| 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 | 60.4 | Low | 70.5 | Confident | 209 Ų | 209 | 124.9 Ų | 124.9 | 100% | 1.03 | 61% | 0.606 | S | S | * | * | 0 | -51 | 0 | -82.1 | -76.2 | 166.6 | 0 | 0 | 112.6 | S3 L4 | M1-S3 PolarHBondContact O-N 3.44Å; M1-L4 PolarHBondContact O-N 3.43Å | |||
| 2 | L | 64.3 | Low | 71.1 | Confident | 132 Ų | 132 | 122.4 Ų | 122.4 | 69% | 0.691 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -57.2 | -41.3 | -177.9 | -165.8 | 77.3 | 0 | 0 | 0 | 114.9 | L4 L5 I6 | L2-L4 PolarHBondContact O-N 3.04Å; L2-L5 WeakPolarHBondContact O-CB 3.33Å; L2-L5 PolarHBondContact O-N 2.85Å; L2-L5 VanDerWaalsContact O-N 3.15Å; L2-I6 HydrophobicContact CD2-CD1 4.21Å; L2-I6 HydrophobicContact CG-CD1 3.97Å; L2-I6 WeakPolarHBondContact O-CG1 3.27Å; L2-I6 PolarHBondContact O-N 3.35Å |
| 3 | S | 63.1 | Low | 71.4 | Confident | 79 Ų | 79 | 120.4 Ų | 120.4 | 55% | 0.552 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63.2 | -35.9 | -177.8 | 172.5 | 0 | 0 | 0 | 0 | 113.8 | M1 L5 Y7 | M1-S3 PolarHBondContact O-N 3.44Å; S3-L5 VanDerWaalsContact C-N 3.32Å; S3-Y7 PolarHBondContact O-N 2.95Å |
| 4 | L | 68.6 | Low | 71.5 | Confident | 123 Ų | 123 | 121.4 Ų | 121.4 | 64% | 0.644 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -69.3 | -33.4 | 176.3 | -77.9 | 168.8 | 0 | 0 | 0 | 111.9 | M1 L2 R8 | M1-L4 PolarHBondContact O-N 3.43Å; L2-L4 PolarHBondContact O-N 3.04Å; L4-R8 PolarHBondContact O-N 2.9Å; L4-R8 VanDerWaalsContact O-N 3.08Å |
| 5 | L | 70.8 | Confident | 71.5 | Confident | 108 Ų | 108 | 119.9 Ų | 119.9 | 57% | 0.565 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -69.9 | -43.9 | 178.7 | -147.3 | 162.1 | 0 | 0 | 0 | 110.4 | L2 S3 Y7 R8 I9 | L2-L5 WeakPolarHBondContact O-CB 3.33Å; L2-L5 PolarHBondContact O-N 2.85Å; L2-L5 VanDerWaalsContact O-N 3.15Å; S3-L5 VanDerWaalsContact C-N 3.32Å; L5-Y7 PolarHBondContact O-N 3.11Å; L5-R8 PolarHBondContact O-N 3.01Å; L5-I9 HydrophobicContact CD2-CD1 3.45Å; L5-I9 VanDerWaalsContact CD2-CD1 3.45Å; L5-I9 HydrophobicContact CD2-CG1 4.1Å; L5-I9 WeakPolarHBondContact O-CG1 3.34Å; L5-I9 PolarHBondContact O-N 3.23Å |
| 6 | I | 72.6 | Confident | 71.2 | Confident | 83 Ų | 83 | 118.7 Ų | 118.7 | 43% | 0.426 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -62.7 | -42.8 | 175.3 | -65.2 | 164.7 | 0 | 0 | 0 | 111.2 | L2 R8 I9 L10 | L2-I6 HydrophobicContact CD2-CD1 4.21Å; L2-I6 HydrophobicContact CG-CD1 3.97Å; L2-I6 WeakPolarHBondContact O-CG1 3.27Å; L2-I6 PolarHBondContact O-N 3.35Å; I6-R8 VanDerWaalsContact C-N 3.34Å; I6-R8 PolarHBondContact O-N 2.84Å; I6-I9 PolarHBondContact O-N 3.1Å; I6-L10 HydrophobicContact CG2-CD1 3.93Å; I6-L10 WeakPolarHBondContact O-CB 3.31Å; I6-L10 PolarHBondContact O-N 2.8Å |
| 7 | Y | 73 | Confident | 70.6 | Confident | 153 Ų | 153 | 117.6 Ų | 117.6 | 60% | 0.6 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -61 | -42.2 | 176.4 | -178 | -97.6 | 0 | 0 | 0 | 112 | S3 L5 L10 F11 | S3-Y7 PolarHBondContact O-N 2.95Å; L5-Y7 PolarHBondContact O-N 3.11Å; Y7-L10 PolarHBondContact O-N 2.95Å; Y7-F11 WeakPolarHBondContact O-CB 3.29Å; Y7-F11 PolarHBondContact O-N 3.39Å |
| 8 | R | 72.8 | Confident | 69.9 | Low | 190 Ų | 190 | 113.3 Ų | 113.3 | 72% | 0.717 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.6 | -41.5 | 175.8 | -81.9 | -165.2 | 171.8 | -120.8 | 1.1 | 112.7 | L4 L5 I6 F11 I12 | L4-R8 PolarHBondContact O-N 2.9Å; L4-R8 VanDerWaalsContact O-N 3.08Å; L5-R8 PolarHBondContact O-N 3.01Å; I6-R8 VanDerWaalsContact C-N 3.34Å; I6-R8 PolarHBondContact O-N 2.84Å; R8-F11 PolarHBondContact O-N 3.39Å; R8-I12 WeakPolarHBondContact O-CD1 3.22Å; R8-I12 VanDerWaalsContact O-CG1 3.24Å; R8-I12 WeakPolarHBondContact O-CG1 3.36Å; R8-I12 PolarHBondContact O-N 3Å |
| 9 | I | 77.6 | Confident | 69.1 | Low | 84 Ų | 84 | 111.1 Ų | 111.1 | 43% | 0.431 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.1 | -45.4 | 176.9 | -68.1 | 165.5 | 0 | 0 | 0 | 110.5 | L5 I6 F11 I12 I13 | L5-I9 HydrophobicContact CD2-CD1 3.45Å; L5-I9 VanDerWaalsContact CD2-CD1 3.45Å; L5-I9 HydrophobicContact CD2-CG1 4.1Å; L5-I9 WeakPolarHBondContact O-CG1 3.34Å; L5-I9 PolarHBondContact O-N 3.23Å; I6-I9 PolarHBondContact O-N 3.1Å; I9-F11 VanDerWaalsContact C-N 3.35Å; I9-F11 PolarHBondContact O-N 2.95Å; I9-I12 PolarHBondContact O-N 2.68Å; I9-I13 HydrophobicContact CG2-CD1 3.73Å; I9-I13 HydrophobicContact CG2-CG1 4.41Å; I9-I13 VanDerWaalsContact O-CG1 3.3Å; I9-I13 WeakPolarHBondContact O-CG1 3.49Å; I9-I13 PolarHBondContact O-N 2.92Å |
| 10 | L | 76.4 | Confident | 68.2 | Low | 90 Ų | 90 | 110.3 Ų | 110.3 | 47% | 0.471 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61.4 | -42.5 | 177.2 | -79.4 | 165.7 | 0 | 0 | 0 | 112 | I6 Y7 I12 I13 F14 | I6-L10 HydrophobicContact CG2-CD1 3.93Å; I6-L10 WeakPolarHBondContact O-CB 3.31Å; I6-L10 PolarHBondContact O-N 2.8Å; Y7-L10 PolarHBondContact O-N 2.95Å; L10-I12 PolarHBondContact O-N 3.09Å; L10-I13 PolarHBondContact O-N 3Å; L10-F14 WeakPolarHBondContact O-CB 3.41Å; L10-F14 PolarHBondContact O-N 3.06Å |
| 11 | F | 75.9 | Confident | 67.2 | Low | 123 Ų | 123 | 109.4 Ų | 109.4 | 54% | 0.539 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -60.8 | -44.8 | 176.7 | -170.9 | -93.3 | 0 | 0 | 0 | 111.6 | Y7 R8 I9 I13 F14 D15 | Y7-F11 WeakPolarHBondContact O-CB 3.29Å; Y7-F11 PolarHBondContact O-N 3.39Å; R8-F11 PolarHBondContact O-N 3.39Å; I9-F11 VanDerWaalsContact C-N 3.35Å; I9-F11 PolarHBondContact O-N 2.95Å; F11-I13 PolarHBondContact O-N 2.61Å; F11-F14 PolarHBondContact O-N 3.23Å; F11-D15 WeakPolarHBondContact O-CB 3.22Å; F11-D15 PolarHBondContact O-N 3.36Å |
| 12 | I | 77.4 | Confident | 66.5 | Low | 95 Ų | 95 | 108.1 Ų | 108.1 | 49% | 0.487 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.5 | -44.2 | 177.3 | -67.1 | 162.6 | 0 | 0 | 0 | 111.2 | R8 I9 L10 F14 D15 I16 | R8-I12 WeakPolarHBondContact O-CD1 3.22Å; R8-I12 VanDerWaalsContact O-CG1 3.24Å; R8-I12 WeakPolarHBondContact O-CG1 3.36Å; R8-I12 PolarHBondContact O-N 3Å; I9-I12 PolarHBondContact O-N 2.68Å; L10-I12 PolarHBondContact O-N 3.09Å; I12-F14 VanDerWaalsContact C-N 3.33Å; I12-F14 PolarHBondContact O-N 3.03Å; I12-D15 PolarHBondContact O-N 3.44Å; I12-I16 HydrophobicContact CG2-CD1 3.74Å; I12-I16 HydrophobicContact CG2-CG1 4.44Å; I12-I16 VanDerWaalsContact O-CG1 3.25Å; I12-I16 WeakPolarHBondContact O-CG1 3.35Å; I12-I16 PolarHBondContact O-N 3.42Å |
| 13 | I | 75.4 | Confident | 65.5 | Low | 96 Ų | 96 | 105 Ų | 105 | 49% | 0.492 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.1 | -42.2 | 178.2 | -67.3 | 167.5 | 0 | 0 | 0 | 110.6 | I9 L10 F11 D15 I16 L17 | I9-I13 HydrophobicContact CG2-CD1 3.73Å; I9-I13 HydrophobicContact CG2-CG1 4.41Å; I9-I13 VanDerWaalsContact O-CG1 3.3Å; I9-I13 WeakPolarHBondContact O-CG1 3.49Å; I9-I13 PolarHBondContact O-N 2.92Å; L10-I13 PolarHBondContact O-N 3Å; F11-I13 PolarHBondContact O-N 2.61Å; I13-D15 VanDerWaalsContact C-N 3.35Å; I13-I16 PolarHBondContact O-N 2.83Å; I13-L17 WeakPolarHBondContact O-CB 3.06Å; I13-L17 PolarHBondContact O-N 3.13Å |
| 14 | F | 73 | Confident | 64.5 | Low | 135 Ų | 135 | 105.5 Ų | 105.5 | 59% | 0.592 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.9 | -38.7 | 178.7 | -140.4 | -86.3 | 0 | 0 | 0 | 111.8 | L10 F11 I12 L17 S18 | L10-F14 WeakPolarHBondContact O-CB 3.41Å; L10-F14 PolarHBondContact O-N 3.06Å; F11-F14 PolarHBondContact O-N 3.23Å; I12-F14 VanDerWaalsContact C-N 3.33Å; I12-F14 PolarHBondContact O-N 3.03Å; F14-L17 PolarHBondContact O-N 3.29Å; F14-S18 WeakPolarHBondContact O-CB 3.48Å; F14-S18 PolarHBondContact O-N 3.26Å |
| 15 | D | 71.7 | Confident | 63.2 | Low | 98 Ų | 98 | 105 Ų | 105 | 52% | 0.524 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.9 | -40.3 | 178.3 | -155.9 | 23.6 | 0 | 0 | 0 | 111.6 | F11 I12 I13 S18 S19 | F11-D15 WeakPolarHBondContact O-CB 3.22Å; F11-D15 PolarHBondContact O-N 3.36Å; I12-D15 PolarHBondContact O-N 3.44Å; I13-D15 VanDerWaalsContact C-N 3.35Å; D15-S18 PolarHBondContact O-N 3.11Å; D15-S19 VanDerWaalsContact O-CB 3.23Å; D15-S19 WeakPolarHBondContact O-CB 3.15Å; D15-S19 PolarHBondContact O-N 3.4Å |
| 16 | I | 66.7 | Low | 61.9 | Low | 101 Ų | 101 | 102.7 Ų | 102.7 | 52% | 0.518 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.8 | -43.8 | 172.7 | -66.8 | 164.7 | 0 | 0 | 0 | 110.9 | I12 I13 S19 N20 | I12-I16 HydrophobicContact CG2-CD1 3.74Å; I12-I16 HydrophobicContact CG2-CG1 4.44Å; I12-I16 VanDerWaalsContact O-CG1 3.25Å; I12-I16 WeakPolarHBondContact O-CG1 3.35Å; I12-I16 PolarHBondContact O-N 3.42Å; I13-I16 PolarHBondContact O-N 2.83Å; I16-S19 PolarHBondContact O-N 3.41Å; I16-N20 WeakPolarHBondContact O-CB 3.15Å; I16-N20 PolarHBondContact O-N 3.07Å |
| 17 | L | 60.7 | Low | 60.4 | Low | 100 Ų | 100 | 106.5 Ų | 106.5 | 52% | 0.524 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -68.8 | -38.4 | -179.9 | -164.5 | 70.3 | 0 | 0 | 0 | 111.5 | I13 F14 N20 N21 | I13-L17 WeakPolarHBondContact O-CB 3.06Å; I13-L17 PolarHBondContact O-N 3.13Å; F14-L17 PolarHBondContact O-N 3.29Å; L17-N20 PolarHBondContact O-N 3.32Å; L17-N21 PolarHBondContact O-N 3.29Å; L17-N21 PolarHBondContact O-ND2 3.43Å |
| 18 | S | 57.4 | Low | 58.8 | Low | 41 Ų | 41 | 106.3 Ų | 106.3 | 29% | 0.287 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.6 | -51.4 | 172.2 | -177.3 | 0 | 0 | 0 | 0 | 110.4 | F14 D15 N20 N21 Y22 | F14-S18 WeakPolarHBondContact O-CB 3.48Å; F14-S18 PolarHBondContact O-N 3.26Å; D15-S18 PolarHBondContact O-N 3.11Å; S18-N20 VanDerWaalsContact C-N 3.29Å; S18-N20 PolarHBondContact O-N 3Å; S18-N21 PolarHBondContact O-N 3.01Å; S18-Y22 WeakPolarHBondContact O-CD2 3.42Å; S18-Y22 PolarHBondContact O-N 3.02Å; S18-Y22 WeakPolarHBondContact OG-CE2 3.31Å |
| 19 | S | 54.5 | Low | 57.4 | Low | 71 Ų | 71 | 103.6 Ų | 103.6 | 50% | 0.497 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -59.3 | -38.8 | 177 | -179.6 | 0 | 0 | 0 | 0 | 112.3 | D15 I16 Y22 S23 | D15-S19 VanDerWaalsContact O-CB 3.23Å; D15-S19 WeakPolarHBondContact O-CB 3.15Å; D15-S19 PolarHBondContact O-N 3.4Å; I16-S19 PolarHBondContact O-N 3.41Å; S19-Y22 PolarHBondContact O-N 3.5Å; S19-S23 WeakPolarHBondContact O-CB 3.4Å; S19-S23 PolarHBondContact O-N 2.78Å |
| 20 | N | 50.9 | Low | 55.7 | Low | 95 Ų | 95 | 110.2 Ų | 110.2 | 51% | 0.508 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.3 | -41.7 | 173.7 | -104.8 | -15.4 | 0 | 0 | 0 | 111.9 | I16 L17 S18 S23 T24 | I16-N20 WeakPolarHBondContact O-CB 3.15Å; I16-N20 PolarHBondContact O-N 3.07Å; L17-N20 PolarHBondContact O-N 3.32Å; S18-N20 VanDerWaalsContact C-N 3.29Å; S18-N20 PolarHBondContact O-N 3Å; N20-S23 PolarHBondContact O-N 3.05Å; N20-T24 WeakPolarHBondContact O-CB 3.43Å; N20-T24 PolarHBondContact O-N 2.86Å; N20-T24 PolarHBondContact O-OG1 2.79Å |
| 21 | N | 47.4 | Very low | 54.4 | Low | 91 Ų | 91 | 111.6 Ų | 111.6 | 49% | 0.487 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -67.7 | -33.1 | 176.7 | -75.9 | -46.7 | 0 | 0 | 0 | 113 | L17 S18 T24 | L17-N21 PolarHBondContact O-N 3.29Å; L17-N21 PolarHBondContact O-ND2 3.43Å; S18-N21 PolarHBondContact O-N 3.01Å; N21-T24 WeakPolarHBondContact CA-OG1 3.33Å; N21-T24 PolarHBondContact O-OG1 3.37Å; N21-T24 VanDerWaalsContact O-OG1 3.07Å |
| 22 | Y | 46.6 | Very low | 53 | Low | 182 Ų | 182 | 111.6 Ų | 111.6 | 71% | 0.714 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -76.7 | -30.3 | 172.9 | -74.7 | -72.2 | 0 | 0 | 0 | 112.5 | S18 S19 | S18-Y22 WeakPolarHBondContact O-CD2 3.42Å; S18-Y22 PolarHBondContact O-N 3.02Å; S18-Y22 WeakPolarHBondContact OG-CE2 3.31Å; S19-Y22 PolarHBondContact O-N 3.5Å |
| 23 | S | 42.3 | Very low | 51.3 | Low | 67 Ų | 67 | 113.7 Ų | 113.7 | 47% | 0.469 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -84.6 | -22 | 178.8 | -170 | 0 | 0 | 0 | 0 | 113.6 | S19 N20 N25 G26 F27 | S19-S23 WeakPolarHBondContact O-CB 3.4Å; S19-S23 PolarHBondContact O-N 2.78Å; N20-S23 PolarHBondContact O-N 3.05Å; S23-N25 PolarHBondContact O-N 2.87Å; S23-G26 PolarHBondContact O-N 3.34Å; S23-G26 VanDerWaalsContact O-N 3.13Å; S23-F27 PolarHBondContact O-N 2.8Å |
| 24 | T | 42.6 | Very low | 49.3 | Very low | 89 Ų | 89 | 115.8 Ų | 115.8 | 55% | 0.546 | 61% | 0.609 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.2 | -12.8 | 173.2 | 32.7 | 0 | 0 | 0 | 0 | 113.4 | N20 N21 G26 | N20-T24 WeakPolarHBondContact O-CB 3.43Å; N20-T24 PolarHBondContact O-N 2.86Å; N20-T24 PolarHBondContact O-OG1 2.79Å; N21-T24 WeakPolarHBondContact CA-OG1 3.33Å; N21-T24 PolarHBondContact O-OG1 3.37Å; N21-T24 VanDerWaalsContact O-OG1 3.07Å; T24-G26 PolarHBondContact O-N 3.43Å |
| 25 | N | 42.3 | Very low | 47.7 | Very low | 114 Ų | 114 | 115.4 Ų | 115.4 | 61% | 0.61 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | 10.1 | 169.6 | -63.8 | -22.9 | 0 | 0 | 0 | 113 | S23 | S23-N25 PolarHBondContact O-N 2.87Š|
| 26 | G | 42.7 | Very low | 45.7 | Very low | 59 Ų | 59 | 114.5 Ų | 114.5 | 61% | 0.608 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -153.3 | 0.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | S23 T24 | S23-G26 PolarHBondContact O-N 3.34Å; S23-G26 VanDerWaalsContact O-N 3.13Å; T24-G26 PolarHBondContact O-N 3.43Å |
| 27 | F | 40.3 | Very low | 43.9 | Very low | 162 Ų | 162 | 116.9 Ų | 116.9 | 71% | 0.711 | 63% | 0.633 | S | S | * | * | trans | -145 | 95 | 177.3 | -120.6 | -93.3 | 0 | 0 | 0 | 112 | S23 L29 | S23-F27 PolarHBondContact O-N 2.8Å; F27-L29 HydrophobicContact CD1-CD1 4.34Å; F27-L29 PolarHBondContact O-N 2.89Å; F27-L29 VanDerWaalsContact O-N 3.1Å | ||
| 28 | I | 41.3 | Very low | 42.5 | Very low | 150 Ų | 150 | 120 Ų | 120 | 77% | 0.769 | 65% | 0.649 | S | S | * | * | trans | -75.7 | 93.3 | 166 | -57.1 | 173.4 | 0 | 0 | 0 | 107 | R30 | I28-R30 HydrophobicContact CG2-CG 3.68Å; I28-R30 PolarHBondContact O-N 2.9Å | ||
| 29 | L | 43.1 | Very low | 41.2 | Very low | 133 Ų | 133 | 123.1 Ų | 123.1 | 70% | 0.696 | 67% | 0.671 | S | S | * | * | trans | -67.7 | 93.5 | 155.4 | -118.3 | 104.1 | 0 | 0 | 0 | 106.1 | F27 L31 | F27-L29 HydrophobicContact CD1-CD1 4.34Å; F27-L29 PolarHBondContact O-N 2.89Å; F27-L29 VanDerWaalsContact O-N 3.1Å; L29-L31 HydrophobicContact CB-CD1 4.48Å; L29-L31 HydrophobicContact CD2-CD1 3.8Å; L29-L31 PolarHBondContact O-N 3.39Å | ||
| 30 | R | 42.1 | Very low | 40.2 | Very low | 223 Ų | 223 | 126.1 Ų | 126.1 | 84% | 0.842 | 69% | 0.686 | S | S | * | * | trans | -62.3 | 87.6 | 166.7 | -75.2 | -174.9 | 168.1 | -131 | -1.3 | 107.3 | I28 P32 | I28-R30 HydrophobicContact CG2-CG 3.68Å; I28-R30 PolarHBondContact O-N 2.9Å; R30-P32 VanDerWaalsContact O-CD 3.22Å; R30-P32 WeakPolarHBondContact O-CD 3.46Å | ||
| 31 | L | 49.3 | Very low | 39.2 | Very low | 118 Ų | 118 | 126.6 Ų | 126.6 | 62% | 0.618 | 70% | 0.698 | S | S | * | * | trans | -73 | 114.8 | 156.5 | -103.9 | 77.1 | 0 | 0 | 0 | 106.2 | L29 L33 | L29-L31 HydrophobicContact CB-CD1 4.48Å; L29-L31 HydrophobicContact CD2-CD1 3.8Å; L29-L31 PolarHBondContact O-N 3.39Å; L31-L33 PolarHBondContact O-N 3.35Å | ||
| 32 | P | 44.6 | Very low | 38.6 | Very low | 123 Ų | 123 | 130.4 Ų | 130.4 | 80% | 0.799 | 71% | 0.712 | S | S | * | * | trans | -72.6 | 83 | 170.2 | 31.2 | -32.3 | 0 | 0 | 0 | 108 | R30 N34 | R30-P32 VanDerWaalsContact O-CD 3.22Å; R30-P32 WeakPolarHBondContact O-CD 3.46Å; P32-N34 PolarHBondContact O-N 3.43Å | ||
| 33 | L | 43 | Very low | 38 | Very low | 139 Ų | 139 | 130.4 Ų | 130.4 | 73% | 0.728 | 72% | 0.724 | S | S | * | * | trans | -75.5 | 86.4 | 162.6 | -82.9 | 157.9 | 0 | 0 | 0 | 107.1 | L31 V35 | L31-L33 PolarHBondContact O-N 3.35Å; L33-V35 VanDerWaalsContact C-N 3.26Å; L33-V35 HydrophobicContact CB-CG2 4.26Å; L33-V35 PolarHBondContact O-N 3.33Å | ||
| 34 | N | 33.6 | Very low | 37.5 | Very low | 141 Ų | 141 | 134.8 Ų | 134.8 | 75% | 0.754 | 74% | 0.74 | S | S | * | * | trans | -61.8 | 87.5 | 164.7 | -179.6 | 29 | 0 | 0 | 0 | 108.6 | P32 | P32-N34 PolarHBondContact O-N 3.43Š| ||
| 35 | V | 38.6 | Very low | 36.9 | Very low | 126 Ų | 126 | 137.6 Ų | 137.6 | 76% | 0.764 | 75% | 0.752 | S | S | * | * | trans | -98.2 | 83.2 | 171.4 | -165.5 | 0 | 0 | 0 | 0 | 107.7 | L33 | L33-V35 VanDerWaalsContact C-N 3.26Å; L33-V35 HydrophobicContact CB-CG2 4.26Å; L33-V35 PolarHBondContact O-N 3.33Å | ||
| 36 | S | 30 | Very low | 36.7 | Very low | 80 Ų | 80 | 141.3 Ų | 141.3 | 56% | 0.559 | 77% | 0.766 | S | S | * | * | trans | -72.1 | 132.5 | 165.5 | 48.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 37 | N | 29.6 | Very low | 36.5 | Very low | 151 Ų | 151 | 142.9 Ų | 142.9 | 81% | 0.807 | 77% | 0.767 | S | S | * | * | trans | 70.2 | 96.1 | 164.2 | -61.5 | -19.8 | 0 | 0 | 0 | 117.6 | ||||
| 38 | L | 31.3 | Very low | 36.3 | Very low | 164 Ų | 164 | 143.4 Ų | 143.4 | 86% | 0.859 | 78% | 0.777 | S | S | * | * | -158.1 | 127 | 117.9 | -148.5 | 62.2 | 0 | 0 | 0 | 111.2 | |||||
| 39 | S | 29.5 | Very low | 35.9 | Very low | 107 Ų | 107 | 146 Ų | 146 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | trans | -56.9 | 122.1 | -179.8 | 43.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 40 | T | 34.4 | Very low | 35.9 | Very low | 134 Ų | 134 | 146.4 Ų | 146.4 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | trans | -141.7 | 99.5 | 155 | 39.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 41 | S | 28.9 | Very low | 35.6 | Very low | 106 Ų | 106 | 144.6 Ų | 144.6 | 74% | 0.741 | 79% | 0.787 | S | S | * | * | trans | 37.3 | 132.9 | 134.9 | -154.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 42 | Q | 34 | Very low | 34.7 | Very low | 170 Ų | 170 | 146 Ų | 146 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | trans | 93.2 | 75.3 | 160 | -51 | -175.7 | -24.1 | 0 | 0 | 117.2 | ||||
| 43 | L | 35.7 | Very low | 34.7 | Very low | 182 Ų | 182 | 147.4 Ų | 147.4 | 95% | 0.953 | 80% | 0.795 | S | S | * | * | trans | -168.2 | 65.7 | 144.9 | -99.2 | 139.1 | 0 | 0 | 0 | 109.2 | ||||
| 44 | I | 30.9 | Very low | 34.2 | Very low | 159 Ų | 159 | 146.5 Ų | 146.5 | 82% | 0.815 | 80% | 0.796 | S | S | * | * | trans | -114.1 | 100.9 | 164.2 | -59.4 | 171.4 | 0 | 0 | 0 | 104.5 | ||||
| 45 | N | 30.8 | Very low | 34.7 | Very low | 149 Ų | 149 | 145.8 Ų | 145.8 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | 155 | 76.3 | 158.2 | -80.8 | -19 | 0 | 0 | 0 | 109.6 | ||||
| 46 | Q | 37.9 | Very low | 34.7 | Very low | 191 Ų | 191 | 146.8 Ų | 146.8 | 89% | 0.893 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -160.3 | 105.7 | 145.9 | -111.7 | 162.1 | 61.3 | 0 | 0 | 111.5 | ||
| 47 | S | 37.7 | Very low | 35.1 | Very low | 92 Ų | 92 | 150.1 Ų | 150.1 | 64% | 0.643 | 80% | 0.804 | S | S | * | * | trans | 60 | 76.4 | 150.5 | 59.6 | 0 | 0 | 0 | 0 | 119.2 | Y49 | S47-Y49 PolarHBondContact O-N 3.45Å; S47-Y49 VanDerWaalsContact O-N 3.09Å | ||
| 48 | L | 36.4 | Very low | 35.8 | Very low | 173 Ų | 173 | 148.6 Ų | 148.6 | 91% | 0.906 | 80% | 0.8 | S | S | * | * | trans | -63.3 | 77 | 134.3 | -169.8 | 82.2 | 0 | 0 | 0 | 109 | ||||
| 49 | Y | 33.4 | Very low | 36.4 | Very low | 205 Ų | 205 | 146.2 Ų | 146.2 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -154.2 | 83.4 | 171 | -74.5 | -73.7 | 0 | 0 | 0 | 110.4 | S47 | S47-Y49 PolarHBondContact O-N 3.45Å; S47-Y49 VanDerWaalsContact O-N 3.09Å | ||
| 50 | T | 41.6 | Very low | 37.1 | Very low | 141 Ų | 141 | 150.4 Ų | 150.4 | 87% | 0.865 | 79% | 0.793 | S | S | * | * | trans | -155.4 | 74.2 | 146.9 | -29.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 51 | E | 35.8 | Very low | 37.5 | Very low | 185 Ų | 185 | 151.5 Ų | 151.5 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | trans | -64 | 139 | 154.9 | -85.8 | -179.6 | 140.3 | 0 | 0 | 108.8 | ||||
| 52 | D | 31.8 | Very low | 38.4 | Very low | 148 Ų | 148 | 151.8 Ų | 151.8 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | trans | 41 | 94.9 | 155.5 | -94.2 | -24.5 | 0 | 0 | 0 | 118.3 | ||||
| 53 | L | 44.2 | Very low | 39.2 | Very low | 152 Ų | 152 | 150.6 Ų | 150.6 | 80% | 0.796 | 77% | 0.774 | S | S | * | * | trans | -140.6 | 90.8 | 146.1 | -160.2 | 67.3 | 0 | 0 | 0 | 111.2 | I55 | L53-I55 HydrophobicContact CD1-CD1 4.41Å; L53-I55 PolarHBondContact O-N 3Å | ||
| 54 | T | 32.7 | Very low | 39.8 | Very low | 121 Ų | 121 | 144.6 Ų | 144.6 | 74% | 0.742 | 75% | 0.747 | S | S | * | * | trans | -57.7 | 121.8 | 153.2 | -51.5 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 55 | I | 44.7 | Very low | 40.9 | Very low | 126 Ų | 126 | 141.3 Ų | 141.3 | 65% | 0.646 | 73% | 0.731 | S | S | * | * | trans | -172.9 | 126.1 | 146.7 | -90 | 142.4 | 0 | 0 | 0 | 109.6 | L53 | L53-I55 HydrophobicContact CD1-CD1 4.41Å; L53-I55 PolarHBondContact O-N 3Å | ||
| 56 | N | 37.1 | Very low | 41.9 | Very low | 146 Ų | 146 | 139.3 Ų | 139.3 | 78% | 0.781 | 72% | 0.719 | S | S | * | * | trans | -57 | 151.9 | 169.2 | -74.4 | -43.4 | 0 | 0 | 0 | 112.7 | ||||
| 57 | N | 37.9 | Very low | 42.4 | Very low | 151 Ų | 151 | 136.1 Ų | 136.1 | 81% | 0.807 | 71% | 0.705 | S | S | * | * | S | Bend | trans | 70.3 | 84.3 | 166.7 | -73.7 | -23.6 | 0 | 0 | 0 | 116.8 | ||
| 58 | T | 44.5 | Very low | 43.1 | Very low | 118 Ų | 118 | 137.2 Ų | 137.2 | 72% | 0.724 | 70% | 0.703 | S | S | * | * | trans | 172.3 | -4.5 | 143.6 | 37.5 | 0 | 0 | 0 | 0 | 113.1 | F60 | T58-F60 VanDerWaalsContact C-N 3.28Å; T58-F60 PolarHBondContact O-N 3.07Å | ||
| 59 | N | 44.2 | Very low | 43.9 | Very low | 114 Ų | 114 | 132 Ų | 132 | 61% | 0.61 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | 1.2 | -168.5 | -64.2 | -25.6 | 0 | 0 | 0 | 117.7 | ||
| 60 | F | 43.9 | Very low | 44.7 | Very low | 195 Ų | 195 | 129.2 Ų | 129.2 | 86% | 0.855 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -14.4 | 177.9 | -144 | -93.4 | 0 | 0 | 0 | 113.9 | T58 | T58-F60 VanDerWaalsContact C-N 3.28Å; T58-F60 PolarHBondContact O-N 3.07Å |
| 61 | F | 44.3 | Very low | 45.1 | Very low | 158 Ų | 158 | 127.7 Ų | 127.7 | 69% | 0.693 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -97.6 | -10.7 | 179.9 | -107.5 | -89.5 | 0 | 0 | 0 | 114.5 | I65 | F61-I65 VanDerWaalsContact O-CD1 3.29Å; F61-I65 WeakPolarHBondContact O-CD1 3.44Å; F61-I65 WeakPolarHBondContact O-CG1 3.1Å |
| 62 | N | 47.4 | Very low | 45.7 | Very low | 111 Ų | 111 | 123.6 Ų | 123.6 | 59% | 0.594 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -92.7 | -22.7 | -178.2 | -96.2 | -15.9 | 0 | 0 | 0 | 114.3 | L66 | N62-L66 WeakPolarHBondContact O-CB 3.28Å; N62-L66 PolarHBondContact O-N 2.93Å; N62-L66 VanDerWaalsContact O-N 3.11Å |
| 63 | Q | 49.7 | Very low | 46.6 | Very low | 146 Ų | 146 | 122.7 Ų | 122.7 | 68% | 0.682 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -71.5 | -41.3 | 176.1 | -88.9 | -173 | 73.7 | 0 | 0 | 112.2 | I65 L66 E67 | Q63-I65 VanDerWaalsContact C-N 3.33Å; Q63-I65 PolarHBondContact O-N 3.47Å; Q63-L66 PolarHBondContact O-N 3.33Å; Q63-E67 VanDerWaalsContact O-CB 3.27Å; Q63-E67 WeakPolarHBondContact O-CB 3.3Å; Q63-E67 PolarHBondContact O-N 3.27Å |
| 64 | S | 50 | Low | 46.9 | Very low | 55 Ų | 55 | 118.4 Ų | 118.4 | 39% | 0.385 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -69.5 | -30.5 | 179 | 62.8 | 0 | 0 | 0 | 0 | 113 | N68 | S64-N68 VanDerWaalsContact O-CB 3.31Å; S64-N68 WeakPolarHBondContact O-CB 3.25Å; S64-N68 VanDerWaalsContact O-CG 3.29Å; S64-N68 PolarHBondContact O-N 2.96Å |
| 65 | I | 52.7 | Low | 47.7 | Very low | 91 Ų | 91 | 118 Ų | 118 | 47% | 0.467 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -74.3 | -39.5 | 175.9 | -63.4 | 173.1 | 0 | 0 | 0 | 110.2 | F61 Q63 T69 | F61-I65 VanDerWaalsContact O-CD1 3.29Å; F61-I65 WeakPolarHBondContact O-CD1 3.44Å; F61-I65 WeakPolarHBondContact O-CG1 3.1Å; Q63-I65 VanDerWaalsContact C-N 3.33Å; Q63-I65 PolarHBondContact O-N 3.47Å; I65-T69 WeakPolarHBondContact O-CB 3.23Å; I65-T69 PolarHBondContact O-N 3.03Å; I65-T69 PolarHBondContact O-OG1 2.94Å |
| 66 | L | 51.3 | Low | 48 | Very low | 107 Ų | 107 | 118.4 Ų | 118.4 | 56% | 0.56 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -68.1 | -42.4 | 176.1 | -160 | 71.7 | 0 | 0 | 0 | 111 | N62 Q63 T69 Y70 | N62-L66 WeakPolarHBondContact O-CB 3.28Å; N62-L66 PolarHBondContact O-N 2.93Å; N62-L66 VanDerWaalsContact O-N 3.11Å; Q63-L66 PolarHBondContact O-N 3.33Å; L66-T69 PolarHBondContact O-N 3.33Å; L66-Y70 HydrophobicContact CD1-CD2 4.44Å; L66-Y70 HydrophobicContact CD1-CE2 4.2Å; L66-Y70 HydrophobicContact CD2-CE2 4.47Å; L66-Y70 HydrophobicContact CG-CD2 4.02Å; L66-Y70 HydrophobicContact CG-CE2 4.02Å; L66-Y70 WeakPolarHBondContact O-CD2 3.39Å; L66-Y70 PolarHBondContact O-N 3.5Å |
| 67 | E | 48.6 | Very low | 48.6 | Very low | 124 Ų | 124 | 114.2 Ų | 114.2 | 58% | 0.579 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -63.3 | -44.6 | 176.3 | -167.5 | 169.5 | -164.2 | 0 | 0 | 111.3 | Q63 T69 Y70 Q71 | Q63-E67 VanDerWaalsContact O-CB 3.27Å; Q63-E67 WeakPolarHBondContact O-CB 3.3Å; Q63-E67 PolarHBondContact O-N 3.27Å; E67-T69 VanDerWaalsContact C-N 3.32Å; E67-T69 PolarHBondContact O-N 3.49Å; E67-Y70 PolarHBondContact O-N 3.41Å; E67-Q71 WeakPolarHBondContact O-CB 3.28Å; E67-Q71 WeakPolarHBondContact O-CG 3.42Å; E67-Q71 PolarHBondContact O-N 2.96Å |
| 68 | N | 53.5 | Low | 49.2 | Very low | 114 Ų | 114 | 112.8 Ų | 112.8 | 61% | 0.61 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65 | -34.1 | 174.3 | -78.1 | 0.5 | 0 | 0 | 0 | 112.9 | S64 N72 | S64-N68 VanDerWaalsContact O-CB 3.31Å; S64-N68 WeakPolarHBondContact O-CB 3.25Å; S64-N68 VanDerWaalsContact O-CG 3.29Å; S64-N68 PolarHBondContact O-N 2.96Å; N68-N72 WeakPolarHBondContact O-CB 3.33Å; N68-N72 PolarHBondContact O-N 3.29Å |
| 69 | T | 53.1 | Low | 49.3 | Very low | 63 Ų | 63 | 113.7 Ų | 113.7 | 39% | 0.387 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -73.1 | -37.7 | 178.9 | -54.2 | 0 | 0 | 0 | 0 | 111.5 | I65 L66 E67 Q73 | I65-T69 WeakPolarHBondContact O-CB 3.23Å; I65-T69 PolarHBondContact O-N 3.03Å; I65-T69 PolarHBondContact O-OG1 2.94Å; L66-T69 PolarHBondContact O-N 3.33Å; E67-T69 VanDerWaalsContact C-N 3.32Å; E67-T69 PolarHBondContact O-N 3.49Å; T69-Q73 WeakPolarHBondContact O-CB 3.24Å; T69-Q73 VanDerWaalsContact O-CG 3.31Å; T69-Q73 WeakPolarHBondContact O-CG 3.26Å; T69-Q73 PolarHBondContact O-N 2.92Å; T69-Q73 VanDerWaalsContact O-N 3.11Å |
| 70 | Y | 49 | Very low | 49.6 | Very low | 147 Ų | 147 | 115.7 Ų | 115.7 | 58% | 0.576 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -67.4 | -41.4 | 173.2 | -92.6 | -86.7 | 0 | 0 | 0 | 111.7 | L66 E67 Q73 T74 | L66-Y70 HydrophobicContact CD1-CD2 4.44Å; L66-Y70 HydrophobicContact CD1-CE2 4.2Å; L66-Y70 HydrophobicContact CD2-CE2 4.47Å; L66-Y70 HydrophobicContact CG-CD2 4.02Å; L66-Y70 HydrophobicContact CG-CE2 4.02Å; L66-Y70 WeakPolarHBondContact O-CD2 3.39Å; L66-Y70 PolarHBondContact O-N 3.5Å; E67-Y70 PolarHBondContact O-N 3.41Å; Y70-Q73 PolarHBondContact O-N 3.46Å; Y70-T74 WeakPolarHBondContact O-CB 3.38Å; Y70-T74 PolarHBondContact O-N 3.47Å; Y70-T74 PolarHBondContact O-OG1 2.81Å |
| 71 | Q | 50.2 | Low | 49.8 | Very low | 109 Ų | 109 | 113 Ų | 113 | 51% | 0.509 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.9 | -45.4 | 177.4 | -66.6 | -66.7 | -22 | 0 | 0 | 111.6 | E67 Q73 T74 E75 | E67-Q71 WeakPolarHBondContact O-CB 3.28Å; E67-Q71 WeakPolarHBondContact O-CG 3.42Å; E67-Q71 PolarHBondContact O-N 2.96Å; Q71-Q73 VanDerWaalsContact C-N 3.33Å; Q71-Q73 PolarHBondContact O-N 3.46Å; Q71-T74 PolarHBondContact O-N 3.31Å; Q71-E75 PolarHBondContact O-N 3.02Å |
| 72 | N | 48.4 | Very low | 50 | Low | 99 Ų | 99 | 111.9 Ų | 111.9 | 53% | 0.529 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.1 | -36.6 | 177.7 | -116 | 16.6 | 0 | 0 | 0 | 113 | N68 E76 | N68-N72 WeakPolarHBondContact O-CB 3.33Å; N68-N72 PolarHBondContact O-N 3.29Å; N72-E76 PolarHBondContact O-N 3.34Å |
| 73 | Q | 51.5 | Low | 50.1 | Low | 129 Ų | 129 | 111.6 Ų | 111.6 | 60% | 0.603 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -77.9 | -23.6 | 179.2 | -72.7 | -175.7 | -3.7 | 0 | 0 | 113.3 | T69 Y70 Q71 | T69-Q73 WeakPolarHBondContact O-CB 3.24Å; T69-Q73 VanDerWaalsContact O-CG 3.31Å; T69-Q73 WeakPolarHBondContact O-CG 3.26Å; T69-Q73 PolarHBondContact O-N 2.92Å; T69-Q73 VanDerWaalsContact O-N 3.11Å; Y70-Q73 PolarHBondContact O-N 3.46Å; Q71-Q73 VanDerWaalsContact C-N 3.33Å; Q71-Q73 PolarHBondContact O-N 3.46Å |
| 74 | T | 51.4 | Low | 50 | Low | 62 Ų | 62 | 113.1 Ų | 113.1 | 38% | 0.38 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -81.1 | -41.1 | 177.5 | -39.7 | 0 | 0 | 0 | 0 | 110.2 | Y70 Q71 E76 A77 E78 | Y70-T74 WeakPolarHBondContact O-CB 3.38Å; Y70-T74 PolarHBondContact O-N 3.47Å; Y70-T74 PolarHBondContact O-OG1 2.81Å; Q71-T74 PolarHBondContact O-N 3.31Å; T74-E76 PolarHBondContact O-N 2.92Å; T74-A77 PolarHBondContact O-N 3.33Å; T74-E78 HydrophobicContact CG2-CG 4.46Å; T74-E78 WeakPolarHBondContact CG2-OE1 3.32Å; T74-E78 WeakPolarHBondContact O-CB 3.12Å; T74-E78 WeakPolarHBondContact O-CG 3.37Å; T74-E78 PolarHBondContact O-N 3.45Å |
| 75 | E | 48.9 | Very low | 49.9 | Very low | 114 Ų | 114 | 112.4 Ų | 112.4 | 53% | 0.533 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.9 | -43.9 | 177.1 | -78.8 | -175.5 | 151.5 | 0 | 0 | 113.1 | Q71 A77 E78 E79 | Q71-E75 PolarHBondContact O-N 3.02Å; E75-A77 VanDerWaalsContact C-N 3.34Å; E75-A77 PolarHBondContact O-N 3.47Å; E75-E78 PolarHBondContact O-N 3.4Å; E75-E79 WeakPolarHBondContact O-CG 3.37Å; E75-E79 PolarHBondContact O-N 3.46Å |
| 76 | E | 49.8 | Very low | 50 | Low | 133 Ų | 133 | 111.6 Ų | 111.6 | 62% | 0.621 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -67 | -34 | -179.8 | -70.5 | -176.4 | 178.4 | 0 | 0 | 112.8 | N72 T74 | N72-E76 PolarHBondContact O-N 3.34Å; T74-E76 PolarHBondContact O-N 2.92Å |
| 77 | A | 50.2 | Low | 50.1 | Low | 59 Ų | 59 | 109.4 Ų | 109.4 | 49% | 0.488 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -75.1 | -30.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | T74 E75 L81 | T74-A77 PolarHBondContact O-N 3.33Å; E75-A77 VanDerWaalsContact C-N 3.34Å; E75-A77 PolarHBondContact O-N 3.47Å; A77-L81 PolarHBondContact O-N 3.38Å |
| 78 | E | 50.2 | Low | 50.3 | Low | 120 Ų | 120 | 105.4 Ų | 105.4 | 56% | 0.561 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -72.4 | -38.1 | 176.1 | -73.3 | 179.3 | -143.8 | 0 | 0 | 112 | T74 E75 L81 F82 | T74-E78 HydrophobicContact CG2-CG 4.46Å; T74-E78 WeakPolarHBondContact CG2-OE1 3.32Å; T74-E78 WeakPolarHBondContact O-CB 3.12Å; T74-E78 WeakPolarHBondContact O-CG 3.37Å; T74-E78 PolarHBondContact O-N 3.45Å; E75-E78 PolarHBondContact O-N 3.4Å; E78-L81 PolarHBondContact O-N 3.49Å; E78-F82 VanDerWaalsContact O-CB 3.28Å; E78-F82 WeakPolarHBondContact O-CB 3.26Å; E78-F82 PolarHBondContact O-N 3.06Å |
| 79 | E | 48 | Very low | 50.6 | Low | 137 Ų | 137 | 104.1 Ų | 104.1 | 64% | 0.64 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64.5 | -43.6 | 177.9 | -74.4 | -172.3 | 176.6 | 0 | 0 | 112.3 | E75 L81 F82 V83 | E75-E79 WeakPolarHBondContact O-CG 3.37Å; E75-E79 PolarHBondContact O-N 3.46Å; E79-L81 VanDerWaalsContact C-N 3.32Å; E79-L81 PolarHBondContact O-N 3.13Å; E79-F82 PolarHBondContact O-N 3.45Å; E79-V83 VanDerWaalsContact O-CG2 3.28Å; E79-V83 WeakPolarHBondContact O-CG2 3.44Å; E79-V83 PolarHBondContact O-N 3.28Å |
| 80 | E | 48.6 | Very low | 51.1 | Low | 157 Ų | 157 | 110 Ų | 110 | 73% | 0.734 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -66.7 | -34 | 176.5 | -68.7 | -163.2 | 169.9 | 0 | 0 | 112.6 | K84 | E80-K84 WeakPolarHBondContact O-CB 3.5Å; E80-K84 PolarHBondContact O-N 3.19Å |
| 81 | L | 49.6 | Very low | 51.7 | Low | 138 Ų | 138 | 107 Ų | 107 | 72% | 0.723 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -72.4 | -37 | 176.4 | -136.7 | 105 | 0 | 0 | 0 | 111.7 | A77 E78 E79 K84 G85 | A77-L81 PolarHBondContact O-N 3.38Å; E78-L81 PolarHBondContact O-N 3.49Å; E79-L81 VanDerWaalsContact C-N 3.32Å; E79-L81 PolarHBondContact O-N 3.13Å; L81-K84 PolarHBondContact O-N 3.29Å; L81-G85 PolarHBondContact O-N 3Å |
| 82 | F | 48.4 | Very low | 52.3 | Low | 135 Ų | 135 | 107.3 Ų | 107.3 | 59% | 0.592 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -68.8 | -39.9 | 179.9 | -157 | -96.8 | 0 | 0 | 0 | 111.8 | E78 E79 K84 G85 S86 | E78-F82 VanDerWaalsContact O-CB 3.28Å; E78-F82 WeakPolarHBondContact O-CB 3.26Å; E78-F82 PolarHBondContact O-N 3.06Å; E79-F82 PolarHBondContact O-N 3.45Å; F82-K84 VanDerWaalsContact C-N 3.34Å; F82-G85 PolarHBondContact O-N 2.93Å; F82-S86 VanDerWaalsContact O-CB 3.26Å; F82-S86 WeakPolarHBondContact O-CB 3.43Å; F82-S86 PolarHBondContact O-N 3.49Å |
| 83 | V | 48.2 | Very low | 53.1 | Low | 104 Ų | 104 | 105 Ų | 105 | 63% | 0.63 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -66.6 | -38.1 | 175.6 | 177.5 | 0 | 0 | 0 | 0 | 111.1 | E79 A87 | E79-V83 VanDerWaalsContact O-CG2 3.28Å; E79-V83 WeakPolarHBondContact O-CG2 3.44Å; E79-V83 PolarHBondContact O-N 3.28Å; V83-A87 PolarHBondContact O-N 3.39Å; V83-A87 VanDerWaalsContact O-N 3.13Å |
| 84 | K | 48.6 | Very low | 53.8 | Low | 178 Ų | 178 | 101.9 Ų | 101.9 | 77% | 0.774 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -74.1 | -33.5 | 179.4 | -153.9 | 157.3 | 178.9 | 179.4 | 0 | 112.7 | E80 L81 F82 G88 | E80-K84 WeakPolarHBondContact O-CB 3.5Å; E80-K84 PolarHBondContact O-N 3.19Å; L81-K84 PolarHBondContact O-N 3.29Å; F82-K84 VanDerWaalsContact C-N 3.34Å; K84-G88 PolarHBondContact O-N 2.94Å |
| 85 | G | 48.7 | Very low | 54.6 | Low | 40 Ų | 40 | 105 Ų | 105 | 41% | 0.412 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.9 | -47.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L81 F82 A87 G88 V89 | L81-G85 PolarHBondContact O-N 3Å; F82-G85 PolarHBondContact O-N 2.93Å; G85-A87 PolarHBondContact O-N 3.46Å; G85-G88 PolarHBondContact O-N 3.43Å; G85-V89 WeakPolarHBondContact O-CG2 3.24Å; G85-V89 PolarHBondContact O-N 2.93Å |
| 86 | S | 53.8 | Low | 55.5 | Low | 75 Ų | 75 | 102.7 Ų | 102.7 | 52% | 0.524 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.4 | -41.6 | -177.2 | -173.1 | 0 | 0 | 0 | 0 | 113.1 | F82 G88 V89 W90 | F82-S86 VanDerWaalsContact O-CB 3.26Å; F82-S86 WeakPolarHBondContact O-CB 3.43Å; F82-S86 PolarHBondContact O-N 3.49Å; S86-G88 VanDerWaalsContact C-N 3.34Å; S86-G88 PolarHBondContact O-N 3.08Å; S86-V89 PolarHBondContact O-N 3.38Å; S86-W90 PolarHBondContact O-N 3.47Å |
| 87 | A | 53 | Low | 56.5 | Low | 60 Ų | 60 | 97.7 Ų | 97.7 | 50% | 0.496 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65 | -37.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V83 G85 W90 V91 | V83-A87 PolarHBondContact O-N 3.39Å; V83-A87 VanDerWaalsContact O-N 3.13Å; G85-A87 PolarHBondContact O-N 3.46Å; A87-W90 PolarHBondContact O-N 3.29Å; A87-V91 WeakPolarHBondContact O-CG2 3.45Å; A87-V91 PolarHBondContact O-N 2.9Å |
| 88 | G | 54.3 | Low | 57.6 | Low | 41 Ų | 41 | 98.2 Ų | 98.2 | 42% | 0.423 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.9 | -38.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | K84 G85 S86 W90 V91 I92 | K84-G88 PolarHBondContact O-N 2.94Å; G85-G88 PolarHBondContact O-N 3.43Å; S86-G88 VanDerWaalsContact C-N 3.34Å; S86-G88 PolarHBondContact O-N 3.08Å; G88-W90 VanDerWaalsContact C-N 3.33Å; G88-W90 PolarHBondContact O-N 3.49Å; G88-V91 PolarHBondContact O-N 3.08Å; G88-I92 PolarHBondContact O-N 3.38Å; G88-I92 VanDerWaalsContact O-N 3.08Å |
| 89 | V | 58.9 | Low | 58.9 | Low | 86 Ų | 86 | 95.9 Ų | 95.9 | 52% | 0.521 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.5 | -35.4 | 178.6 | 179.1 | 0 | 0 | 0 | 0 | 111.6 | G85 S86 I92 S93 | G85-V89 WeakPolarHBondContact O-CG2 3.24Å; G85-V89 PolarHBondContact O-N 2.93Å; S86-V89 PolarHBondContact O-N 3.38Å; V89-I92 VanDerWaalsContact O-CG2 3.24Å; V89-I92 WeakPolarHBondContact O-CG2 3.43Å; V89-S93 VanDerWaalsContact O-CB 3.26Å; V89-S93 WeakPolarHBondContact O-CB 3.44Å; V89-S93 PolarHBondContact O-N 2.92Å |
| 90 | W | 63.4 | Low | 60.1 | Low | 187 Ų | 187 | 93.7 Ų | 93.7 | 71% | 0.708 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -67.9 | -43.1 | 176.9 | -162.2 | 72.8 | 0 | 0 | 0 | 111.8 | S86 A87 G88 S93 V94 | S86-W90 PolarHBondContact O-N 3.47Å; A87-W90 PolarHBondContact O-N 3.29Å; G88-W90 VanDerWaalsContact C-N 3.33Å; G88-W90 PolarHBondContact O-N 3.49Å; W90-S93 PolarHBondContact O-N 3.15Å; W90-V94 HydrophobicContact CD2-CG2 4.09Å; W90-V94 HydrophobicContact CE3-CG2 4.28Å; W90-V94 HydrophobicContact CH2-CG2 4.41Å; W90-V94 HydrophobicContact CZ2-CG2 4.21Å; W90-V94 HydrophobicContact CZ3-CG2 4.44Å; W90-V94 VanDerWaalsContact O-CG2 3.29Å; W90-V94 WeakPolarHBondContact O-CG2 3.46Å; W90-V94 PolarHBondContact O-N 3.05Å |
| 91 | V | 62.5 | Low | 61.1 | Low | 83 Ų | 83 | 91 Ų | 91 | 50% | 0.503 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.6 | -44.4 | 178.8 | 177.5 | 0 | 0 | 0 | 0 | 111.5 | A87 G88 S93 V94 M95 | A87-V91 WeakPolarHBondContact O-CG2 3.45Å; A87-V91 PolarHBondContact O-N 2.9Å; G88-V91 PolarHBondContact O-N 3.08Å; V91-S93 VanDerWaalsContact C-N 3.33Å; V91-S93 PolarHBondContact O-N 3.38Å; V91-V94 PolarHBondContact O-N 3.36Å; V91-M95 WeakPolarHBondContact O-CB 3.28Å; V91-M95 WeakPolarHBondContact O-CG 3.38Å; V91-M95 PolarHBondContact O-N 2.97Å |
| 92 | I | 62.4 | Low | 62.2 | Low | 116 Ų | 116 | 88.1 Ų | 88.1 | 60% | 0.595 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.7 | -36.6 | 177.9 | -164.7 | 67.3 | 0 | 0 | 0 | 111.5 | G88 V89 M95 S96 | G88-I92 PolarHBondContact O-N 3.38Å; G88-I92 VanDerWaalsContact O-N 3.08Å; V89-I92 VanDerWaalsContact O-CG2 3.24Å; V89-I92 WeakPolarHBondContact O-CG2 3.43Å; I92-M95 PolarHBondContact O-N 3.31Å; I92-S96 VanDerWaalsContact O-CB 3.28Å; I92-S96 WeakPolarHBondContact O-CB 3.29Å; I92-S96 PolarHBondContact O-N 3.33Å |
| 93 | S | 63.9 | Low | 63.5 | Low | 50 Ų | 50 | 86.2 Ų | 86.2 | 35% | 0.35 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.8 | -43.1 | 176 | -174.8 | 0 | 0 | 0 | 0 | 111.9 | V89 W90 V91 G97 | V89-S93 VanDerWaalsContact O-CB 3.26Å; V89-S93 WeakPolarHBondContact O-CB 3.44Å; V89-S93 PolarHBondContact O-N 2.92Å; W90-S93 PolarHBondContact O-N 3.15Å; V91-S93 VanDerWaalsContact C-N 3.33Å; V91-S93 PolarHBondContact O-N 3.38Å; S93-G97 PolarHBondContact O-N 3.06Å |
| 94 | V | 67.1 | Low | 64.5 | Low | 65 Ų | 65 | 83.9 Ų | 83.9 | 39% | 0.394 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.8 | -42.1 | 178.4 | 173 | 0 | 0 | 0 | 0 | 111 | W90 V91 G97 T98 | W90-V94 HydrophobicContact CD2-CG2 4.09Å; W90-V94 HydrophobicContact CE3-CG2 4.28Å; W90-V94 HydrophobicContact CH2-CG2 4.41Å; W90-V94 HydrophobicContact CZ2-CG2 4.21Å; W90-V94 HydrophobicContact CZ3-CG2 4.44Å; W90-V94 VanDerWaalsContact O-CG2 3.29Å; W90-V94 WeakPolarHBondContact O-CG2 3.46Å; W90-V94 PolarHBondContact O-N 3.05Å; V91-V94 PolarHBondContact O-N 3.36Å; V94-G97 PolarHBondContact O-N 3.36Å; V94-T98 WeakPolarHBondContact O-CG2 3.38Å; V94-T98 PolarHBondContact O-N 3.47Å; V94-T98 PolarHBondContact O-OG1 3.01Å; V94-T98 VanDerWaalsContact O-OG1 3.11Å |
| 95 | M | 67.8 | Low | 65.6 | Low | 126 Ų | 126 | 82.2 Ų | 82.2 | 62% | 0.621 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65 | -42.7 | 176.7 | -74.9 | -65.2 | -171.5 | 0 | 0 | 112.2 | V91 I92 T98 C99 | V91-M95 WeakPolarHBondContact O-CB 3.28Å; V91-M95 WeakPolarHBondContact O-CG 3.38Å; V91-M95 PolarHBondContact O-N 2.97Å; I92-M95 PolarHBondContact O-N 3.31Å; M95-T98 PolarHBondContact O-OG1 3.35Å; M95-C99 PolarHBondContact O-N 3.15Å |
| 96 | S | 68.7 | Low | 66.9 | Low | 66 Ų | 66 | 84.9 Ų | 84.9 | 46% | 0.462 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.8 | -42.8 | 176.3 | -176.2 | 0 | 0 | 0 | 0 | 111.8 | I92 C99 I100 | I92-S96 VanDerWaalsContact O-CB 3.28Å; I92-S96 WeakPolarHBondContact O-CB 3.29Å; I92-S96 PolarHBondContact O-N 3.33Å; S96-C99 WeakPolarHBondContact O-CB 3.5Å; S96-C99 PolarHBondContact O-N 3.34Å; S96-I100 WeakPolarHBondContact O-CG1 3.44Å; S96-I100 PolarHBondContact O-N 3.11Å; S96-I100 VanDerWaalsContact O-N 3.15Å |
| 97 | G | 69.6 | Low | 67.8 | Low | 29 Ų | 29 | 84.8 Ų | 84.8 | 30% | 0.299 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.8 | -42.3 | -180 | 0 | 0 | 0 | 0 | 0 | 113.6 | S93 V94 C99 I100 L101 | S93-G97 PolarHBondContact O-N 3.06Å; V94-G97 PolarHBondContact O-N 3.36Å; G97-C99 VanDerWaalsContact C-N 3.33Å; G97-C99 PolarHBondContact O-N 3.35Å; G97-I100 PolarHBondContact O-N 3.44Å; G97-L101 WeakPolarHBondContact O-CG 3.37Å; G97-L101 PolarHBondContact O-N 3.49Å |
| 98 | T | 74.3 | Confident | 68.3 | Low | 69 Ų | 69 | 90.5 Ų | 90.5 | 42% | 0.423 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.5 | -36.3 | 177.8 | 53 | 0 | 0 | 0 | 0 | 112.2 | V94 M95 L101 T102 | V94-T98 WeakPolarHBondContact O-CG2 3.38Å; V94-T98 PolarHBondContact O-N 3.47Å; V94-T98 PolarHBondContact O-OG1 3.01Å; V94-T98 VanDerWaalsContact O-OG1 3.11Å; M95-T98 PolarHBondContact O-OG1 3.35Å; T98-L101 PolarHBondContact O-N 2.89Å; T98-T102 WeakPolarHBondContact O-CB 3.34Å; T98-T102 PolarHBondContact O-N 3.43Å; T98-T102 PolarHBondContact O-OG1 3.47Å |
| 99 | C | 76.8 | Confident | 68.7 | Low | 71 Ų | 71 | 90.6 Ų | 90.6 | 48% | 0.48 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.2 | -48 | 174.3 | -171.4 | 0 | 0 | 0 | 0 | 111.7 | M95 S96 G97 L101 T102 I103 | M95-C99 PolarHBondContact O-N 3.15Å; S96-C99 WeakPolarHBondContact O-CB 3.5Å; S96-C99 PolarHBondContact O-N 3.34Å; G97-C99 VanDerWaalsContact C-N 3.33Å; G97-C99 PolarHBondContact O-N 3.35Å; C99-L101 PolarHBondContact O-N 3.46Å; C99-T102 PolarHBondContact O-N 3.02Å; C99-I103 WeakPolarHBondContact O-CG1 3.32Å; C99-I103 PolarHBondContact O-N 2.94Å; C99-I103 VanDerWaalsContact O-N 3.07Å |
| 100 | I | 73.4 | Confident | 68.6 | Low | 91 Ų | 91 | 91.6 Ų | 91.6 | 47% | 0.467 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.9 | -43.8 | 178.6 | -64.7 | 163.2 | 0 | 0 | 0 | 111 | S96 G97 T102 I103 A104 | S96-I100 WeakPolarHBondContact O-CG1 3.44Å; S96-I100 PolarHBondContact O-N 3.11Å; S96-I100 VanDerWaalsContact O-N 3.15Å; G97-I100 PolarHBondContact O-N 3.44Å; I100-T102 VanDerWaalsContact C-N 3.34Å; I100-T102 PolarHBondContact O-N 3Å; I100-I103 PolarHBondContact O-N 3.48Å; I100-A104 PolarHBondContact O-N 3.04Å |
| 101 | L | 70 | Confident | 68.3 | Low | 100 Ų | 100 | 89.2 Ų | 89.2 | 52% | 0.524 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.5 | -42.7 | 176.8 | -74.2 | 171 | 0 | 0 | 0 | 111.7 | G97 T98 C99 I103 A104 F105 | G97-L101 WeakPolarHBondContact O-CG 3.37Å; G97-L101 PolarHBondContact O-N 3.49Å; T98-L101 PolarHBondContact O-N 2.89Å; C99-L101 PolarHBondContact O-N 3.46Å; L101-I103 VanDerWaalsContact C-N 3.34Å; L101-I103 PolarHBondContact O-N 3.26Å; L101-A104 WeakPolarHBondContact O-CB 3.37Å; L101-A104 PolarHBondContact O-N 3.23Å; L101-A104 VanDerWaalsContact O-N 3.14Å; L101-F105 HydrophobicContact CB-CE2 4.47Å; L101-F105 WeakPolarHBondContact O-CD2 3.46Å; L101-F105 PolarHBondContact O-N 3.41Å |
| 102 | T | 72.9 | Confident | 67.7 | Low | 78 Ų | 78 | 89.2 Ų | 89.2 | 48% | 0.479 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61 | -44.4 | 178.9 | -55.4 | 0 | 0 | 0 | 0 | 111.2 | T98 C99 I100 A104 F105 I106 | T98-T102 WeakPolarHBondContact O-CB 3.34Å; T98-T102 PolarHBondContact O-N 3.43Å; T98-T102 PolarHBondContact O-OG1 3.47Å; C99-T102 PolarHBondContact O-N 3.02Å; I100-T102 VanDerWaalsContact C-N 3.34Å; I100-T102 PolarHBondContact O-N 3Å; T102-A104 VanDerWaalsContact C-N 3.31Å; T102-A104 PolarHBondContact O-N 3.45Å; T102-F105 PolarHBondContact O-N 3.14Å; T102-I106 HydrophobicContact CG2-CD1 4.04Å; T102-I106 VanDerWaalsContact O-CG1 3.32Å; T102-I106 WeakPolarHBondContact O-CG1 3.29Å; T102-I106 PolarHBondContact O-N 3.31Å |
| 103 | I | 75.5 | Confident | 67 | Low | 96 Ų | 96 | 92.3 Ų | 92.3 | 49% | 0.492 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61 | -42.9 | 175.5 | -63.7 | 159.2 | 0 | 0 | 0 | 110.2 | C99 I100 L101 F105 I106 V107 | C99-I103 WeakPolarHBondContact O-CG1 3.32Å; C99-I103 PolarHBondContact O-N 2.94Å; C99-I103 VanDerWaalsContact O-N 3.07Å; I100-I103 PolarHBondContact O-N 3.48Å; L101-I103 VanDerWaalsContact C-N 3.34Å; L101-I103 PolarHBondContact O-N 3.26Å; I103-F105 PolarHBondContact O-N 3.07Å; I103-I106 PolarHBondContact O-N 3.45Å; I103-V107 HydrophobicContact CG2-CG2 4.35Å; I103-V107 VanDerWaalsContact O-CG2 3.29Å; I103-V107 WeakPolarHBondContact O-CG2 3.49Å; I103-V107 PolarHBondContact O-N 3.42Å |
| 104 | A | 69.3 | Low | 66.2 | Low | 54 Ų | 54 | 92.9 Ų | 92.9 | 45% | 0.446 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.3 | -40 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | I100 L101 T102 V107 R108 | I100-A104 PolarHBondContact O-N 3.04Å; L101-A104 WeakPolarHBondContact O-CB 3.37Å; L101-A104 PolarHBondContact O-N 3.23Å; L101-A104 VanDerWaalsContact O-N 3.14Å; T102-A104 VanDerWaalsContact C-N 3.31Å; T102-A104 PolarHBondContact O-N 3.45Å; A104-V107 PolarHBondContact O-N 2.93Å; A104-R108 WeakPolarHBondContact O-CB 3.34Å; A104-R108 PolarHBondContact O-N 2.88Å |
| 105 | F | 72.4 | Confident | 65.4 | Low | 144 Ų | 144 | 96.3 Ų | 96.3 | 63% | 0.632 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.5 | -41.7 | 174.8 | -81 | -69.2 | 0 | 0 | 0 | 112.1 | L101 T102 I103 R108 G109 | L101-F105 HydrophobicContact CB-CE2 4.47Å; L101-F105 WeakPolarHBondContact O-CD2 3.46Å; L101-F105 PolarHBondContact O-N 3.41Å; T102-F105 PolarHBondContact O-N 3.14Å; I103-F105 PolarHBondContact O-N 3.07Å; F105-R108 PolarHBondContact O-N 2.74Å; F105-G109 PolarHBondContact O-N 3.45Å |
| 106 | I | 75.3 | Confident | 64.3 | Low | 96 Ų | 96 | 93.8 Ų | 93.8 | 49% | 0.492 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.4 | -47.5 | 175.7 | -67.3 | 165.8 | 0 | 0 | 0 | 110.2 | T102 I103 R108 G109 L110 | T102-I106 HydrophobicContact CG2-CD1 4.04Å; T102-I106 VanDerWaalsContact O-CG1 3.32Å; T102-I106 WeakPolarHBondContact O-CG1 3.29Å; T102-I106 PolarHBondContact O-N 3.31Å; I103-I106 PolarHBondContact O-N 3.45Å; I106-R108 VanDerWaalsContact C-N 3.33Å; I106-R108 PolarHBondContact O-N 2.98Å; I106-G109 CarbonylContact O-C 3.59Å; I106-G109 PolarHBondContact O-N 3.29Å; I106-L110 HydrophobicContact CG2-CD1 3.79Å; I106-L110 HydrophobicContact CG2-CG 4.16Å; I106-L110 WeakPolarHBondContact O-CB 3.48Å; I106-L110 VanDerWaalsContact O-CG 3.27Å; I106-L110 WeakPolarHBondContact O-CG 3.46Å; I106-L110 PolarHBondContact O-N 3.46Å |
| 107 | V | 72.7 | Confident | 63.4 | Low | 73 Ų | 73 | 98.8 Ų | 98.8 | 44% | 0.442 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.8 | -41.3 | 178.7 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | I103 A104 L110 F111 | I103-V107 HydrophobicContact CG2-CG2 4.35Å; I103-V107 VanDerWaalsContact O-CG2 3.29Å; I103-V107 WeakPolarHBondContact O-CG2 3.49Å; I103-V107 PolarHBondContact O-N 3.42Å; A104-V107 PolarHBondContact O-N 2.93Å; V107-L110 PolarHBondContact O-N 3.39Å; V107-F111 HydrophobicContact CG1-CD2 4.39Å; V107-F111 WeakPolarHBondContact O-CB 3.27Å; V107-F111 PolarHBondContact O-N 2.86Å |
| 108 | R | 64.3 | Low | 62.4 | Low | 180 Ų | 180 | 105.4 Ų | 105.4 | 68% | 0.679 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.9 | -38.1 | 175.7 | -166.1 | 178 | -176.3 | 169.1 | 0.3 | 112.2 | A104 F105 I106 S112 | A104-R108 WeakPolarHBondContact O-CB 3.34Å; A104-R108 PolarHBondContact O-N 2.88Å; F105-R108 PolarHBondContact O-N 2.74Å; I106-R108 VanDerWaalsContact C-N 3.33Å; I106-R108 PolarHBondContact O-N 2.98Å; R108-S112 VanDerWaalsContact O-CB 3.31Å; R108-S112 WeakPolarHBondContact O-CB 3.1Å; R108-S112 PolarHBondContact O-N 2.97Å |
| 109 | G | 61.5 | Low | 61 | Low | 42 Ų | 42 | 108.7 Ų | 108.7 | 43% | 0.433 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -67.6 | -37.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | F105 I106 R113 | F105-G109 PolarHBondContact O-N 3.45Å; I106-G109 CarbonylContact O-C 3.59Å; I106-G109 PolarHBondContact O-N 3.29Å; G109-R113 PolarHBondContact O-N 3.38Å; G109-R113 VanDerWaalsContact O-N 3.09Å |
| 110 | L | 58 | Low | 59.3 | Low | 108 Ų | 108 | 108.3 Ų | 108.3 | 57% | 0.565 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -69.6 | -43 | 174.7 | -73 | 174.1 | 0 | 0 | 0 | 111.5 | I106 V107 R113 A114 | I106-L110 HydrophobicContact CG2-CD1 3.79Å; I106-L110 HydrophobicContact CG2-CG 4.16Å; I106-L110 WeakPolarHBondContact O-CB 3.48Å; I106-L110 VanDerWaalsContact O-CG 3.27Å; I106-L110 WeakPolarHBondContact O-CG 3.46Å; I106-L110 PolarHBondContact O-N 3.46Å; V107-L110 PolarHBondContact O-N 3.39Å; L110-R113 PolarHBondContact O-N 3.42Å; L110-A114 WeakPolarHBondContact O-CB 2.9Å; L110-A114 PolarHBondContact O-N 2.87Å |
| 111 | F | 56.1 | Low | 58.3 | Low | 136 Ų | 136 | 109.3 Ų | 109.3 | 60% | 0.596 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -60.8 | -48.5 | 172.3 | -107.9 | -91.4 | 0 | 0 | 0 | 110.3 | V107 R113 A114 E115 | V107-F111 HydrophobicContact CG1-CD2 4.39Å; V107-F111 WeakPolarHBondContact O-CB 3.27Å; V107-F111 PolarHBondContact O-N 2.86Å; F111-R113 PolarHBondContact O-N 2.88Å; F111-A114 WeakPolarHBondContact O-CA 3.38Å; F111-A114 WeakPolarHBondContact O-CB 3.46Å; F111-A114 PolarHBondContact O-N 3.03Å; F111-E115 WeakPolarHBondContact O-CG 3.31Å; F111-E115 PolarHBondContact O-N 2.91Å |
| 112 | S | 49.5 | Very low | 57.4 | Low | 83 Ų | 83 | 111.1 Ų | 111.1 | 58% | 0.58 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -58.2 | -23.3 | 176.5 | -166.1 | 0 | 0 | 0 | 0 | 114.1 | R108 | R108-S112 VanDerWaalsContact O-CB 3.31Å; R108-S112 WeakPolarHBondContact O-CB 3.1Å; R108-S112 PolarHBondContact O-N 2.97Å |
| 113 | R | 48.7 | Very low | 55.9 | Low | 182 Ų | 182 | 115.3 Ų | 115.3 | 69% | 0.687 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -90.7 | -26.5 | 173.4 | -155.8 | 175.7 | -173.7 | -168.5 | 1.1 | 112.7 | G109 L110 F111 F117 | G109-R113 PolarHBondContact O-N 3.38Å; G109-R113 VanDerWaalsContact O-N 3.09Å; L110-R113 PolarHBondContact O-N 3.42Å; F111-R113 PolarHBondContact O-N 2.88Å; R113-F117 WeakPolarHBondContact O-CD2 3.37Å |
| 114 | A | 47 | Very low | 54.6 | Low | 61 Ų | 61 | 118.3 Ų | 118.3 | 50% | 0.504 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -73.8 | -33.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L110 F111 A116 F117 | L110-A114 WeakPolarHBondContact O-CB 2.9Å; L110-A114 PolarHBondContact O-N 2.87Å; F111-A114 WeakPolarHBondContact O-CA 3.38Å; F111-A114 WeakPolarHBondContact O-CB 3.46Å; F111-A114 PolarHBondContact O-N 3.03Å; A114-A116 VanDerWaalsContact C-N 3.25Å; A114-A116 PolarHBondContact O-N 3.19Å; A114-F117 PolarHBondContact O-N 3.09Å |
| 115 | E | 48.9 | Very low | 53.5 | Low | 138 Ų | 138 | 124.7 Ų | 124.7 | 65% | 0.645 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -71.8 | -21.8 | 175.8 | -13.6 | -165.6 | 176.3 | 0 | 0 | 111.8 | F111 F117 | F111-E115 WeakPolarHBondContact O-CG 3.31Å; F111-E115 PolarHBondContact O-N 2.91Å; E115-F117 VanDerWaalsContact C-N 3.32Å; E115-F117 PolarHBondContact O-N 2.77Å |
| 116 | A | 46.5 | Very low | 51.9 | Low | 73 Ų | 73 | 120.6 Ų | 120.6 | 60% | 0.603 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -81.6 | -2.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | A114 | A114-A116 VanDerWaalsContact C-N 3.25Å; A114-A116 PolarHBondContact O-N 3.19Å |
| 117 | F | 49.1 | Very low | 50.2 | Low | 171 Ų | 171 | 122.2 Ų | 122.2 | 75% | 0.75 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -124.9 | 13 | 177.4 | -74.4 | -74.8 | 0 | 0 | 0 | 113.7 | R113 A114 E115 | R113-F117 WeakPolarHBondContact O-CD2 3.37Å; A114-F117 PolarHBondContact O-N 3.09Å; E115-F117 VanDerWaalsContact C-N 3.32Å; E115-F117 PolarHBondContact O-N 2.77Å |
| 118 | H | 47.4 | Very low | 48.8 | Very low | 167 Ų | 167 | 124.9 Ų | 124.9 | 77% | 0.773 | 67% | 0.673 | S | S | * | * | trans | -120.6 | 32.3 | -178.3 | -149.9 | -100.5 | 0 | 0 | 0 | 113 | G120 | H118-G120 VanDerWaalsContact C-N 3.28Å; H118-G120 PolarHBondContact O-N 3.19Å | ||
| 119 | D | 46.3 | Very low | 48.2 | Very low | 138 Ų | 138 | 123 Ų | 123 | 74% | 0.738 | 67% | 0.674 | S | S | * | * | trans | -88.7 | 73.5 | 163 | -164.7 | 8.9 | 0 | 0 | 0 | 109 | ||||
| 120 | G | 40.6 | Very low | 47.2 | Very low | 63 Ų | 63 | 129.4 Ų | 129.4 | 65% | 0.649 | 70% | 0.699 | S | S | * | * | trans | -85.7 | 94.8 | 163 | 0 | 0 | 0 | 0 | 0 | 108 | H118 E122 | H118-G120 VanDerWaalsContact C-N 3.28Å; H118-G120 PolarHBondContact O-N 3.19Å; G120-E122 PolarHBondContact O-N 2.84Å | ||
| 121 | T | 53.1 | Low | 46.4 | Very low | 113 Ų | 113 | 128.1 Ų | 128.1 | 69% | 0.693 | 71% | 0.712 | S | S | * | * | trans | -70.3 | 81.2 | 170.1 | 32.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 122 | E | 51.5 | Low | 45.9 | Very low | 137 Ų | 137 | 124.9 Ų | 124.9 | 64% | 0.64 | 72% | 0.716 | S | S | * | * | 47.2 | 90.1 | 125.5 | -54 | -179.1 | -131.4 | 0 | 0 | 117.2 | G120 H124 | G120-E122 PolarHBondContact O-N 2.84Å; E122-H124 VanDerWaalsContact C-N 3.33Å; E122-H124 PolarHBondContact O-N 2.85Å; E122-H124 IonicContact OE2-CD2 3.75Å; E122-H124 IonicContact OE2-CE1 3.82Å; E122-H124 IonicContact OE2-NE2 2.85Å; E122-H124 PolarHBondContact OE2-NE2 3.02Å | |||
| 123 | N | 41.4 | Very low | 45.5 | Very low | 167 Ų | 167 | 129.5 Ų | 129.5 | 89% | 0.893 | 73% | 0.733 | S | S | * | * | trans | -64.1 | 86.2 | 159 | -64.5 | -47.6 | 0 | 0 | 0 | 110.5 | H125 | N123-H125 VanDerWaalsContact C-N 3.28Å; N123-H125 PolarHBondContact O-N 3.04Å | ||
| 124 | H | 48.1 | Very low | 45.3 | Very low | 159 Ų | 159 | 127.8 Ų | 127.8 | 74% | 0.736 | 74% | 0.736 | S | S | * | * | trans | -79.6 | 80.7 | 167 | -77.7 | -66.1 | 0 | 0 | 0 | 110.1 | E122 G126 | E122-H124 VanDerWaalsContact C-N 3.33Å; E122-H124 PolarHBondContact O-N 2.85Å; E122-H124 IonicContact OE2-CD2 3.75Å; E122-H124 IonicContact OE2-CE1 3.82Å; E122-H124 IonicContact OE2-NE2 2.85Å; E122-H124 PolarHBondContact OE2-NE2 3.02Å; H124-G126 PolarHBondContact O-N 2.94Å | ||
| 125 | H | 45 | Very low | 44.9 | Very low | 187 Ų | 187 | 129.1 Ų | 129.1 | 87% | 0.866 | 76% | 0.756 | S | S | * | * | trans | -76.5 | 108.5 | 165.9 | -168.3 | 125.2 | 0 | 0 | 0 | 108.9 | N123 | N123-H125 VanDerWaalsContact C-N 3.28Å; N123-H125 PolarHBondContact O-N 3.04Å | ||
| 126 | G | 38.4 | Very low | 44.4 | Very low | 58 Ų | 58 | 125.2 Ų | 125.2 | 60% | 0.598 | 75% | 0.753 | S | S | * | * | trans | 91.8 | 136.1 | 151.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | H124 | H124-G126 PolarHBondContact O-N 2.94Š| ||
| 127 | T | 40.4 | Very low | 44 | Very low | 131 Ų | 131 | 129.9 Ų | 129.9 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | 119.6 | 106.3 | 155.9 | -45.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 128 | D | 43.9 | Very low | 43.7 | Very low | 129 Ų | 129 | 125.1 Ų | 125.1 | 69% | 0.69 | 77% | 0.767 | S | S | * | * | trans | 64.2 | 152.6 | 157 | 97.3 | 30.4 | 0 | 0 | 0 | 116.3 | ||||
| 129 | I | 51.5 | Low | 43.4 | Very low | 139 Ų | 139 | 127.8 Ų | 127.8 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | cis | -137.7 | 151.7 | 7.9 | 31.2 | -87.2 | 0 | 0 | 0 | 107.1 | G131 | I129-G131 PolarHBondContact O-N 2.83Š| ||
| 130 | N | 40.9 | Very low | 43.3 | Very low | 178 Ų | 178 | 125.4 Ų | 125.4 | 95% | 0.952 | 78% | 0.776 | S | S | * | * | trans | -37.4 | 110.3 | 159.4 | -80.2 | -37.7 | 0 | 0 | 0 | 112.5 | ||||
| 131 | G | 40.5 | Very low | 43.4 | Very low | 81 Ų | 81 | 128.1 Ų | 128.1 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | trans | 159 | 100.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | I129 | I129-G131 PolarHBondContact O-N 2.83Š| ||
| 132 | G | 44.5 | Very low | 42.7 | Very low | 67 Ų | 67 | 126.7 Ų | 126.7 | 69% | 0.691 | 79% | 0.793 | S | S | * | * | trans | 119.5 | 57.2 | 164.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | I134 | G132-I134 PolarHBondContact O-N 2.87Š| ||
| 133 | L | 41.7 | Very low | 42.1 | Very low | 180 Ų | 180 | 123.8 Ų | 123.8 | 94% | 0.942 | 80% | 0.8 | S | S | * | * | trans | -69 | 74.9 | 154.1 | -177 | 66.2 | 0 | 0 | 0 | 108.4 | ||||
| 134 | I | 45.5 | Very low | 42.3 | Very low | 146 Ų | 146 | 120.6 Ų | 120.6 | 75% | 0.749 | 80% | 0.796 | S | S | * | * | trans | -132.3 | 87.4 | 165.1 | -62.3 | 177.8 | 0 | 0 | 0 | 105.3 | G132 G136 | G132-I134 PolarHBondContact O-N 2.87Å; I134-G136 PolarHBondContact O-N 2.88Å | ||
| 135 | G | 37.7 | Very low | 42.1 | Very low | 89 Ų | 89 | 119.8 Ų | 119.8 | 92% | 0.918 | 80% | 0.798 | S | S | * | * | trans | -67 | 82.4 | 161 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 136 | G | 39.6 | Very low | 42.3 | Very low | 57 Ų | 57 | 119.4 Ų | 119.4 | 59% | 0.588 | 80% | 0.799 | S | S | * | * | trans | -108 | 125.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | I134 | I134-G136 PolarHBondContact O-N 2.88Š| ||
| 137 | N | 37.4 | Very low | 42.6 | Very low | 171 Ų | 171 | 120.4 Ų | 120.4 | 91% | 0.914 | 81% | 0.808 | S | S | * | * | trans | -43.8 | 137.4 | 174.2 | -65.4 | -1.6 | 0 | 0 | 0 | 114.1 | ||||
| 138 | G | 41.6 | Very low | 43 | Very low | 70 Ų | 70 | 123.1 Ų | 123.1 | 72% | 0.722 | 81% | 0.81 | S | S | * | * | trans | -158.6 | 38.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | A140 | G138-A140 PolarHBondContact O-N 3.25Š| ||
| 139 | F | 42.3 | Very low | 43.3 | Very low | 223 Ų | 223 | 124.4 Ų | 124.4 | 98% | 0.978 | 82% | 0.815 | S | S | * | * | trans | -81.5 | 94.4 | 164.5 | -72.4 | -80.7 | 0 | 0 | 0 | 108.6 | ||||
| 140 | A | 44.3 | Very low | 43.1 | Very low | 89 Ų | 89 | 123.7 Ų | 123.7 | 74% | 0.736 | 82% | 0.818 | S | S | * | * | trans | -79.9 | 143.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | G138 | G138-A140 PolarHBondContact O-N 3.25Š| ||
| 141 | S | 43 | Very low | 43.6 | Very low | 120 Ų | 120 | 121 Ų | 121 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | trans | 66 | 100.2 | 147.9 | 169.1 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 142 | G | 37.5 | Very low | 43.7 | Very low | 82 Ų | 82 | 124.5 Ų | 124.5 | 85% | 0.845 | 81% | 0.808 | S | S | * | * | 101.8 | 87.4 | 56.8 | 0 | 0 | 0 | 0 | 0 | 110 | |||||
| 143 | G | 39.5 | Very low | 43.3 | Very low | 76 Ų | 76 | 129.9 Ų | 129.9 | 78% | 0.784 | 82% | 0.817 | S | S | * | * | trans | 170.3 | 127.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 144 | A | 46 | Very low | 43.4 | Very low | 100 Ų | 100 | 131.7 Ų | 131.7 | 83% | 0.826 | 84% | 0.835 | S | S | * | * | trans | 64.6 | 98.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 145 | D | 44 | Very low | 43.2 | Very low | 143 Ų | 143 | 131 Ų | 131 | 77% | 0.765 | 84% | 0.839 | S | S | * | * | 79.7 | 97.8 | 92.5 | -169.8 | 21.8 | 0 | 0 | 0 | 111.8 | |||||
| 146 | M | 48.5 | Very low | 43.5 | Very low | 179 Ų | 179 | 133.2 Ų | 133.2 | 88% | 0.882 | 84% | 0.835 | S | S | * | * | trans | -167.2 | 105.2 | 140.5 | -87.4 | -41.9 | -169.9 | 0 | 0 | 107.7 | ||||
| 147 | G | 44.2 | Very low | 43.8 | Very low | 78 Ų | 78 | 137.4 Ų | 137.4 | 80% | 0.804 | 85% | 0.849 | S | S | * | * | trans | -59.2 | 136.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 148 | F | 48.4 | Very low | 44.1 | Very low | 189 Ų | 189 | 135.5 Ų | 135.5 | 83% | 0.829 | 85% | 0.845 | S | S | * | * | trans | -155.6 | 103.6 | 151 | -173.3 | -112.3 | 0 | 0 | 0 | 109.2 | ||||
| 149 | L | 51.1 | Low | 44.3 | Very low | 155 Ų | 155 | 139.6 Ų | 139.6 | 81% | 0.812 | 85% | 0.853 | S | S | * | * | trans | 6.2 | 104.7 | 163.8 | -62.4 | 165.8 | 0 | 0 | 0 | 117.4 | ||||
| 150 | T | 47 | Very low | 44.4 | Very low | 124 Ų | 124 | 134 Ų | 134 | 76% | 0.761 | 85% | 0.845 | S | S | * | * | trans | -58.3 | 129.2 | 149.9 | 62.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 151 | T | 50.8 | Low | 44.4 | Very low | 123 Ų | 123 | 137.2 Ų | 137.2 | 76% | 0.755 | 85% | 0.852 | S | S | * | * | 172.1 | 145.2 | 89.7 | 38.6 | 0 | 0 | 0 | 0 | 103.9 | |||||
| 152 | N | 43.5 | Very low | 44.5 | Very low | 154 Ų | 154 | 138.5 Ų | 138.5 | 82% | 0.824 | 85% | 0.853 | S | S | * | * | cis | -163.5 | 145.3 | 43.3 | -137.6 | 12.1 | 0 | 0 | 0 | 107.9 | ||||
| 153 | M | 36.4 | Very low | 45.1 | Very low | 179 Ų | 179 | 143.3 Ų | 143.3 | 88% | 0.882 | 85% | 0.854 | S | S | * | * | trans | -83.6 | 131.2 | 168.9 | -67.4 | 177.1 | -76 | 0 | 0 | 109.4 | ||||
| 154 | V | 42.3 | Very low | 45.6 | Very low | 219 Ų | 219 | 149.4 Ų | 149.4 | 100% | 1.327 | 86% | 0.86 | S | S | * | * | trans | 148.5 | 0 | 153.2 | 165.7 | 0 | 0 | 0 | 0 | 108.1 |
Retrieved 154 of 154 residues in 24.5 ms
(Link to these results)