F189 T190 K196 Q246 Y250 | Q188-N192 PolarHBondContact NE2-OD1 2.89Å; Q188-N192 WeakPolarHBondContact O-CB 3.49Å; Q188-N192 PolarHBondContact O-N 3.25Å; Q188-N192 PolarHBondContact O-ND2 3.19Å; Q188-N192 PolarHBondContact O-OD1 3.14Å; F189-N192 PolarHBondContact O-N 3.14Å; T190-N192 PolarHBondContact O-N 3.43Å; N192-K196 WeakPolarHBondContact O-CA 3.48Å; N192-K196 PolarHBondContact O-N 3.44Å; N192-Q246 HydrophobicContact CB-CB 4.44Å; N192-Q246 PolarHBondContact ND2-OE1 3.18Å; N192-Q246 VanDerWaalsContact ND2-OE1 3.12Å; N192-Y250 HydrophobicContact CB-CE2 4.29Å; N192-Y250 WeakPolarHBondContact O-CE2 3.27Å |
| 193 | F | 91.8 | Very high | 88.5 | Confident | 104 Ų | 104 | 61.1 Ų | 61.1 | 46% | 0.456 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.9 | -44.4 | -179.7 | -175.4 | -95.9 | 0 | 0 | 0 | 112.8 | F189 T190 K191 K196 | F189-F193 WeakPolarHBondContact O-CB 3.41Å; F189-F193 PolarHBondContact O-N 3.12Å; T190-F193 PolarHBondContact O-N 2.99Å; K191-F193 VanDerWaalsContact C-N 3.32Å; F193-K196 VanDerWaalsContact O-CD 3.31Å; F193-K196 WeakPolarHBondContact O-CD 3.33Å; F193-K196 VanDerWaalsContact O-CE 3.23Å; F193-K196 WeakPolarHBondContact O-CE 3.34Å; F193-K196 PolarHBondContact O-NZ 3.26Å; F193-K196 VanDerWaalsContact O-NZ 3.1Å |
| 194 | Y | 88.9 | Confident | 88.2 | Confident | 179 Ų | 179 | 62.6 Ų | 62.6 | 70% | 0.702 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -71.5 | -43.5 | 178.7 | -79.3 | -66.9 | 0 | 0 | 0 | 112.5 | T190 K196 | T190-Y194 HydrophobicContact CG2-CD2 3.55Å; T190-Y194 HydrophobicContact CG2-CE2 3.34Å; T190-Y194 WeakPolarHBondContact O-CD2 3.33Å; T190-Y194 PolarHBondContact O-N 3.29Å; Y194-K196 VanDerWaalsContact C-N 3.3Å; Y194-K196 PolarHBondContact O-N 2.99Å |
| 195 | N | 88.2 | Confident | 88 | Confident | 98 Ų | 98 | 62 Ų | 62 | 52% | 0.524 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -81.9 | -10 | -176.3 | -65 | -21.8 | 0 | 0 | 0 | 113.5 | K191 S197 | K191-N195 WeakPolarHBondContact CG-ND2 3.49Å; K191-N195 VanDerWaalsContact O-CB 3.31Å; K191-N195 WeakPolarHBondContact O-CB 3.48Å; K191-N195 PolarHBondContact O-N 2.78Å; K191-N195 PolarHBondContact O-ND2 2.99Å; N195-S197 WeakPolarHBondContact O-CB 3.36Å; N195-S197 PolarHBondContact O-N 3.12Å; N195-S197 VanDerWaalsContact O-N 3.08Å |
| 196 | K | 90.2 | Very high | 88 | Confident | 95 Ų | 95 | 62 Ų | 62 | 41% | 0.413 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.2 | 36.8 | -170.6 | -56.8 | -60.1 | -177.7 | -163.6 | 0 | 112.4 | N192 F193 Y194 Y250 | N192-K196 WeakPolarHBondContact O-CA 3.48Å; N192-K196 PolarHBondContact O-N 3.44Å; F193-K196 VanDerWaalsContact O-CD 3.31Å; F193-K196 WeakPolarHBondContact O-CD 3.33Å; F193-K196 VanDerWaalsContact O-CE 3.23Å; F193-K196 WeakPolarHBondContact O-CE 3.34Å; F193-K196 PolarHBondContact O-NZ 3.26Å; F193-K196 VanDerWaalsContact O-NZ 3.1Å; Y194-K196 VanDerWaalsContact C-N 3.3Å; Y194-K196 PolarHBondContact O-N 2.99Å; K196-Y250 HydrophobicContact CB-CD1 4.47Å; K196-Y250 HydrophobicContact CB-CE1 4.25Å; K196-Y250 HydrophobicContact CD-CE1 3.69Å; K196-Y250 WeakPolarHBondContact CD-OH 3.17Å; K196-Y250 PolarHBondContact NZ-OH 2.8Å |
| 197 | S | 87.8 | Confident | 88 | Confident | 40 Ų | 40 | 63.4 Ų | 63.4 | 28% | 0.28 | 34% | 0.336 | S | S | . | . | trans | -154.9 | 141.3 | -172.3 | -176.3 | 0 | 0 | 0 | 0 | 111.1 | N195 V199 | N195-S197 WeakPolarHBondContact O-CB 3.36Å; N195-S197 PolarHBondContact O-N 3.12Å; N195-S197 VanDerWaalsContact O-N 3.08Å; S197-V199 VanDerWaalsContact OG-CG2 3.3Å; S197-V199 WeakPolarHBondContact OG-CG2 3.32Å; S197-V199 PolarHBondContact OG-N 3.34Å | ||
| 198 | I | 86 | Confident | 88.2 | Confident | 23 Ų | 23 | 62.8 Ų | 62.8 | 12% | 0.118 | 33% | 0.328 | C | S | . | . | trans | -102.1 | 9 | 174.2 | 58.8 | 171.9 | 0 | 0 | 0 | 112.7 | G200 M201 I203 C247 Y250 R251 | I198-G200 PolarHBondContact O-N 3.1Å; I198-M201 HydrophobicContact CB-CE 3.96Å; I198-M201 HydrophobicContact CG2-CE 3.82Å; I198-M201 WeakPolarHBondContact O-CB 3.44Å; I198-M201 PolarHBondContact O-N 3.47Å; I198-I203 HydrophobicContact CD1-CD1 4.12Å; I198-C247 HydrophobicContact CD1-CB 4.33Å; I198-Y250 HydrophobicContact CG2-CD2 4.19Å; I198-R251 HydrophobicContact CD1-CB 4.42Å | ||
| 199 | V | 83.3 | Confident | 88.4 | Confident | 119 Ų | 119 | 61.4 Ų | 61.4 | 72% | 0.721 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 126.1 | -176.3 | 171.9 | 0 | 0 | 0 | 0 | 110.8 | S197 | S197-V199 VanDerWaalsContact OG-CG2 3.3Å; S197-V199 WeakPolarHBondContact OG-CG2 3.32Å; S197-V199 PolarHBondContact OG-N 3.34Å |
| 200 | G | 77.3 | Confident | 88.5 | Confident | 43 Ų | 43 | 59.3 Ų | 59.3 | 44% | 0.443 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.8 | -0.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115 | G50 I198 | G50-G200 WeakPolarHBondContact CA-O 3.35Å; I198-G200 PolarHBondContact O-N 3.1Å |
| 201 | M | 83 | Confident | 88.7 | Confident | 28 Ų | 28 | 59.6 Ų | 59.6 | 14% | 0.138 | 32% | 0.317 | C | S | . | . | trans | -82.1 | 145.3 | 171.7 | -173.7 | 173.7 | 68.4 | 0 | 0 | 111.4 | Q188 I198 I203 V206 I243 C247 | Q188-M201 HydrophobicContact CG-CG 4.28Å; Q188-M201 HydrophobicContact CG-SD 3.48Å; Q188-M201 WeakPolarHBondContact CG-SD 3.28Å; Q188-M201 PolarHBondContact NE2-SD 2.96Å; Q188-M201 VanDerWaalsContact NE2-SD 3.41Å; I198-M201 HydrophobicContact CB-CE 3.96Å; I198-M201 HydrophobicContact CG2-CE 3.82Å; I198-M201 WeakPolarHBondContact O-CB 3.44Å; I198-M201 PolarHBondContact O-N 3.47Å; M201-I203 HydrophobicContact CE-CG1 4.25Å; M201-I203 PolarHBondContact O-N 3.12Å; M201-V206 HydrophobicContact CG-CG2 4.45Å; M201-V206 HydrophobicContact SD-CG2 4.17Å; M201-I243 HydrophobicContact CE-CG2 4.19Å; M201-I243 HydrophobicContact SD-CG2 3.91Å; M201-C247 WeakPolarHBondContact CE-SG 3.35Å | ||
| 202 | S | 85.1 | Confident | 88.9 | Confident | 23 Ų | 23 | 55.5 Ų | 55.5 | 16% | 0.161 | 31% | 0.306 | C | S | . | . | trans | -90.6 | 94.8 | 171.8 | -171.6 | 0 | 0 | 0 | 0 | 110.1 | S204 M205 V206 | S202-S204 PolarHBondContact O-N 2.74Å; S202-M205 VanDerWaalsContact O-CB 3.28Å; S202-M205 WeakPolarHBondContact O-CB 3.14Å; S202-M205 PolarHBondContact O-N 3.11Å; S202-V206 PolarHBondContact O-N 2.87Å | ||
| 203 | I | 87 | Confident | 89.1 | Confident | 70 Ų | 70 | 56.7 Ų | 56.7 | 36% | 0.359 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.4 | -39.7 | 179.6 | -60.7 | 166 | 0 | 0 | 0 | 111.1 | I198 M201 M205 V206 L207 | I198-I203 HydrophobicContact CD1-CD1 4.12Å; M201-I203 HydrophobicContact CE-CG1 4.25Å; M201-I203 PolarHBondContact O-N 3.12Å; I203-M205 PolarHBondContact O-N 3.34Å; I203-V206 PolarHBondContact O-N 3.46Å; I203-V206 VanDerWaalsContact O-N 3.16Å; I203-L207 HydrophobicContact CG2-CD1 4.22Å; I203-L207 HydrophobicContact CG2-CG 4.49Å; I203-L207 PolarHBondContact O-N 3.19Å |
| 204 | S | 87.8 | Confident | 89.2 | Confident | 69 Ų | 69 | 54.4 Ų | 54.4 | 48% | 0.483 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59 | -33.1 | 176.5 | 172.4 | 0 | 0 | 0 | 0 | 112.7 | S202 M208 | S202-S204 PolarHBondContact O-N 2.74Å; S204-M208 WeakPolarHBondContact O-CE 3.35Å; S204-M208 WeakPolarHBondContact O-CG 3.35Å; S204-M208 PolarHBondContact O-N 3.34Å |
| 205 | M | 88.4 | Confident | 89.3 | Confident | 11 Ų | 11 | 51.5 Ų | 51.5 | 5% | 0.054 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.9 | -46 | 176.3 | -171.1 | -178.6 | -173.6 | 0 | 0 | 111.4 | Y35 Q38 F51 S202 I203 L207 M208 W209 | Y35-M205 HydrophobicContact CD1-CE 3.34Å; Y35-M205 HydrophobicContact CE1-CE 3.28Å; Y35-M205 HydrophobicContact CG-CE 4.42Å; Q38-M205 HydrophobicContact CG-SD 4.42Å; F51-M205 HydrophobicContact CD2-CE 3.86Å; F51-M205 HydrophobicContact CD2-SD 4.22Å; F51-M205 HydrophobicContact CE2-CE 3.59Å; S202-M205 VanDerWaalsContact O-CB 3.28Å; S202-M205 WeakPolarHBondContact O-CB 3.14Å; S202-M205 PolarHBondContact O-N 3.11Å; I203-M205 PolarHBondContact O-N 3.34Å; M205-L207 VanDerWaalsContact C-N 3.34Å; M205-L207 PolarHBondContact O-N 2.92Å; M205-M208 PolarHBondContact O-N 3.47Å; M205-M208 VanDerWaalsContact O-N 3.17Å; M205-W209 HydrophobicContact CE-CH2 4.08Å; M205-W209 HydrophobicContact CE-CZ2 3.17Å; M205-W209 HydrophobicContact CG-CD2 4.41Å; M205-W209 HydrophobicContact CG-CZ2 4.14Å; M205-W209 PolarHBondContact O-N 3.28Å; M205-W209 HydrophobicContact SD-CH2 4.35Å; M205-W209 HydrophobicContact SD-CZ2 3.91Å |
| 206 | V | 91.2 | Very high | 89.4 | Confident | 3 Ų | 3 | 47.7 Ų | 47.7 | 2% | 0.018 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 178.3 | -176.3 | 0 | 0 | 0 | 0 | 110.5 | M201 S202 I203 M208 W209 T210 I243 L244 | M201-V206 HydrophobicContact CG-CG2 4.45Å; M201-V206 HydrophobicContact SD-CG2 4.17Å; S202-V206 PolarHBondContact O-N 2.87Å; I203-V206 PolarHBondContact O-N 3.46Å; I203-V206 VanDerWaalsContact O-N 3.16Å; V206-M208 VanDerWaalsContact C-N 3.28Å; V206-M208 PolarHBondContact O-N 3.43Å; V206-W209 HydrophobicContact CG2-CE3 4.4Å; V206-W209 WeakPolarHBondContact O-CB 3.38Å; V206-W209 PolarHBondContact O-N 2.84Å; V206-W209 VanDerWaalsContact O-N 3.13Å; V206-T210 PolarHBondContact O-N 3.44Å; V206-T210 PolarHBondContact O-OG1 3.06Å; V206-I243 HydrophobicContact CG1-CB 4.22Å; V206-I243 HydrophobicContact CG1-CG2 3.88Å; V206-I243 HydrophobicContact CG2-CG2 4.12Å; V206-L244 HydrophobicContact CB-CD2 4.25Å; V206-L244 HydrophobicContact CG1-CD2 3.8Å; V206-L244 HydrophobicContact CG1-CG 3.97Å |
| 207 | L | 93.5 | Very high | 89.6 | Confident | 93 Ų | 93 | 43.5 Ų | 43.5 | 49% | 0.487 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.4 | -38 | 175.8 | -72.8 | 169.7 | 0 | 0 | 0 | 113.1 | I203 M205 T210 S211 L244 | I203-L207 HydrophobicContact CG2-CD1 4.22Å; I203-L207 HydrophobicContact CG2-CG 4.49Å; I203-L207 PolarHBondContact O-N 3.19Å; M205-L207 VanDerWaalsContact C-N 3.34Å; M205-L207 PolarHBondContact O-N 2.92Å; L207-T210 PolarHBondContact O-N 3.46Å; L207-S211 WeakPolarHBondContact O-CB 3.26Å; L207-S211 PolarHBondContact O-N 3.46Å; L207-L244 HydrophobicContact CD2-CD1 3.91Å; L207-L244 HydrophobicContact CD2-CD2 3.69Å; L207-L244 HydrophobicContact CD2-CG 4.48Å; L207-L244 HydrophobicContact CG-CD2 3.99Å |
| 208 | M | 93 | Very high | 89.8 | Confident | 49 Ų | 49 | 45.5 Ų | 45.5 | 24% | 0.241 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -71.5 | -35.1 | 176.2 | -73 | -174.8 | -75.4 | 0 | 0 | 112.3 | P34 P37 S204 M205 V206 G212 | P34-M208 HydrophobicContact CB-CB 3.81Å; P34-M208 HydrophobicContact CG-CB 3.92Å; P37-M208 HydrophobicContact CB-CE 4.31Å; P37-M208 HydrophobicContact CG-CE 3.74Å; P37-M208 HydrophobicContact CG-SD 4.16Å; S204-M208 WeakPolarHBondContact O-CE 3.35Å; S204-M208 WeakPolarHBondContact O-CG 3.35Å; S204-M208 PolarHBondContact O-N 3.34Å; M205-M208 PolarHBondContact O-N 3.47Å; M205-M208 VanDerWaalsContact O-N 3.17Å; V206-M208 VanDerWaalsContact C-N 3.28Å; V206-M208 PolarHBondContact O-N 3.43Å; M208-G212 PolarHBondContact O-N 3.07Å |
| 209 | W | 93.3 | Very high | 89.8 | Confident | 20 Ų | 20 | 44.7 Ų | 44.7 | 8% | 0.076 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.4 | -50.2 | 169.7 | -67.8 | -22.8 | 0 | 0 | 0 | 110.6 | P34 Y35 V55 L184 M205 V206 S211 G212 D213 D240 | P34-W209 HydrophobicContact CB-CG 4.48Å; Y35-W209 AromaticContact CE1-CZ2 3.95Å; Y35-W209 HydrophobicContact CE1-CZ2 3.95Å; Y35-W209 AromaticContact CE1-NE1 3.66Å; Y35-W209 AromaticContact CZ-NE1 3.33Å; Y35-W209 VanDerWaalsContact CZ-NE1 3.33Å; Y35-W209 PolarHBondContact OH-NE1 3.38Å; V55-W209 HydrophobicContact CG1-CZ2 4.1Å; V55-W209 HydrophobicContact CG2-CH2 4.46Å; L184-W209 HydrophobicContact CD2-CH2 4.33Å; L184-W209 HydrophobicContact CD2-CZ2 4Å; M205-W209 HydrophobicContact CE-CH2 4.08Å; M205-W209 HydrophobicContact CE-CZ2 3.17Å; M205-W209 HydrophobicContact CG-CD2 4.41Å; M205-W209 HydrophobicContact CG-CZ2 4.14Å; M205-W209 PolarHBondContact O-N 3.28Å; M205-W209 HydrophobicContact SD-CH2 4.35Å; M205-W209 HydrophobicContact SD-CZ2 3.91Å; V206-W209 HydrophobicContact CG2-CE3 4.4Å; V206-W209 WeakPolarHBondContact O-CB 3.38Å; V206-W209 PolarHBondContact O-N 2.84Å; V206-W209 VanDerWaalsContact O-N 3.13Å; W209-S211 VanDerWaalsContact C-N 3.32Å; W209-S211 PolarHBondContact O-N 3.25Å; W209-G212 CarbonylContact O-C 3.43Å; W209-G212 WeakPolarHBondContact O-CA 3.3Å; W209-G212 PolarHBondContact O-N 3.35Å; W209-D213 PolarHBondContact O-N 2.94Å; W209-D240 VanDerWaalsContact CB-OD2 3.27Å; W209-D240 WeakPolarHBondContact CB-OD2 3.5Å |
| 210 | T | 94.9 | Very high | 90.1 | Very high | 15 Ų | 15 | 39.3 Ų | 39.3 | 9% | 0.092 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.5 | -43.5 | -175.4 | -47.5 | 0 | 0 | 0 | 0 | 111.2 | V206 L207 D213 V214 D240 L241 L244 | V206-T210 PolarHBondContact O-N 3.44Å; V206-T210 PolarHBondContact O-OG1 3.06Å; L207-T210 PolarHBondContact O-N 3.46Å; T210-D213 PolarHBondContact O-N 3.24Å; T210-V214 WeakPolarHBondContact O-CB 3.38Å; T210-V214 VanDerWaalsContact O-CG2 3.24Å; T210-V214 WeakPolarHBondContact O-CG2 3.22Å; T210-V214 PolarHBondContact O-N 3.23Å; T210-D240 WeakPolarHBondContact CA-OD2 3.29Å; T210-D240 WeakPolarHBondContact CB-OD2 3.33Å; T210-D240 HydrophobicContact CG2-CB 4.09Å; T210-D240 PolarHBondContact N-OD2 2.93Å; T210-D240 VanDerWaalsContact OG1-CB 3.31Å; T210-D240 WeakPolarHBondContact OG1-CB 3.42Å; T210-D240 PolarHBondContact OG1-OD2 3.44Å; T210-L241 HydrophobicContact CG2-CD2 4.29Å; T210-L244 HydrophobicContact CG2-CD1 4.22Å |
| 211 | S | 94.5 | Very high | 90.8 | Very high | 59 Ų | 59 | 42 Ų | 42 | 41% | 0.413 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -58.8 | -49.6 | 173.7 | -177.5 | 0 | 0 | 0 | 0 | 111.2 | L207 W209 D213 V214 F215 | L207-S211 WeakPolarHBondContact O-CB 3.26Å; L207-S211 PolarHBondContact O-N 3.46Å; W209-S211 VanDerWaalsContact C-N 3.32Å; W209-S211 PolarHBondContact O-N 3.25Å; S211-D213 PolarHBondContact O-N 3.02Å; S211-V214 PolarHBondContact O-N 3.31Å; S211-F215 WeakPolarHBondContact O-CD2 3.38Å; S211-F215 PolarHBondContact O-N 2.94Å; S211-F215 WeakPolarHBondContact OG-CE2 3.37Å |
| 212 | G | 92.2 | Very high | 91.1 | Very high | 24 Ų | 24 | 46.4 Ų | 46.4 | 25% | 0.247 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.6 | -46.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | M208 W209 F215 K216 | M208-G212 PolarHBondContact O-N 3.07Å; W209-G212 CarbonylContact O-C 3.43Å; W209-G212 WeakPolarHBondContact O-CA 3.3Å; W209-G212 PolarHBondContact O-N 3.35Å; G212-F215 PolarHBondContact O-N 3.42Å; G212-K216 VanDerWaalsContact O-CB 3.24Å; G212-K216 WeakPolarHBondContact O-CB 3.28Å; G212-K216 PolarHBondContact O-N 2.99Å |
| 213 | D | 93.8 | Very high | 91 | Very high | 26 Ų | 26 | 48.2 Ų | 48.2 | 14% | 0.139 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -70.7 | -34.6 | -177 | -66.2 | -21.1 | 0 | 0 | 0 | 112 | W209 T210 S211 T217 Q236 I237 | W209-D213 PolarHBondContact O-N 2.94Å; T210-D213 PolarHBondContact O-N 3.24Å; S211-D213 PolarHBondContact O-N 3.02Å; D213-T217 VanDerWaalsContact O-CB 3.27Å; D213-T217 WeakPolarHBondContact O-CB 3.28Å; D213-T217 PolarHBondContact O-N 3.07Å; D213-T217 PolarHBondContact O-OG1 2.9Å; D213-Q236 HydrophobicContact CB-CB 4.07Å; D213-Q236 PolarHBondContact OD1-OE1 3.47Å; D213-I237 HydrophobicContact CB-CG1 3.99Å |
| 214 | V | 94.6 | Very high | 91 | Very high | 56 Ų | 56 | 51.9 Ų | 51.9 | 34% | 0.339 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.7 | -53.8 | 169.9 | 169.5 | 0 | 0 | 0 | 0 | 110.5 | T210 S211 K216 T217 I218 I237 | T210-V214 WeakPolarHBondContact O-CB 3.38Å; T210-V214 VanDerWaalsContact O-CG2 3.24Å; T210-V214 WeakPolarHBondContact O-CG2 3.22Å; T210-V214 PolarHBondContact O-N 3.23Å; S211-V214 PolarHBondContact O-N 3.31Å; V214-K216 VanDerWaalsContact C-N 3.3Å; V214-K216 PolarHBondContact O-N 3.02Å; V214-T217 PolarHBondContact O-N 3.34Å; V214-I218 HydrophobicContact CG1-CD1 4.03Å; V214-I218 WeakPolarHBondContact O-CG1 3.46Å; V214-I218 PolarHBondContact O-N 2.8Å; V214-I237 HydrophobicContact CB-CD1 4.49Å; V214-I237 HydrophobicContact CG2-CD1 3.96Å; V214-I237 HydrophobicContact CG2-CG1 3.98Å; V214-I237 HydrophobicContact CG2-CG2 4.2Å |
| 215 | F | 91.1 | Very high | 90.9 | Very high | 117 Ų | 117 | 49.3 Ų | 49.3 | 51% | 0.513 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59.5 | -42.1 | 179.1 | -79.4 | -64.3 | 0 | 0 | 0 | 112 | S211 G212 I218 Y219 | S211-F215 WeakPolarHBondContact O-CD2 3.38Å; S211-F215 PolarHBondContact O-N 2.94Å; S211-F215 WeakPolarHBondContact OG-CE2 3.37Å; G212-F215 PolarHBondContact O-N 3.42Å; F215-I218 PolarHBondContact O-N 2.86Å; F215-Y219 PolarHBondContact O-N 3.28Å |
| 216 | K | 90.2 | Very high | 90.8 | Very high | 19 Ų | 19 | 50.4 Ų | 50.4 | 8% | 0.083 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.5 | -41.5 | 178.7 | -160 | -167 | -165.6 | -172.9 | 0 | 111.8 | R66 E181 G212 V214 Y219 F220 | R66-K216 VanDerWaalsContact NH1-NZ 3.16Å; E181-K216 IonicContact OE1-NZ 2.81Å; E181-K216 PolarHBondContact OE1-NZ 3.42Å; E181-K216 IonicContact OE2-NZ 3.38Å; E181-K216 PolarHBondContact OE2-NZ 3.26Å; G212-K216 VanDerWaalsContact O-CB 3.24Å; G212-K216 WeakPolarHBondContact O-CB 3.28Å; G212-K216 PolarHBondContact O-N 2.99Å; V214-K216 VanDerWaalsContact C-N 3.3Å; V214-K216 PolarHBondContact O-N 3.02Å; K216-Y219 WeakPolarHBondContact O-CB 3.3Å; K216-Y219 PolarHBondContact O-N 3Å; K216-F220 HydrophobicContact CD-CE1 4.38Å; K216-F220 HydrophobicContact CD-CE2 4.06Å; K216-F220 HydrophobicContact CD-CZ 3.55Å; K216-F220 HydrophobicContact CG-CE1 3.87Å; K216-F220 HydrophobicContact CG-CE2 3.94Å; K216-F220 HydrophobicContact CG-CZ 3.43Å; K216-F220 VanDerWaalsContact CG-CZ 3.43Å; K216-F220 WeakPolarHBondContact O-CD1 3.34Å; K216-F220 WeakPolarHBondContact O-CD2 3.29Å; K216-F220 VanDerWaalsContact O-CG 3.24Å; K216-F220 WeakPolarHBondContact O-CG 3.44Å; K216-F220 PolarHBondContact O-N 2.76Å |
| 217 | T | 93 | Very high | 90.8 | Very high | 7 Ų | 7 | 56.5 Ų | 56.5 | 4% | 0.043 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.5 | -39.5 | 179 | -58.1 | 0 | 0 | 0 | 0 | 111.6 | D213 V214 Y219 F220 I221 L230 G233 L234 I237 | D213-T217 VanDerWaalsContact O-CB 3.27Å; D213-T217 WeakPolarHBondContact O-CB 3.28Å; D213-T217 PolarHBondContact O-N 3.07Å; D213-T217 PolarHBondContact O-OG1 2.9Å; V214-T217 PolarHBondContact O-N 3.34Å; T217-Y219 VanDerWaalsContact C-N 3.29Å; T217-Y219 PolarHBondContact O-N 3.44Å; T217-F220 PolarHBondContact O-N 3.3Å; T217-I221 WeakPolarHBondContact O-CG1 3.42Å; T217-I221 PolarHBondContact O-N 2.87Å; T217-L230 HydrophobicContact CG2-CD1 3.81Å; T217-G233 WeakPolarHBondContact OG1-CA 3.34Å; T217-L234 HydrophobicContact CG2-CD2 4.18Å; T217-L234 HydrophobicContact CG2-CG 4.39Å; T217-I237 HydrophobicContact CG2-CD1 4.18Å; T217-I237 WeakPolarHBondContact OG1-CD1 3.28Å |
| 218 | I | 91.9 | Very high | 90.8 | Very high | 82 Ų | 82 | 52.7 Ų | 52.7 | 42% | 0.421 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59.3 | -44 | 172.3 | -65.8 | 170.6 | 0 | 0 | 0 | 110.1 | V214 F215 F220 I221 L222 | V214-I218 HydrophobicContact CG1-CD1 4.03Å; V214-I218 WeakPolarHBondContact O-CG1 3.46Å; V214-I218 PolarHBondContact O-N 2.8Å; F215-I218 PolarHBondContact O-N 2.86Å; I218-F220 VanDerWaalsContact C-N 3.34Å; I218-F220 PolarHBondContact O-N 3.46Å; I218-I221 WeakPolarHBondContact O-CB 3.49Å; I218-I221 PolarHBondContact O-N 3.44Å; I218-I221 VanDerWaalsContact O-N 3.16Å; I218-L222 HydrophobicContact CG2-CD1 4.02Å; I218-L222 HydrophobicContact CG2-CG 4.36Å; I218-L222 WeakPolarHBondContact O-CG 3.41Å; I218-L222 PolarHBondContact O-N 2.89Å |
| 219 | Y | 87.1 | Confident | 90.7 | Very high | 6 Ų | 6 | 50.4 Ų | 50.4 | 2% | 0.024 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.2 | -41.4 | 177.1 | -174.3 | -118.4 | 0 | 0 | 0 | 113.3 | Y27 L79 F215 K216 T217 I221 L222 E223 | Y27-Y219 HydrophobicContact CD1-CD1 4.34Å; Y27-Y219 HydrophobicContact CD1-CG 4.07Å; Y27-Y219 AromaticContact CD2-CD1 3.82Å; Y27-Y219 HydrophobicContact CD2-CD1 3.82Å; Y27-Y219 AromaticContact CD2-CD2 3.47Å; Y27-Y219 HydrophobicContact CD2-CD2 3.47Å; Y27-Y219 VanDerWaalsContact CD2-CD2 3.47Å; Y27-Y219 AromaticContact CD2-CE1 3.87Å; Y27-Y219 HydrophobicContact CD2-CE1 3.87Å; Y27-Y219 AromaticContact CD2-CE2 3.5Å; Y27-Y219 HydrophobicContact CD2-CE2 3.5Å; Y27-Y219 AromaticContact CD2-CG 3.6Å; Y27-Y219 HydrophobicContact CD2-CG 3.6Å; Y27-Y219 AromaticContact CD2-CZ 3.71Å; Y27-Y219 VanDerWaalsContact CE1-CB 3.5Å; Y27-Y219 HydrophobicContact CE1-CD2 4.18Å; Y27-Y219 AromaticContact CE1-CG 3.84Å; Y27-Y219 HydrophobicContact CE1-CG 3.84Å; Y27-Y219 HydrophobicContact CE2-CD1 4.07Å; Y27-Y219 AromaticContact CE2-CD2 2.91Å; Y27-Y219 HydrophobicContact CE2-CD2 2.91Å; Y27-Y219 HydrophobicContact CE2-CE1 4.34Å; Y27-Y219 AromaticContact CE2-CE2 3.26Å; Y27-Y219 HydrophobicContact CE2-CE2 3.26Å; Y27-Y219 AromaticContact CE2-CG 3.36Å; Y27-Y219 HydrophobicContact CE2-CG 3.36Å; Y27-Y219 AromaticContact CE2-CZ 3.98Å; Y27-Y219 AromaticContact CG-CD1 4Å; Y27-Y219 HydrophobicContact CG-CD1 4Å; Y27-Y219 HydrophobicContact CG-CD2 4.3Å; Y27-Y219 HydrophobicContact CG-CE1 4.29Å; Y27-Y219 AromaticContact CG-CG 3.98Å; Y27-Y219 HydrophobicContact CG-CG 3.98Å; Y27-Y219 VanDerWaalsContact CZ-CB 3.44Å; Y27-Y219 AromaticContact CZ-CD2 3.35Å; Y27-Y219 AromaticContact CZ-CG 3.49Å; Y27-Y219 VanDerWaalsContact CZ-CG 3.49Å; L79-Y219 HydrophobicContact CD1-CE1 4.33Å; L79-Y219 HydrophobicContact CD2-CD1 4.27Å; L79-Y219 HydrophobicContact CD2-CE1 4.29Å; L79-Y219 HydrophobicContact CG-CD1 4.5Å; L79-Y219 HydrophobicContact CG-CE1 4.12Å; F215-Y219 PolarHBondContact O-N 3.28Å; K216-Y219 WeakPolarHBondContact O-CB 3.3Å; K216-Y219 PolarHBondContact O-N 3Å; T217-Y219 VanDerWaalsContact C-N 3.29Å; T217-Y219 PolarHBondContact O-N 3.44Å; Y219-I221 PolarHBondContact O-N 3.19Å; Y219-L222 PolarHBondContact O-N 3.19Å; Y219-L222 VanDerWaalsContact O-N 3.16Å; Y219-E223 HydrophobicContact CD1-CG 4.17Å; Y219-E223 HydrophobicContact CD2-CG 3.76Å; Y219-E223 HydrophobicContact CE1-CG 3.72Å; Y219-E223 HydrophobicContact CE2-CG 3.28Å; Y219-E223 WeakPolarHBondContact CE2-OE1 3.43Å; Y219-E223 HydrophobicContact CG-CG 4.2Å; Y219-E223 VanDerWaalsContact CZ-OE1 3.25Å; Y219-E223 WeakPolarHBondContact O-CB 3.34Å; Y219-E223 PolarHBondContact O-N 3.29Å; Y219-E223 WeakPolarHBondContact OH-CG 3.15Å; Y219-E223 PolarHBondContact OH-OE1 3.31Å |
| 220 | F | 90.1 | Very high | 90.8 | Very high | 6 Ų | 6 | 52 Ų | 52 | 3% | 0.026 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.6 | -36.8 | 176.6 | -60.2 | -29.3 | 0 | 0 | 0 | 112.7 | L79 K216 T217 I218 N224 A225 F229 | L79-F220 HydrophobicContact CD1-CD1 4.05Å; L79-F220 HydrophobicContact CD1-CE1 3.67Å; L79-F220 HydrophobicContact CD2-CE1 3.67Å; L79-F220 HydrophobicContact CD2-CZ 4.49Å; L79-F220 HydrophobicContact CG-CE1 4.32Å; K216-F220 HydrophobicContact CD-CE1 4.38Å; K216-F220 HydrophobicContact CD-CE2 4.06Å; K216-F220 HydrophobicContact CD-CZ 3.55Å; K216-F220 HydrophobicContact CG-CE1 3.87Å; K216-F220 HydrophobicContact CG-CE2 3.94Å; K216-F220 HydrophobicContact CG-CZ 3.43Å; K216-F220 VanDerWaalsContact CG-CZ 3.43Å; K216-F220 WeakPolarHBondContact O-CD1 3.34Å; K216-F220 WeakPolarHBondContact O-CD2 3.29Å; K216-F220 VanDerWaalsContact O-CG 3.24Å; K216-F220 WeakPolarHBondContact O-CG 3.44Å; K216-F220 PolarHBondContact O-N 2.76Å; T217-F220 PolarHBondContact O-N 3.3Å; I218-F220 VanDerWaalsContact C-N 3.34Å; I218-F220 PolarHBondContact O-N 3.46Å; F220-N224 PolarHBondContact O-N 3.03Å; F220-A225 HydrophobicContact CB-CB 3.99Å; F220-A225 HydrophobicContact CD1-CB 4.22Å; F220-A225 HydrophobicContact CG-CB 4.4Å; F220-A225 PolarHBondContact O-N 3.43Å; F220-F229 HydrophobicContact CB-CB 4.28Å; F220-F229 HydrophobicContact CD1-CB 4.13Å; F220-F229 HydrophobicContact CD1-CD1 4.02Å; F220-F229 HydrophobicContact CD1-CG 4.41Å; F220-F229 HydrophobicContact CD2-CB 3.75Å; F220-F229 WeakPolarHBondContact CD2-O 3.02Å; F220-F229 HydrophobicContact CE1-CB 4.34Å; F220-F229 AromaticContact CE1-CD1 3.51Å; F220-F229 HydrophobicContact CE1-CD1 3.51Å; F220-F229 HydrophobicContact CE1-CE1 4.22Å; F220-F229 HydrophobicContact CE1-CG 4.32Å; F220-F229 HydrophobicContact CE2-CB 3.99Å; F220-F229 HydrophobicContact CE2-CD1 4.09Å; F220-F229 HydrophobicContact CG-CB 3.81Å; F220-F229 HydrophobicContact CG-CD1 4.49Å; F220-F229 HydrophobicContact CZ-CB 4.26Å; F220-F229 AromaticContact CZ-CD1 3.53Å; F220-F229 HydrophobicContact CZ-CD1 3.53Å; F220-F229 HydrophobicContact CZ-CE1 4.39Å; F220-F229 HydrophobicContact CZ-CG 4.38Å |
| 221 | I | 91 | Very high | 90.8 | Very high | 99 Ų | 99 | 56.8 Ų | 56.8 | 51% | 0.508 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -68 | -46.8 | 175.8 | -61.9 | 167.4 | 0 | 0 | 0 | 109.8 | T217 I218 Y219 E223 N224 L230 | T217-I221 WeakPolarHBondContact O-CG1 3.42Å; T217-I221 PolarHBondContact O-N 2.87Å; I218-I221 WeakPolarHBondContact O-CB 3.49Å; I218-I221 PolarHBondContact O-N 3.44Å; I218-I221 VanDerWaalsContact O-N 3.16Å; Y219-I221 PolarHBondContact O-N 3.19Å; I221-E223 PolarHBondContact O-N 3Å; I221-N224 PolarHBondContact O-N 3.48Å; I221-L230 HydrophobicContact CD1-CD1 4.01Å; I221-L230 HydrophobicContact CG1-CD1 3.79Å |
| 222 | L | 88.8 | Confident | 90.9 | Very high | 121 Ų | 121 | 54.1 Ų | 54.1 | 63% | 0.634 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -63.8 | -39 | -178.9 | -65.9 | 175.9 | 0 | 0 | 0 | 112.8 | I218 Y219 N224 | I218-L222 HydrophobicContact CG2-CD1 4.02Å; I218-L222 HydrophobicContact CG2-CG 4.36Å; I218-L222 WeakPolarHBondContact O-CG 3.41Å; I218-L222 PolarHBondContact O-N 2.89Å; Y219-L222 PolarHBondContact O-N 3.19Å; Y219-L222 VanDerWaalsContact O-N 3.16Å; L222-N224 VanDerWaalsContact C-N 3.31Å |
| 223 | E | 84.9 | Confident | 91.1 | Very high | 60 Ų | 60 | 53 Ų | 53 | 28% | 0.28 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 3.4 | 179.4 | -67.2 | -70.6 | 175.2 | 0 | 0 | 113.8 | P76 Y219 I221 A225 | P76-E223 HydrophobicContact CG-CB 4.12Å; P76-E223 HydrophobicContact CG-CG 4.42Å; Y219-E223 HydrophobicContact CD1-CG 4.17Å; Y219-E223 HydrophobicContact CD2-CG 3.76Å; Y219-E223 HydrophobicContact CE1-CG 3.72Å; Y219-E223 HydrophobicContact CE2-CG 3.28Å; Y219-E223 WeakPolarHBondContact CE2-OE1 3.43Å; Y219-E223 HydrophobicContact CG-CG 4.2Å; Y219-E223 VanDerWaalsContact CZ-OE1 3.25Å; Y219-E223 WeakPolarHBondContact O-CB 3.34Å; Y219-E223 PolarHBondContact O-N 3.29Å; Y219-E223 WeakPolarHBondContact OH-CG 3.15Å; Y219-E223 PolarHBondContact OH-OE1 3.31Å; I221-E223 PolarHBondContact O-N 3Å; E223-A225 PolarHBondContact O-N 3.07Å |
| 224 | N | 86.2 | Confident | 91.2 | Very high | 147 Ų | 147 | 56.4 Ų | 56.4 | 79% | 0.786 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 43.6 | -173.5 | -61.4 | -78.2 | 0 | 0 | 0 | 112.5 | F220 I221 L222 | F220-N224 PolarHBondContact O-N 3.03Å; I221-N224 PolarHBondContact O-N 3.48Å; L222-N224 VanDerWaalsContact C-N 3.31Å |
| 225 | A | 85.6 | Confident | 91.4 | Very high | 16 Ų | 16 | 57 Ų | 57 | 13% | 0.132 | 29% | 0.294 | C | S | . | . | trans | -61.7 | 154.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | F220 E223 L227 F229 | F220-A225 HydrophobicContact CB-CB 3.99Å; F220-A225 HydrophobicContact CD1-CB 4.22Å; F220-A225 HydrophobicContact CG-CB 4.4Å; F220-A225 PolarHBondContact O-N 3.43Å; E223-A225 PolarHBondContact O-N 3.07Å; A225-L227 PolarHBondContact O-N 3.13Å; A225-F229 HydrophobicContact CB-CB 4.07Å; A225-F229 HydrophobicContact CB-CD2 4.3Å; A225-F229 HydrophobicContact CB-CG 4.19Å | ||
| 226 | P | 87.1 | Confident | 91.6 | Very high | 33 Ų | 33 | 52 Ų | 52 | 21% | 0.214 | 27% | 0.272 | C | S | . | . | trans | -51.5 | 142.4 | 179 | -26.7 | 33.6 | 0 | 0 | 0 | 112.4 | Q228 F229 | P226-Q228 HydrophobicContact CB-CG 4.03Å; P226-Q228 PolarHBondContact O-N 2.89Å; P226-F229 HydrophobicContact CB-CD2 4.06Å; P226-F229 HydrophobicContact CB-CE2 4.4Å; P226-F229 HydrophobicContact CG-CD2 4.16Å; P226-F229 HydrophobicContact CG-CE2 4.14Å; P226-F229 WeakPolarHBondContact O-CB 3.5Å; P226-F229 PolarHBondContact O-N 3.23Å | ||
| 227 | L | 90.5 | Very high | 92 | Very high | 131 Ų | 131 | 52.4 Ų | 52.4 | 69% | 0.686 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -48.2 | -36.4 | -171.6 | -169.5 | 99.4 | 0 | 0 | 0 | 114.2 | A225 F229 L230 M231 | A225-L227 PolarHBondContact O-N 3.13Å; L227-F229 PolarHBondContact O-N 3.29Å; L227-L230 PolarHBondContact O-N 3.13Å; L227-L230 VanDerWaalsContact O-N 3.1Å; L227-M231 HydrophobicContact CD2-CG 4.17Å; L227-M231 HydrophobicContact CG-CG 4.22Å; L227-M231 WeakPolarHBondContact O-CG 3.3Å; L227-M231 PolarHBondContact O-N 3.18Å |
| 228 | Q | 92.9 | Very high | 92.2 | Very high | 14 Ų | 14 | 53.9 Ų | 53.9 | 7% | 0.065 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -54.7 | -32.7 | 175.9 | 56.3 | -168 | 14.8 | 0 | 0 | 114.2 | Q171 F175 L178 P226 C232 | Q171-Q228 PolarHBondContact O-OE1 3.36Å; F175-Q228 VanDerWaalsContact N-OE1 3.16Å; L178-Q228 HydrophobicContact CD1-CB 4.07Å; L178-Q228 HydrophobicContact CD1-CG 3.73Å; P226-Q228 HydrophobicContact CB-CG 4.03Å; P226-Q228 PolarHBondContact O-N 2.89Å; Q228-C232 WeakPolarHBondContact O-CB 3.31Å; Q228-C232 PolarHBondContact O-N 2.89Å; Q228-C232 VanDerWaalsContact O-N 3.1Å; Q228-C232 PolarHBondContact O-SG 2.94Å |
| 229 | F | 91.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.4 | -45.3 | 175 | -76.2 | -95.2 | 0 | 0 | 0 | 111.6 | F69 F75 L79 L178 F220 A225 P226 L227 G233 | F69-F229 HydrophobicContact CE1-CE2 4.27Å; F75-F229 HydrophobicContact CB-CE2 4.4Å; F75-F229 HydrophobicContact CB-CZ 4.26Å; F75-F229 HydrophobicContact CD1-CE2 4.45Å; F75-F229 AromaticContact CD1-CZ 3.95Å; F75-F229 HydrophobicContact CD1-CZ 3.95Å; F75-F229 HydrophobicContact CD2-CZ 4.13Å; F75-F229 HydrophobicContact CE1-CZ 4.35Å; F75-F229 HydrophobicContact CG-CE2 4.39Å; F75-F229 AromaticContact CG-CZ 3.84Å; F75-F229 HydrophobicContact CG-CZ 3.84Å; L79-F229 HydrophobicContact CD1-CD1 4.46Å; L79-F229 HydrophobicContact CD1-CE1 4.08Å; L178-F229 HydrophobicContact CD1-CB 4.37Å; L178-F229 HydrophobicContact CD1-CD1 3.89Å; L178-F229 HydrophobicContact CD1-CD2 3.69Å; L178-F229 HydrophobicContact CD1-CE1 4.09Å; L178-F229 HydrophobicContact CD1-CE2 3.88Å; L178-F229 HydrophobicContact CD1-CG 3.7Å; L178-F229 HydrophobicContact CD1-CZ 4.08Å; L178-F229 HydrophobicContact CD2-CD1 3.68Å; L178-F229 HydrophobicContact CD2-CE1 3.67Å; L178-F229 HydrophobicContact CD2-CG 4.34Å; L178-F229 HydrophobicContact CD2-CZ 4.29Å; L178-F229 HydrophobicContact CG-CD1 4.45Å; L178-F229 HydrophobicContact CG-CE1 4.45Å; F220-F229 HydrophobicContact CB-CB 4.28Å; F220-F229 HydrophobicContact CD1-CB 4.13Å; F220-F229 HydrophobicContact CD1-CD1 4.02Å; F220-F229 HydrophobicContact CD1-CG 4.41Å; F220-F229 HydrophobicContact CD2-CB 3.75Å; F220-F229 WeakPolarHBondContact CD2-O 3.02Å; F220-F229 HydrophobicContact CE1-CB 4.34Å; F220-F229 AromaticContact CE1-CD1 3.51Å; F220-F229 HydrophobicContact CE1-CD1 3.51Å; F220-F229 HydrophobicContact CE1-CE1 4.22Å; F220-F229 HydrophobicContact CE1-CG 4.32Å; F220-F229 HydrophobicContact CE2-CB 3.99Å; F220-F229 HydrophobicContact CE2-CD1 4.09Å; F220-F229 HydrophobicContact CG-CB 3.81Å; F220-F229 HydrophobicContact CG-CD1 4.49Å; F220-F229 HydrophobicContact CZ-CB 4.26Å; F220-F229 AromaticContact CZ-CD1 3.53Å; F220-F229 HydrophobicContact CZ-CD1 3.53Å; F220-F229 HydrophobicContact CZ-CE1 4.39Å; F220-F229 HydrophobicContact CZ-CG 4.38Å; A225-F229 HydrophobicContact CB-CB 4.07Å; A225-F229 HydrophobicContact CB-CD2 4.3Å; A225-F229 HydrophobicContact CB-CG 4.19Å; P226-F229 HydrophobicContact CB-CD2 4.06Å; P226-F229 HydrophobicContact CB-CE2 4.4Å; P226-F229 HydrophobicContact CG-CD2 4.16Å; P226-F229 HydrophobicContact CG-CE2 4.14Å; P226-F229 WeakPolarHBondContact O-CB 3.5Å; P226-F229 PolarHBondContact O-N 3.23Å; L227-F229 PolarHBondContact O-N 3.29Å; F229-G233 PolarHBondContact O-N 3.46Å |
| 230 | L | 94.6 | Very high | 92.9 | Very high | 55 Ų | 55 | 51 Ų | 51 | 29% | 0.288 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.7 | -48.4 | 178.1 | 179.6 | 60 | 0 | 0 | 0 | 111.3 | T217 I221 L227 C232 G233 L234 | T217-L230 HydrophobicContact CG2-CD1 3.81Å; I221-L230 HydrophobicContact CD1-CD1 4.01Å; I221-L230 HydrophobicContact CG1-CD1 3.79Å; L227-L230 PolarHBondContact O-N 3.13Å; L227-L230 VanDerWaalsContact O-N 3.1Å; L230-C232 PolarHBondContact O-N 3.23Å; L230-G233 PolarHBondContact O-N 3.31Å; L230-L234 HydrophobicContact CD1-CD1 4.19Å; L230-L234 HydrophobicContact CD1-CG 4.2Å; L230-L234 HydrophobicContact CG-CD1 4.26Å; L230-L234 WeakPolarHBondContact O-CG 3.33Å; L230-L234 PolarHBondContact O-N 3.21Å |
| 231 | M | 95.5 | Very high | 93.2 | Very high | 114 Ų | 114 | 55.3 Ų | 55.3 | 56% | 0.562 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -59.3 | -46.5 | -179.7 | -69.7 | -66.7 | -71.5 | 0 | 0 | 111.9 | L227 L235 | L227-M231 HydrophobicContact CD2-CG 4.17Å; L227-M231 HydrophobicContact CG-CG 4.22Å; L227-M231 WeakPolarHBondContact O-CG 3.3Å; L227-M231 PolarHBondContact O-N 3.18Å; M231-L235 WeakPolarHBondContact O-CB 3.39Å; M231-L235 PolarHBondContact O-N 3.22Å; M231-L235 VanDerWaalsContact O-N 3.14Å |
| 232 | C | 96.6 | Very high | 93.5 | Very high | 4 Ų | 4 | 52 Ų | 52 | 3% | 0.027 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -71.8 | -33.5 | 178.9 | -64.3 | 0 | 0 | 0 | 0 | 112.3 | L178 Q228 L230 L235 Q236 | L178-C232 HydrophobicContact CB-CB 3.83Å; Q228-C232 WeakPolarHBondContact O-CB 3.31Å; Q228-C232 PolarHBondContact O-N 2.89Å; Q228-C232 VanDerWaalsContact O-N 3.1Å; Q228-C232 PolarHBondContact O-SG 2.94Å; L230-C232 PolarHBondContact O-N 3.23Å; C232-L235 PolarHBondContact O-N 2.88Å; C232-Q236 WeakPolarHBondContact O-CG 3.49Å; C232-Q236 PolarHBondContact O-N 3.45Å |
| 233 | G | 95.8 | Very high | 93.8 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.8 | -43.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | T217 F229 L230 L235 Q236 I237 | T217-G233 WeakPolarHBondContact OG1-CA 3.34Å; F229-G233 PolarHBondContact O-N 3.46Å; L230-G233 PolarHBondContact O-N 3.31Å; G233-L235 VanDerWaalsContact C-N 3.31Å; G233-L235 PolarHBondContact O-N 3.34Å; G233-Q236 WeakPolarHBondContact O-CB 3.29Å; G233-Q236 PolarHBondContact O-N 3.01Å; G233-I237 WeakPolarHBondContact O-CG1 3.24Å; G233-I237 PolarHBondContact O-N 3.43Å |
| 234 | L | 97.1 | Very high | 94.3 | Very high | 97 Ų | 97 | 44.8 Ų | 44.8 | 51% | 0.508 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.4 | -38 | 173.4 | -68.3 | 174.5 | 0 | 0 | 0 | 112.1 | T217 L230 I237 G238 | T217-L234 HydrophobicContact CG2-CD2 4.18Å; T217-L234 HydrophobicContact CG2-CG 4.39Å; L230-L234 HydrophobicContact CD1-CD1 4.19Å; L230-L234 HydrophobicContact CD1-CG 4.2Å; L230-L234 HydrophobicContact CG-CD1 4.26Å; L230-L234 WeakPolarHBondContact O-CG 3.33Å; L230-L234 PolarHBondContact O-N 3.21Å; L234-I237 PolarHBondContact O-N 3.35Å; L234-G238 PolarHBondContact O-N 3.48Å |
| 235 | L | 97 | Very high | 94.7 | Very high | 69 Ų | 69 | 42.9 Ų | 42.9 | 36% | 0.361 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65.1 | -39.8 | 176.1 | -176.2 | 56.8 | 0 | 0 | 0 | 112.3 | F179 M183 M231 C232 G233 G238 L239 | F179-L235 HydrophobicContact CD2-CD2 4.2Å; F179-L235 HydrophobicContact CE2-CD2 3.92Å; M183-L235 HydrophobicContact CE-CD1 4.25Å; M183-L235 HydrophobicContact CE-CD2 3.35Å; M183-L235 HydrophobicContact CE-CG 3.71Å; M231-L235 WeakPolarHBondContact O-CB 3.39Å; M231-L235 PolarHBondContact O-N 3.22Å; M231-L235 VanDerWaalsContact O-N 3.14Å; C232-L235 PolarHBondContact O-N 2.88Å; G233-L235 VanDerWaalsContact C-N 3.31Å; G233-L235 PolarHBondContact O-N 3.34Å; L235-G238 PolarHBondContact O-N 2.85Å; L235-L239 PolarHBondContact O-N 2.91Å |
| 236 | Q | 97 | Very high | 95.1 | Very high | 11 Ų | 11 | 42.6 Ų | 42.6 | 5% | 0.051 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.9 | -55.2 | 172.3 | -80.2 | 173.6 | -10.3 | 0 | 0 | 111.2 | E181 S182 D213 C232 G233 G238 L239 D240 | E181-Q236 PolarHBondContact O-NE2 3Å; S182-Q236 VanDerWaalsContact CA-CG 3.44Å; D213-Q236 HydrophobicContact CB-CB 4.07Å; D213-Q236 PolarHBondContact OD1-OE1 3.47Å; C232-Q236 WeakPolarHBondContact O-CG 3.49Å; C232-Q236 PolarHBondContact O-N 3.45Å; G233-Q236 WeakPolarHBondContact O-CB 3.29Å; G233-Q236 PolarHBondContact O-N 3.01Å; Q236-G238 VanDerWaalsContact C-N 3.26Å; Q236-G238 PolarHBondContact O-N 2.75Å; Q236-L239 PolarHBondContact O-N 2.9Å; Q236-L239 VanDerWaalsContact O-N 3.14Å; Q236-D240 WeakPolarHBondContact O-CB 3.47Å; Q236-D240 PolarHBondContact O-N 3.12Å |
| 237 | I | 97.2 | Very high | 95.4 | Very high | 28 Ų | 28 | 41.5 Ų | 41.5 | 14% | 0.144 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -55.9 | -44.4 | 178.4 | -63.5 | 165 | 0 | 0 | 0 | 110.2 | D213 V214 T217 G233 L234 D240 L241 | D213-I237 HydrophobicContact CB-CG1 3.99Å; V214-I237 HydrophobicContact CB-CD1 4.49Å; V214-I237 HydrophobicContact CG2-CD1 3.96Å; V214-I237 HydrophobicContact CG2-CG1 3.98Å; V214-I237 HydrophobicContact CG2-CG2 4.2Å; T217-I237 HydrophobicContact CG2-CD1 4.18Å; T217-I237 WeakPolarHBondContact OG1-CD1 3.28Å; G233-I237 WeakPolarHBondContact O-CG1 3.24Å; G233-I237 PolarHBondContact O-N 3.43Å; L234-I237 PolarHBondContact O-N 3.35Å; I237-D240 PolarHBondContact O-N 2.84Å; I237-L241 HydrophobicContact CG2-CD1 3.93Å; I237-L241 HydrophobicContact CG2-CG 4.27Å; I237-L241 WeakPolarHBondContact O-CB 3.38Å; I237-L241 VanDerWaalsContact O-CG 3.24Å; I237-L241 WeakPolarHBondContact O-CG 3.49Å; I237-L241 PolarHBondContact O-N 3.45Å |
| 238 | G | 97.7 | Very high | 95.5 | Very high | 37 Ų | 37 | 41.2 Ų | 41.2 | 38% | 0.381 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60.2 | -46.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L234 L235 Q236 A242 | L234-G238 PolarHBondContact O-N 3.48Å; L235-G238 PolarHBondContact O-N 2.85Å; Q236-G238 VanDerWaalsContact C-N 3.26Å; Q236-G238 PolarHBondContact O-N 2.75Å; G238-A242 WeakPolarHBondContact O-CB 3.3Å; G238-A242 PolarHBondContact O-N 3.49Å |
| 239 | L | 96.6 | Very high | 95.4 | Very high | 21 Ų | 21 | 44.1 Ų | 44.1 | 11% | 0.11 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.6 | -41.7 | 177.1 | -82.2 | 171.5 | 0 | 0 | 0 | 112.1 | S182 M183 L186 L235 Q236 A242 I243 | S182-L239 WeakPolarHBondContact O-CD1 3.48Å; M183-L239 HydrophobicContact CE-CD1 3.57Å; M183-L239 HydrophobicContact SD-CD1 4.4Å; L186-L239 HydrophobicContact CB-CD1 4.4Å; L186-L239 HydrophobicContact CB-CD2 4.5Å; L186-L239 HydrophobicContact CD1-CD2 3.93Å; L235-L239 PolarHBondContact O-N 2.91Å; Q236-L239 PolarHBondContact O-N 2.9Å; Q236-L239 VanDerWaalsContact O-N 3.14Å; L239-A242 WeakPolarHBondContact O-CB 3.4Å; L239-A242 PolarHBondContact O-N 2.71Å; L239-I243 WeakPolarHBondContact O-CG1 3.4Å; L239-I243 PolarHBondContact O-N 3.41Å |
| 240 | D | 96.2 | Very high | 95.4 | Very high | 6 Ų | 6 | 45.4 Ų | 45.4 | 3% | 0.032 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.4 | -47.2 | 177.8 | -96.7 | 24.4 | 0 | 0 | 0 | 112.1 | W209 T210 Q236 I237 A242 I243 L244 | W209-D240 VanDerWaalsContact CB-OD2 3.27Å; W209-D240 WeakPolarHBondContact CB-OD2 3.5Å; T210-D240 WeakPolarHBondContact CA-OD2 3.29Å; T210-D240 WeakPolarHBondContact CB-OD2 3.33Å; T210-D240 HydrophobicContact CG2-CB 4.09Å; T210-D240 PolarHBondContact N-OD2 2.93Å; T210-D240 VanDerWaalsContact OG1-CB 3.31Å; T210-D240 WeakPolarHBondContact OG1-CB 3.42Å; T210-D240 PolarHBondContact OG1-OD2 3.44Å; Q236-D240 WeakPolarHBondContact O-CB 3.47Å; Q236-D240 PolarHBondContact O-N 3.12Å; I237-D240 PolarHBondContact O-N 2.84Å; D240-A242 VanDerWaalsContact C-N 3.28Å; D240-A242 PolarHBondContact O-N 3.22Å; D240-I243 PolarHBondContact O-N 2.92Å; D240-I243 VanDerWaalsContact O-N 3.17Å; D240-L244 WeakPolarHBondContact O-CG 3.39Å; D240-L244 PolarHBondContact O-N 2.86Å |
| 241 | L | 97.2 | Very high | 94.6 | Very high | 97 Ų | 97 | 51.4 Ų | 51.4 | 51% | 0.508 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.9 | -37.8 | 173.5 | -69.3 | 176.7 | 0 | 0 | 0 | 111.7 | T210 I237 L244 L245 | T210-L241 HydrophobicContact CG2-CD2 4.29Å; I237-L241 HydrophobicContact CG2-CD1 3.93Å; I237-L241 HydrophobicContact CG2-CG 4.27Å; I237-L241 WeakPolarHBondContact O-CB 3.38Å; I237-L241 VanDerWaalsContact O-CG 3.24Å; I237-L241 WeakPolarHBondContact O-CG 3.49Å; I237-L241 PolarHBondContact O-N 3.45Å; L241-L244 PolarHBondContact O-N 3.21Å; L241-L245 WeakPolarHBondContact O-CB 3.34Å; L241-L245 PolarHBondContact O-N 2.93Å |
| 242 | A | 96.8 | Very high | 93.1 | Very high | 29 Ų | 29 | 49.2 Ų | 49.2 | 24% | 0.24 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.9 | -38.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | F189 G238 L239 D240 L245 Q246 | F189-A242 HydrophobicContact CD2-CB 3.88Å; F189-A242 HydrophobicContact CE2-CB 3.75Å; G238-A242 WeakPolarHBondContact O-CB 3.3Å; G238-A242 PolarHBondContact O-N 3.49Å; L239-A242 WeakPolarHBondContact O-CB 3.4Å; L239-A242 PolarHBondContact O-N 2.71Å; D240-A242 VanDerWaalsContact C-N 3.28Å; D240-A242 PolarHBondContact O-N 3.22Å; A242-L245 PolarHBondContact O-N 2.9Å; A242-Q246 WeakPolarHBondContact O-CG 3.36Å; A242-Q246 PolarHBondContact O-N 3.44Å |
| 243 | I | 95.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.6 | -42.8 | 174.1 | -64.5 | 163.5 | 0 | 0 | 0 | 110.7 | G185 Q188 F189 M201 V206 L239 D240 L245 Q246 C247 | G185-I243 WeakPolarHBondContact O-CD1 3.33Å; Q188-I243 HydrophobicContact CB-CD1 4.43Å; F189-I243 HydrophobicContact CB-CD1 4.37Å; F189-I243 HydrophobicContact CB-CG1 3.8Å; F189-I243 HydrophobicContact CD2-CG1 4.37Å; M201-I243 HydrophobicContact CE-CG2 4.19Å; M201-I243 HydrophobicContact SD-CG2 3.91Å; V206-I243 HydrophobicContact CG1-CB 4.22Å; V206-I243 HydrophobicContact CG1-CG2 3.88Å; V206-I243 HydrophobicContact CG2-CG2 4.12Å; L239-I243 WeakPolarHBondContact O-CG1 3.4Å; L239-I243 PolarHBondContact O-N 3.41Å; D240-I243 PolarHBondContact O-N 2.92Å; D240-I243 VanDerWaalsContact O-N 3.17Å; I243-L245 VanDerWaalsContact C-N 3.31Å; I243-L245 PolarHBondContact O-N 3.1Å; I243-Q246 WeakPolarHBondContact O-CB 3.3Å; I243-Q246 PolarHBondContact O-N 2.91Å; I243-C247 PolarHBondContact O-N 3.39Å; I243-C247 PolarHBondContact O-SG 3.39Å |
| 244 | L | 95.2 | Very high | 89 | Confident | 31 Ų | 31 | 57.4 Ų | 57.4 | 16% | 0.162 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.3 | -38.1 | 176.4 | -69.1 | 175.5 | 0 | 0 | 0 | 111.5 | V206 L207 T210 D240 L241 C247 L248 | V206-L244 HydrophobicContact CB-CD2 4.25Å; V206-L244 HydrophobicContact CG1-CD2 3.8Å; V206-L244 HydrophobicContact CG1-CG 3.97Å; L207-L244 HydrophobicContact CD2-CD1 3.91Å; L207-L244 HydrophobicContact CD2-CD2 3.69Å; L207-L244 HydrophobicContact CD2-CG 4.48Å; L207-L244 HydrophobicContact CG-CD2 3.99Å; T210-L244 HydrophobicContact CG2-CD1 4.22Å; D240-L244 WeakPolarHBondContact O-CG 3.39Å; D240-L244 PolarHBondContact O-N 2.86Å; L241-L244 PolarHBondContact O-N 3.21Å; L244-C247 WeakPolarHBondContact O-CA 3.5Å; L244-C247 WeakPolarHBondContact O-CB 3.4Å; L244-C247 PolarHBondContact O-N 3.36Å; L244-L248 PolarHBondContact O-N 3.08Å; L244-L248 VanDerWaalsContact O-N 3.13Å |
| 245 | L | 95.2 | Very high | 86.1 | Confident | 106 Ų | 106 | 62.2 Ų | 62.2 | 56% | 0.555 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -61 | -45.1 | 172.8 | -176.8 | 66.3 | 0 | 0 | 0 | 111.3 | L241 A242 I243 C247 L248 C249 | L241-L245 WeakPolarHBondContact O-CB 3.34Å; L241-L245 PolarHBondContact O-N 2.93Å; A242-L245 PolarHBondContact O-N 2.9Å; I243-L245 VanDerWaalsContact C-N 3.31Å; I243-L245 PolarHBondContact O-N 3.1Å; L245-C247 PolarHBondContact O-N 3.45Å; L245-L248 WeakPolarHBondContact O-CB 3.46Å; L245-L248 PolarHBondContact O-N 3.44Å; L245-C249 PolarHBondContact O-N 2.93Å; L245-C249 PolarHBondContact O-SG 3Å; L245-C249 VanDerWaalsContact O-SG 3.4Å |
| 246 | Q | 95 | Very high | 83.1 | Confident | 11 Ų | 11 | 68.7 Ų | 68.7 | 5% | 0.051 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -58.7 | -34 | 172.6 | -70.7 | 175.4 | -25.8 | 0 | 0 | 112.2 | F189 N192 A242 I243 L248 C249 Y250 | F189-Q246 VanDerWaalsContact CD2-CD 3.48Å; F189-Q246 HydrophobicContact CD2-CG 4.44Å; F189-Q246 VanDerWaalsContact CD2-NE2 3.26Å; F189-Q246 HydrophobicContact CE2-CG 4.33Å; F189-Q246 PolarHBondContact O-NE2 3.5Å; F189-Q246 PolarHBondContact O-OE1 3.32Å; N192-Q246 HydrophobicContact CB-CB 4.44Å; N192-Q246 PolarHBondContact ND2-OE1 3.18Å; N192-Q246 VanDerWaalsContact ND2-OE1 3.12Å; A242-Q246 WeakPolarHBondContact O-CG 3.36Å; A242-Q246 PolarHBondContact O-N 3.44Å; I243-Q246 WeakPolarHBondContact O-CB 3.3Å; I243-Q246 PolarHBondContact O-N 2.91Å; Q246-L248 VanDerWaalsContact C-N 3.3Å; Q246-L248 PolarHBondContact O-N 3.41Å; Q246-C249 PolarHBondContact O-N 3.5Å; Q246-Y250 HydrophobicContact CB-CD2 3.93Å; Q246-Y250 HydrophobicContact CB-CE2 3.76Å; Q246-Y250 HydrophobicContact CG-CE2 3.88Å; Q246-Y250 WeakPolarHBondContact O-CB 3.35Å; Q246-Y250 VanDerWaalsContact O-CD2 3.22Å; Q246-Y250 WeakPolarHBondContact O-CD2 3.39Å; Q246-Y250 PolarHBondContact O-N 3.18Å |
| 247 | C | 92.5 | Very high | 82.4 | Confident | 9 Ų | 9 | 71.6 Ų | 71.6 | 6% | 0.061 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -63.2 | -37.5 | 174.1 | -58.5 | 0 | 0 | 0 | 0 | 112.1 | I198 M201 I243 L244 L245 R251 | I198-C247 HydrophobicContact CD1-CB 4.33Å; M201-C247 WeakPolarHBondContact CE-SG 3.35Å; I243-C247 PolarHBondContact O-N 3.39Å; I243-C247 PolarHBondContact O-SG 3.39Å; L244-C247 WeakPolarHBondContact O-CA 3.5Å; L244-C247 WeakPolarHBondContact O-CB 3.4Å; L244-C247 PolarHBondContact O-N 3.36Å; L245-C247 PolarHBondContact O-N 3.45Å; C247-R251 WeakPolarHBondContact O-CB 3.33Å; C247-R251 PolarHBondContact O-N 2.74Å |
| 248 | L | 91.9 | Very high | 81.6 | Confident | 125 Ų | 125 | 73.8 Ų | 73.8 | 65% | 0.654 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -71.8 | -43.5 | 178.3 | -61.6 | 177.5 | 0 | 0 | 0 | 111.1 | L244 L245 Q246 | L244-L248 PolarHBondContact O-N 3.08Å; L244-L248 VanDerWaalsContact O-N 3.13Å; L245-L248 WeakPolarHBondContact O-CB 3.46Å; L245-L248 PolarHBondContact O-N 3.44Å; Q246-L248 VanDerWaalsContact C-N 3.3Å; Q246-L248 PolarHBondContact O-N 3.41Å |
| 249 | C | 92.1 | Very high | 80.7 | Confident | 75 Ų | 75 | 75.9 Ų | 75.9 | 51% | 0.507 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.2 | -50.3 | -180 | -62.1 | 0 | 0 | 0 | 0 | 112.6 | L245 Q246 R251 | L245-C249 PolarHBondContact O-N 2.93Å; L245-C249 PolarHBondContact O-SG 3Å; L245-C249 VanDerWaalsContact O-SG 3.4Å; Q246-C249 PolarHBondContact O-N 3.5Å; C249-R251 PolarHBondContact O-N 3.27Å |
| 250 | Y | 90.3 | Very high | 79.8 | Confident | 28 Ų | 28 | 79.1 Ų | 79.1 | 11% | 0.11 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -85.5 | -4.6 | -172.2 | -54.8 | -41.7 | 0 | 0 | 0 | 114.2 | N192 K196 I198 Q246 G252 E253 | N192-Y250 HydrophobicContact CB-CE2 4.29Å; N192-Y250 WeakPolarHBondContact O-CE2 3.27Å; K196-Y250 HydrophobicContact CB-CD1 4.47Å; K196-Y250 HydrophobicContact CB-CE1 4.25Å; K196-Y250 HydrophobicContact CD-CE1 3.69Å; K196-Y250 WeakPolarHBondContact CD-OH 3.17Å; K196-Y250 PolarHBondContact NZ-OH 2.8Å; I198-Y250 HydrophobicContact CG2-CD2 4.19Å; Q246-Y250 HydrophobicContact CB-CD2 3.93Å; Q246-Y250 HydrophobicContact CB-CE2 3.76Å; Q246-Y250 HydrophobicContact CG-CE2 3.88Å; Q246-Y250 WeakPolarHBondContact O-CB 3.35Å; Q246-Y250 VanDerWaalsContact O-CD2 3.22Å; Q246-Y250 WeakPolarHBondContact O-CD2 3.39Å; Q246-Y250 PolarHBondContact O-N 3.18Å; Y250-G252 VanDerWaalsContact C-N 3.27Å; Y250-G252 PolarHBondContact O-N 3.39Å; Y250-E253 PolarHBondContact O-N 3.3Å |
| 251 | R | 78.4 | Confident | 78.8 | Confident | 180 Ų | 180 | 83.7 Ų | 83.7 | 68% | 0.679 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -25.2 | 176.7 | 175.2 | 172.8 | 160.3 | -175.2 | -6.4 | 112.7 | I198 C247 C249 | I198-R251 HydrophobicContact CD1-CB 4.42Å; C247-R251 WeakPolarHBondContact O-CB 3.33Å; C247-R251 PolarHBondContact O-N 2.74Å; C249-R251 PolarHBondContact O-N 3.27Å |
| 252 | G | 64.6 | Low | 77.5 | Confident | 68 Ų | 68 | 82.8 Ų | 82.8 | 70% | 0.701 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -79.7 | -22.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y250 | Y250-G252 VanDerWaalsContact C-N 3.27Å; Y250-G252 PolarHBondContact O-N 3.39Å |
| 253 | E | 56.1 | Low | 76.2 | Confident | 125 Ų | 125 | 86.6 Ų | 86.6 | 58% | 0.584 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -0.6 | -173.2 | -62.3 | -178 | 163.4 | 0 | 0 | 113.1 | Y250 | Y250-E253 PolarHBondContact O-N 3.3Š|
| 254 | G | 49.1 | Very low | 74.7 | Confident | 52 Ų | 52 | 93.3 Ų | 93.3 | 54% | 0.536 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 7.9 | -174 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 255 | F | 37.6 | Very low | 73 | Confident | 199 Ų | 199 | 98.5 Ų | 98.5 | 87% | 0.873 | 55% | 0.547 | S | S | * | . | trans | -116.6 | 66.8 | 171.4 | -76.4 | -81.7 | 0 | 0 | 0 | 110.5 | ||||
| 256 | T | 33.6 | Very low | 71 | Confident | 204 Ų | 204 | 97.8 Ų | 97.8 | 100% | 1.252 | 55% | 0.546 | S | S | * | . | trans | -140.6 | 0 | 157.2 | 54.7 | 0 | 0 | 0 | 0 | 108.7 |
Retrieved 256 of 256 residues in 86.9 ms
(Link to these results)