| 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 | A | 54.3 | Low | 63.6 | Low | 130 Ų | 130 | 116.7 Ų | 116.7 | 100% | 1.074 | 64% | 0.635 | S | S | * | * | 0 | -41.6 | 0 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 2 | S | 58.7 | Low | 64.1 | Low | 89 Ų | 89 | 111.5 Ų | 111.5 | 62% | 0.622 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -63.6 | -41.6 | -176 | -37.4 | 0 | 0 | 0 | 0 | 114.7 | M4 A5 D6 | S2-M4 VanDerWaalsContact C-N 3.28Å; S2-M4 PolarHBondContact O-N 3.41Å; S2-A5 PolarHBondContact O-N 3.1Å; S2-D6 PolarHBondContact O-N 3.42Å; S2-D6 VanDerWaalsContact O-OD2 3.08Å |
| 3 | T | 64.3 | Low | 64.4 | Low | 107 Ų | 107 | 108.8 Ų | 108.8 | 66% | 0.656 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.1 | -29.5 | -176.5 | -35.8 | 0 | 0 | 0 | 0 | 114.3 | Q7 | T3-Q7 PolarHBondContact O-N 3.01Å |
| 4 | M | 69.8 | Low | 64.3 | Low | 134 Ų | 134 | 107.2 Ų | 107.2 | 66% | 0.66 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -75.8 | -42.3 | -179.8 | -148.4 | 173.5 | -150.4 | 0 | 0 | 110.5 | S2 D6 Q7 Y8 | S2-M4 VanDerWaalsContact C-N 3.28Å; S2-M4 PolarHBondContact O-N 3.41Å; M4-D6 VanDerWaalsContact C-N 3.34Å; M4-D6 PolarHBondContact O-N 3.38Å; M4-Q7 PolarHBondContact O-N 3.46Å; M4-Y8 HydrophobicContact CG-CD2 4.37Å; M4-Y8 HydrophobicContact CG-CE2 4.24Å; M4-Y8 VanDerWaalsContact O-CD2 3.29Å; M4-Y8 WeakPolarHBondContact O-CD2 3.42Å; M4-Y8 PolarHBondContact O-N 3.2Å; M4-Y8 VanDerWaalsContact O-N 3.1Å |
| 5 | A | 66.8 | Low | 64 | Low | 63 Ų | 63 | 109.1 Ų | 109.1 | 52% | 0.521 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -63.8 | -38.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S2 Y8 Q9 | S2-A5 PolarHBondContact O-N 3.1Å; A5-Y8 PolarHBondContact O-N 2.85Å; A5-Q9 WeakPolarHBondContact O-CB 3.29Å; A5-Q9 PolarHBondContact O-N 3Å |
| 6 | D | 68.3 | Low | 63.7 | Low | 104 Ų | 104 | 110.8 Ų | 110.8 | 56% | 0.556 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -66.5 | -39.9 | 177.7 | -66.6 | -41.3 | 0 | 0 | 0 | 112.4 | S2 M4 Q9 Y10 | S2-D6 PolarHBondContact O-N 3.42Å; S2-D6 VanDerWaalsContact O-OD2 3.08Å; M4-D6 VanDerWaalsContact C-N 3.34Å; M4-D6 PolarHBondContact O-N 3.38Å; D6-Q9 PolarHBondContact O-N 3.28Å; D6-Y10 WeakPolarHBondContact O-CB 3.3Å; D6-Y10 PolarHBondContact O-N 3.47Å |
| 7 | Q | 62.9 | Low | 63.5 | Low | 132 Ų | 132 | 111.4 Ų | 111.4 | 62% | 0.617 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -67.1 | -39.2 | 174.7 | -84.6 | -148.8 | -90.3 | 0 | 0 | 113.2 | T3 M4 Q9 Y10 N11 | T3-Q7 PolarHBondContact O-N 3.01Å; M4-Q7 PolarHBondContact O-N 3.46Å; Q7-Q9 VanDerWaalsContact C-N 3.34Å; Q7-Y10 PolarHBondContact O-N 3.18Å; Q7-N11 PolarHBondContact O-N 3.24Å |
| 8 | Y | 61.9 | Low | 63.2 | Low | 161 Ų | 161 | 111.2 Ų | 111.2 | 63% | 0.631 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -65.2 | -40.5 | 176.1 | -93 | -87.7 | 0 | 0 | 0 | 111.6 | M4 A5 T12 | M4-Y8 HydrophobicContact CG-CD2 4.37Å; M4-Y8 HydrophobicContact CG-CE2 4.24Å; M4-Y8 VanDerWaalsContact O-CD2 3.29Å; M4-Y8 WeakPolarHBondContact O-CD2 3.42Å; M4-Y8 PolarHBondContact O-N 3.2Å; M4-Y8 VanDerWaalsContact O-N 3.1Å; A5-Y8 PolarHBondContact O-N 2.85Å; Y8-T12 VanDerWaalsContact O-CB 3.31Å; Y8-T12 WeakPolarHBondContact O-CB 3.38Å; Y8-T12 PolarHBondContact O-N 2.98Å; Y8-T12 PolarHBondContact O-OG1 2.94Å |
| 9 | Q | 66.1 | Low | 62.8 | Low | 130 Ų | 130 | 113.8 Ų | 113.8 | 61% | 0.607 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -68.5 | -38 | 178 | -162.1 | 148.2 | -90.1 | 0 | 0 | 111.4 | A5 D6 Q7 T12 N13 | A5-Q9 WeakPolarHBondContact O-CB 3.29Å; A5-Q9 PolarHBondContact O-N 3Å; D6-Q9 PolarHBondContact O-N 3.28Å; Q7-Q9 VanDerWaalsContact C-N 3.34Å; Q9-T12 PolarHBondContact O-N 3.37Å; Q9-N13 WeakPolarHBondContact O-CB 3.38Å; Q9-N13 PolarHBondContact O-N 2.96Å; Q9-N13 PolarHBondContact O-ND2 3.36Å; Q9-N13 PolarHBondContact O-OD1 3.41Å |
| 10 | Y | 61.8 | Low | 62.4 | Low | 149 Ų | 149 | 113.5 Ų | 113.5 | 58% | 0.584 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -62.2 | -51.6 | 173.9 | -168.8 | -98 | 0 | 0 | 0 | 112.3 | D6 Q7 T12 N13 E14 | D6-Y10 WeakPolarHBondContact O-CB 3.3Å; D6-Y10 PolarHBondContact O-N 3.47Å; Q7-Y10 PolarHBondContact O-N 3.18Å; Y10-T12 VanDerWaalsContact C-N 3.32Å; Y10-T12 PolarHBondContact O-N 3.47Å; Y10-N13 PolarHBondContact O-N 3.4Å; Y10-N13 VanDerWaalsContact O-N 3.15Å; Y10-E14 HydrophobicContact CD1-CG 4.24Å; Y10-E14 HydrophobicContact CE1-CG 3.98Å; Y10-E14 WeakPolarHBondContact CE1-OE1 3.34Å; Y10-E14 VanDerWaalsContact CE1-OE2 3.28Å; Y10-E14 WeakPolarHBondContact CE1-OE2 3.31Å; Y10-E14 PolarHBondContact O-N 3.01Å; Y10-E14 PolarHBondContact OH-OE1 3.46Å |
| 11 | N | 64.6 | Low | 62.1 | Low | 85 Ų | 85 | 112.1 Ų | 112.1 | 46% | 0.455 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -60.1 | -41.4 | 176.7 | -85.2 | 1.3 | 0 | 0 | 0 | 112 | Q7 N13 E14 E15 | Q7-N11 PolarHBondContact O-N 3.24Å; N11-N13 VanDerWaalsContact C-N 3.3Å; N11-N13 PolarHBondContact O-N 2.7Å; N11-E14 PolarHBondContact O-N 3.15Å; N11-E15 WeakPolarHBondContact O-CB 3.33Å; N11-E15 VanDerWaalsContact O-CG 3.3Å; N11-E15 WeakPolarHBondContact O-CG 3.42Å; N11-E15 PolarHBondContact O-N 3.12Å |
| 12 | T | 69.8 | Low | 62 | Low | 54 Ų | 54 | 114.3 Ų | 114.3 | 33% | 0.331 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64.9 | -36 | 178.3 | -56.7 | 0 | 0 | 0 | 0 | 111.8 | Y8 Q9 Y10 K16 | Y8-T12 VanDerWaalsContact O-CB 3.31Å; Y8-T12 WeakPolarHBondContact O-CB 3.38Å; Y8-T12 PolarHBondContact O-N 2.98Å; Y8-T12 PolarHBondContact O-OG1 2.94Å; Q9-T12 PolarHBondContact O-N 3.37Å; Y10-T12 VanDerWaalsContact C-N 3.32Å; Y10-T12 PolarHBondContact O-N 3.47Å; T12-K16 HydrophobicContact CG2-CD 4.28Å; T12-K16 WeakPolarHBondContact O-CB 3.28Å; T12-K16 VanDerWaalsContact O-CG 3.24Å; T12-K16 WeakPolarHBondContact O-CG 3.34Å; T12-K16 PolarHBondContact O-N 3.04Å |
| 13 | N | 68.6 | Low | 61.8 | Low | 77 Ų | 77 | 114.7 Ų | 114.7 | 41% | 0.412 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -73.6 | -40.4 | 178.1 | -65.7 | -21.5 | 0 | 0 | 0 | 111.2 | Q9 Y10 N11 K16 I17 | Q9-N13 WeakPolarHBondContact O-CB 3.38Å; Q9-N13 PolarHBondContact O-N 2.96Å; Q9-N13 PolarHBondContact O-ND2 3.36Å; Q9-N13 PolarHBondContact O-OD1 3.41Å; Y10-N13 PolarHBondContact O-N 3.4Å; Y10-N13 VanDerWaalsContact O-N 3.15Å; N11-N13 VanDerWaalsContact C-N 3.3Å; N11-N13 PolarHBondContact O-N 2.7Å; N13-K16 PolarHBondContact O-N 2.87Å; N13-I17 WeakPolarHBondContact O-CB 3.41Å; N13-I17 WeakPolarHBondContact O-CD1 3.47Å; N13-I17 WeakPolarHBondContact O-CG1 3.24Å; N13-I17 PolarHBondContact O-N 3.26Å |
| 14 | E | 62.6 | Low | 61.7 | Low | 86 Ų | 86 | 117 Ų | 117 | 40% | 0.402 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -62.6 | -45.7 | 172.4 | -73.8 | -170.1 | 132 | 0 | 0 | 111.6 | Y10 N11 K16 I17 V18 | Y10-E14 HydrophobicContact CD1-CG 4.24Å; Y10-E14 HydrophobicContact CE1-CG 3.98Å; Y10-E14 WeakPolarHBondContact CE1-OE1 3.34Å; Y10-E14 VanDerWaalsContact CE1-OE2 3.28Å; Y10-E14 WeakPolarHBondContact CE1-OE2 3.31Å; Y10-E14 PolarHBondContact O-N 3.01Å; Y10-E14 PolarHBondContact OH-OE1 3.46Å; N11-E14 PolarHBondContact O-N 3.15Å; E14-K16 VanDerWaalsContact C-N 3.33Å; E14-K16 PolarHBondContact O-N 3.47Å; E14-I17 PolarHBondContact O-N 2.91Å; E14-V18 WeakPolarHBondContact O-CB 3.26Å; E14-V18 WeakPolarHBondContact O-CG2 3.26Å; E14-V18 PolarHBondContact O-N 3.23Å |
| 15 | E | 60.3 | Low | 61.8 | Low | 136 Ų | 136 | 119.6 Ų | 119.6 | 64% | 0.636 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -61.6 | -39.6 | 175.8 | -74.3 | -176.3 | 132.6 | 0 | 0 | 112 | N11 K19 | N11-E15 WeakPolarHBondContact O-CB 3.33Å; N11-E15 VanDerWaalsContact O-CG 3.3Å; N11-E15 WeakPolarHBondContact O-CG 3.42Å; N11-E15 PolarHBondContact O-N 3.12Å; E15-K19 VanDerWaalsContact O-CB 3.23Å; E15-K19 WeakPolarHBondContact O-CB 3.37Å; E15-K19 PolarHBondContact O-N 3.29Å |
| 16 | K | 58.5 | Low | 62.2 | Low | 136 Ų | 136 | 123.5 Ų | 123.5 | 59% | 0.591 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -67.3 | -42.5 | 174.8 | -78.6 | 176.4 | -177.6 | 177.2 | 0 | 112.4 | T12 N13 E14 K19 D20 | T12-K16 HydrophobicContact CG2-CD 4.28Å; T12-K16 WeakPolarHBondContact O-CB 3.28Å; T12-K16 VanDerWaalsContact O-CG 3.24Å; T12-K16 WeakPolarHBondContact O-CG 3.34Å; T12-K16 PolarHBondContact O-N 3.04Å; N13-K16 PolarHBondContact O-N 2.87Å; E14-K16 VanDerWaalsContact C-N 3.33Å; E14-K16 PolarHBondContact O-N 3.47Å; K16-K19 PolarHBondContact O-N 3.46Å; K16-D20 VanDerWaalsContact O-CB 3.26Å; K16-D20 WeakPolarHBondContact O-CB 3.46Å; K16-D20 PolarHBondContact O-N 2.92Å |
| 17 | I | 60.3 | Low | 62.6 | Low | 120 Ų | 120 | 123 Ų | 123 | 62% | 0.615 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -65 | -41.2 | 178.2 | -70.2 | 164.6 | 0 | 0 | 0 | 110.8 | N13 E14 S21 | N13-I17 WeakPolarHBondContact O-CB 3.41Å; N13-I17 WeakPolarHBondContact O-CD1 3.47Å; N13-I17 WeakPolarHBondContact O-CG1 3.24Å; N13-I17 PolarHBondContact O-N 3.26Å; E14-I17 PolarHBondContact O-N 2.91Å; I17-S21 WeakPolarHBondContact O-CB 3.35Å; I17-S21 PolarHBondContact O-N 2.87Å; I17-S21 VanDerWaalsContact O-N 3.15Å |
| 18 | V | 59 | Low | 63.4 | Low | 108 Ų | 108 | 122.3 Ų | 122.3 | 66% | 0.655 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -67 | -39.6 | 177.4 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | E14 | E14-V18 WeakPolarHBondContact O-CB 3.26Å; E14-V18 WeakPolarHBondContact O-CG2 3.26Å; E14-V18 PolarHBondContact O-N 3.23Å |
| 19 | K | 54.5 | Low | 64.3 | Low | 162 Ų | 162 | 122.6 Ų | 122.6 | 70% | 0.704 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -73.7 | -34.5 | -179.7 | -153.7 | 174.5 | -171.5 | 178.9 | 0 | 113.3 | E15 K16 T23 | E15-K19 VanDerWaalsContact O-CB 3.23Å; E15-K19 WeakPolarHBondContact O-CB 3.37Å; E15-K19 PolarHBondContact O-N 3.29Å; K16-K19 PolarHBondContact O-N 3.46Å; K19-T23 PolarHBondContact O-OG1 3.27Å |
| 20 | D | 54.2 | Low | 65 | Low | 107 Ų | 107 | 120.1 Ų | 120.1 | 57% | 0.572 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -70.4 | -37 | 176.6 | -167.6 | -101 | 0 | 0 | 0 | 112 | K16 H22 T23 K24 | K16-D20 VanDerWaalsContact O-CB 3.26Å; K16-D20 WeakPolarHBondContact O-CB 3.46Å; K16-D20 PolarHBondContact O-N 2.92Å; D20-H22 PolarHBondContact O-N 3.22Å; D20-T23 CarbonylContact O-C 3.58Å; D20-T23 PolarHBondContact O-N 2.81Å; D20-T23 VanDerWaalsContact O-N 3.15Å; D20-K24 PolarHBondContact O-N 3.1Å |
| 21 | S | 56.1 | Low | 65.9 | Low | 84 Ų | 84 | 122.3 Ų | 122.3 | 59% | 0.587 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -60.2 | -33.1 | 177 | -160.6 | 0 | 0 | 0 | 0 | 112.8 | I17 | I17-S21 WeakPolarHBondContact O-CB 3.35Å; I17-S21 PolarHBondContact O-N 2.87Å; I17-S21 VanDerWaalsContact O-N 3.15Å |
| 22 | H | 53.1 | Low | 66.8 | Low | 177 Ų | 177 | 119.9 Ų | 119.9 | 82% | 0.819 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | -8.6 | -178.4 | -136.9 | -77.5 | 0 | 0 | 0 | 114.1 | D20 | D20-H22 PolarHBondContact O-N 3.22Š|
| 23 | T | 53.7 | Low | 67.4 | Low | 97 Ų | 97 | 122 Ų | 122 | 60% | 0.595 | 61% | 0.611 | S | S | * | * | trans | -129.5 | 39.6 | -174.7 | -31.5 | 0 | 0 | 0 | 0 | 111.5 | K19 D20 E25 | K19-T23 PolarHBondContact O-OG1 3.27Å; D20-T23 CarbonylContact O-C 3.58Å; D20-T23 PolarHBondContact O-N 2.81Å; D20-T23 VanDerWaalsContact O-N 3.15Å; T23-E25 PolarHBondContact O-N 3.31Å | ||
| 24 | K | 63 | Low | 68.2 | Low | 156 Ų | 156 | 126.7 Ų | 126.7 | 68% | 0.678 | 63% | 0.628 | S | S | * | * | trans | -68.3 | 106.8 | 169.4 | -69.1 | -172.9 | 178.6 | 178.6 | 0 | 108.5 | D20 I26 | D20-K24 PolarHBondContact O-N 3.1Å; K24-I26 PolarHBondContact O-N 3.31Å | ||
| 25 | E | 71 | Confident | 69.1 | Low | 188 Ų | 188 | 128.3 Ų | 128.3 | 88% | 0.879 | 64% | 0.635 | S | S | * | * | trans | -57.6 | 128 | 173 | -63 | -168.2 | 123 | 0 | 0 | 109 | T23 D27 | T23-E25 PolarHBondContact O-N 3.31Å; E25-D27 PolarHBondContact O-N 3.15Å | ||
| 26 | I | 75.6 | Confident | 70.3 | Confident | 144 Ų | 144 | 127.9 Ų | 127.9 | 74% | 0.738 | 64% | 0.636 | S | S | * | * | trans | -76.2 | 122.1 | 178.9 | 50.4 | 167.2 | 0 | 0 | 0 | 109.4 | K24 L28 | K24-I26 PolarHBondContact O-N 3.31Å; I26-L28 HydrophobicContact CD1-CD2 4.02Å; I26-L28 HydrophobicContact CG1-CD2 4.38Å; I26-L28 PolarHBondContact O-N 3.36Å | ||
| 27 | D | 77.5 | Confident | 71.4 | Confident | 93 Ų | 93 | 125.2 Ų | 125.2 | 50% | 0.497 | 63% | 0.628 | S | S | . | * | trans | -73.6 | 115.1 | 172.7 | -171.3 | -14.7 | 0 | 0 | 0 | 109.6 | E25 I29 N30 | E25-D27 PolarHBondContact O-N 3.15Å; D27-I29 WeakPolarHBondContact OD1-CA 3.41Å; D27-I29 WeakPolarHBondContact OD1-CB 3.42Å; D27-I29 PolarHBondContact OD1-N 2.97Å; D27-N30 PolarHBondContact OD1-N 3.3Å; D27-N30 WeakPolarHBondContact OD2-CB 3.35Å | ||
| 28 | L | 79.9 | Confident | 72.1 | Confident | 118 Ų | 118 | 123.4 Ų | 123.4 | 62% | 0.618 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -83 | -18.6 | -179.8 | -62.4 | 176.9 | 0 | 0 | 0 | 112.7 | I26 R31 | I26-L28 HydrophobicContact CD1-CD2 4.02Å; I26-L28 HydrophobicContact CG1-CD2 4.38Å; I26-L28 PolarHBondContact O-N 3.36Å; L28-R31 PolarHBondContact O-NE 3.01Å |
| 29 | I | 79.4 | Confident | 72.6 | Confident | 168 Ų | 168 | 125.3 Ų | 125.3 | 86% | 0.862 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -90.2 | -54 | -177.3 | -56.1 | 172.4 | 0 | 0 | 0 | 109 | D27 | D27-I29 WeakPolarHBondContact OD1-CA 3.41Å; D27-I29 WeakPolarHBondContact OD1-CB 3.42Å; D27-I29 PolarHBondContact OD1-N 2.97Å |
| 30 | N | 81.3 | Confident | 73.2 | Confident | 77 Ų | 77 | 123.2 Ų | 123.2 | 41% | 0.412 | 62% | 0.624 | S | S | . | * | trans | -100.2 | 95.8 | 174.5 | -170.1 | -9 | 0 | 0 | 0 | 111.4 | D27 D32 | D27-N30 PolarHBondContact OD1-N 3.3Å; D27-N30 WeakPolarHBondContact OD2-CB 3.35Å; N30-D32 PolarHBondContact OD1-N 3.4Å; N30-D32 VanDerWaalsContact OD1-N 3.09Å; N30-D32 PolarHBondContact OD1-O 3.37Å | ||
| 31 | R | 81.2 | Confident | 73.9 | Confident | 196 Ų | 196 | 122.8 Ų | 122.8 | 74% | 0.74 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -86.5 | -6.4 | 179.4 | -61.1 | -177.4 | -178.3 | -160.7 | -3.4 | 114.1 | L28 P33 | L28-R31 PolarHBondContact O-NE 3.01Å; R31-P33 VanDerWaalsContact C-CD 3.43Å |
| 32 | D | 82.6 | Confident | 74.6 | Confident | 33 Ų | 33 | 125.2 Ų | 125.2 | 18% | 0.176 | 63% | 0.625 | C | S | . | * | trans | -127.7 | 64.5 | 174.9 | -172.7 | 13.4 | 0 | 0 | 0 | 111.1 | N30 K34 Q35 I36 N37 | N30-D32 PolarHBondContact OD1-N 3.4Å; N30-D32 VanDerWaalsContact OD1-N 3.09Å; N30-D32 PolarHBondContact OD1-O 3.37Å; D32-K34 PolarHBondContact O-N 2.95Å; D32-K34 VanDerWaalsContact O-N 3.1Å; D32-Q35 PolarHBondContact O-N 3.21Å; D32-Q35 WeakPolarHBondContact OD1-CA 3.33Å; D32-Q35 PolarHBondContact OD1-N 2.97Å; D32-Q35 VanDerWaalsContact OD2-C 3.26Å; D32-Q35 VanDerWaalsContact OD2-CA 3.28Å; D32-Q35 WeakPolarHBondContact OD2-CA 3.39Å; D32-I36 WeakPolarHBondContact OD1-CG1 3.34Å; D32-I36 PolarHBondContact OD1-N 3.45Å; D32-I36 PolarHBondContact OD2-N 3.43Å; D32-N37 PolarHBondContact OD2-N 2.86Å | ||
| 33 | P | 83.9 | Confident | 75.6 | Confident | 98 Ų | 98 | 120.5 Ų | 120.5 | 64% | 0.636 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -14.5 | -177.5 | 28 | -36.4 | 0 | 0 | 0 | 113.5 | R31 | R31-P33 VanDerWaalsContact C-CD 3.43Š|
| 34 | K | 84.2 | Confident | 76.9 | Confident | 177 Ų | 177 | 122.1 Ų | 122.1 | 77% | 0.77 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.6 | 1.9 | 178.3 | -66.4 | -175.7 | -179 | -179.4 | 0 | 112.7 | D32 I36 | D32-K34 PolarHBondContact O-N 2.95Å; D32-K34 VanDerWaalsContact O-N 3.1Å; K34-I36 HydrophobicContact CB-CG2 3.92Å; K34-I36 PolarHBondContact O-N 3.08Å; K34-I36 VanDerWaalsContact O-N 3.16Å |
| 35 | Q | 82.4 | Confident | 77.8 | Confident | 120 Ų | 120 | 115.1 Ų | 115.1 | 56% | 0.561 | 58% | 0.579 | S | S | * | * | trans | 52.4 | 35.7 | 179.8 | -60.8 | -176.5 | -66.3 | 0 | 0 | 112.8 | D32 N37 E38 | D32-Q35 PolarHBondContact O-N 3.21Å; D32-Q35 WeakPolarHBondContact OD1-CA 3.33Å; D32-Q35 PolarHBondContact OD1-N 2.97Å; D32-Q35 VanDerWaalsContact OD2-C 3.26Å; D32-Q35 VanDerWaalsContact OD2-CA 3.28Å; D32-Q35 WeakPolarHBondContact OD2-CA 3.39Å; Q35-N37 PolarHBondContact O-N 3.49Å; Q35-E38 HydrophobicContact CB-CB 4.48Å; Q35-E38 HydrophobicContact CB-CG 3.77Å; Q35-E38 HydrophobicContact CG-CG 4.09Å; Q35-E38 WeakPolarHBondContact CG-OE1 3.47Å; Q35-E38 PolarHBondContact NE2-OE1 3.41Å; Q35-E38 PolarHBondContact NE2-OE2 3.04Å | ||
| 36 | I | 84.1 | Confident | 78.3 | Confident | 126 Ų | 126 | 111 Ų | 111 | 65% | 0.646 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -19.5 | -177.6 | 52.9 | 151 | 0 | 0 | 0 | 112.5 | D32 K34 | D32-I36 WeakPolarHBondContact OD1-CG1 3.34Å; D32-I36 PolarHBondContact OD1-N 3.45Å; D32-I36 PolarHBondContact OD2-N 3.43Å; K34-I36 HydrophobicContact CB-CG2 3.92Å; K34-I36 PolarHBondContact O-N 3.08Å; K34-I36 VanDerWaalsContact O-N 3.16Å |
| 37 | N | 82.3 | Confident | 78.5 | Confident | 81 Ų | 81 | 109.3 Ų | 109.3 | 43% | 0.433 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -111.4 | 2.4 | -175.3 | -69 | 104.5 | 0 | 0 | 0 | 113.9 | D32 Q35 D39 V40 V41 | D32-N37 PolarHBondContact OD2-N 2.86Å; Q35-N37 PolarHBondContact O-N 3.49Å; N37-D39 PolarHBondContact O-N 3.15Å; N37-V40 PolarHBondContact O-N 3.2Å; N37-V41 HydrophobicContact CB-CG2 4.28Å |
| 38 | E | 75.8 | Confident | 78.6 | Confident | 81 Ų | 81 | 108.7 Ų | 108.7 | 38% | 0.379 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64 | -33.6 | -170.9 | -77.3 | -144.4 | 178.2 | 0 | 0 | 114.9 | Q35 K42 | Q35-E38 HydrophobicContact CB-CB 4.48Å; Q35-E38 HydrophobicContact CB-CG 3.77Å; Q35-E38 HydrophobicContact CG-CG 4.09Å; Q35-E38 WeakPolarHBondContact CG-OE1 3.47Å; Q35-E38 PolarHBondContact NE2-OE1 3.41Å; Q35-E38 PolarHBondContact NE2-OE2 3.04Å; E38-K42 WeakPolarHBondContact O-CD 3.31Å; E38-K42 WeakPolarHBondContact O-CE 3.44Å; E38-K42 WeakPolarHBondContact O-CG 3.39Å; E38-K42 PolarHBondContact O-NZ 3.37Å; E38-K42 IonicContact OE2-NZ 3.98Å |
| 39 | D | 68.9 | Low | 78.6 | Confident | 149 Ų | 149 | 107.3 Ų | 107.3 | 80% | 0.797 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | -10.7 | -175.7 | -61.8 | -47.7 | 0 | 0 | 0 | 113.7 | N37 | N37-D39 PolarHBondContact O-N 3.15Š|
| 40 | V | 66.6 | Low | 78.5 | Confident | 117 Ų | 117 | 103 Ų | 103 | 71% | 0.709 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | -25.9 | -169.8 | -178.5 | 0 | 0 | 0 | 0 | 112.9 | N37 | N37-V40 PolarHBondContact O-N 3.2Š|
| 41 | V | 68.8 | Low | 78.4 | Confident | 99 Ų | 99 | 102.3 Ų | 102.3 | 60% | 0.6 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -115.2 | 8.3 | -167.3 | -165.4 | 0 | 0 | 0 | 0 | 113.4 | N37 V43 | N37-V41 HydrophobicContact CB-CG2 4.28Å; V41-V43 PolarHBondContact O-N 3.49Å |
| 42 | K | 70.1 | Confident | 78.2 | Confident | 135 Ų | 135 | 97 Ų | 97 | 59% | 0.587 | 52% | 0.519 | S | S | * | . | trans | -82 | 80.8 | 173.8 | -67.8 | 173.8 | -178.6 | 145.4 | 0 | 109.4 | E38 | E38-K42 WeakPolarHBondContact O-CD 3.31Å; E38-K42 WeakPolarHBondContact O-CE 3.44Å; E38-K42 WeakPolarHBondContact O-CG 3.39Å; E38-K42 PolarHBondContact O-NZ 3.37Å; E38-K42 IonicContact OE2-NZ 3.98Å | ||
| 43 | V | 75.1 | Confident | 77.5 | Confident | 78 Ų | 78 | 103.1 Ų | 103.1 | 47% | 0.473 | 55% | 0.551 | S | S | . | * | trans | -107.7 | 112.4 | 170.9 | 179.6 | 0 | 0 | 0 | 0 | 108 | V41 D47 V48 | V41-V43 PolarHBondContact O-N 3.49Å; V43-D47 HydrophobicContact CG1-CB 4.49Å; V43-V48 HydrophobicContact CG1-CG2 3.36Å | ||
| 44 | E | 80.2 | Confident | 76.6 | Confident | 131 Ų | 131 | 102 Ų | 102 | 61% | 0.612 | 56% | 0.558 | S | S | * | * | trans | -87.2 | 163 | 178.1 | -59.1 | -168.8 | 97.3 | 0 | 0 | 111.3 | E46 D47 | E44-E46 VanDerWaalsContact C-N 3.3Å; E44-D47 WeakPolarHBondContact CB-OD2 3.5Å; E44-D47 PolarHBondContact N-OD2 3.09Å; E44-D47 WeakPolarHBondContact O-CB 3.3Å; E44-D47 PolarHBondContact O-N 3.29Å | ||
| 45 | F | 82.6 | Confident | 75.6 | Confident | 9 Ų | 9 | 98.7 Ų | 98.7 | 4% | 0.039 | 55% | 0.553 | C | S | . | * | H | α-helix | trans | -63.2 | -42.1 | 178.7 | 173.2 | -103.8 | 0 | 0 | 0 | 110.5 | D47 V48 I49 W62 Y66 F69 | F45-D47 VanDerWaalsContact C-N 3.26Å; F45-D47 PolarHBondContact O-N 3.35Å; F45-V48 PolarHBondContact O-N 3.49Å; F45-V48 VanDerWaalsContact O-N 3.14Å; F45-I49 HydrophobicContact CE2-CB 4.36Å; F45-I49 HydrophobicContact CE2-CD1 4.42Å; F45-I49 HydrophobicContact CZ-CB 4.29Å; F45-I49 PolarHBondContact O-N 3.44Å; F45-W62 HydrophobicContact CD1-CH2 4.28Å; F45-W62 HydrophobicContact CD1-CZ2 4.16Å; F45-W62 HydrophobicContact CE1-CD2 4.2Å; F45-W62 HydrophobicContact CE1-CE3 4.07Å; F45-W62 AromaticContact CE1-CH2 3.68Å; F45-W62 HydrophobicContact CE1-CH2 3.68Å; F45-W62 AromaticContact CE1-CZ2 3.79Å; F45-W62 HydrophobicContact CE1-CZ2 3.79Å; F45-W62 AromaticContact CE1-CZ3 3.79Å; F45-W62 HydrophobicContact CE1-CZ3 3.79Å; F45-W62 HydrophobicContact CZ-CZ3 4.34Å; F45-Y66 HydrophobicContact CB-CD2 3.65Å; F45-Y66 HydrophobicContact CB-CE2 4.03Å; F45-Y66 AromaticContact CD1-CD2 3.76Å; F45-Y66 HydrophobicContact CD1-CD2 3.76Å; F45-Y66 HydrophobicContact CD1-CG 4.43Å; F45-Y66 AromaticContact CG-CD2 3.81Å; F45-Y66 HydrophobicContact CG-CD2 3.81Å; F45-F69 HydrophobicContact CB-CD1 4.02Å; F45-F69 HydrophobicContact CB-CE1 4.28Å; F45-F69 HydrophobicContact CD2-CB 3.63Å; F45-F69 AromaticContact CD2-CD1 3.62Å; F45-F69 HydrophobicContact CD2-CD1 3.62Å; F45-F69 HydrophobicContact CD2-CD2 4.32Å; F45-F69 HydrophobicContact CD2-CE1 4.31Å; F45-F69 AromaticContact CD2-CG 3.61Å; F45-F69 HydrophobicContact CD2-CG 3.61Å; F45-F69 HydrophobicContact CE2-CB 3.89Å; F45-F69 HydrophobicContact CE2-CG 4.21Å; F45-F69 HydrophobicContact CG-CD1 4.29Å |
| 46 | E | 80.8 | Confident | 75.4 | Confident | 101 Ų | 101 | 99.1 Ų | 99.1 | 47% | 0.472 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63 | -27.1 | 175.1 | -65.5 | 104.8 | 140.2 | 0 | 0 | 113.4 | E44 V48 A50 W62 | E44-E46 VanDerWaalsContact C-N 3.3Å; E46-V48 VanDerWaalsContact C-N 3.29Å; E46-V48 PolarHBondContact O-N 2.93Å; E46-A50 WeakPolarHBondContact O-CB 3.5Å; E46-W62 HydrophobicContact CG-CZ2 4.24Å |
| 47 | D | 80 | Confident | 75.1 | Confident | 108 Ų | 108 | 95 Ų | 95 | 58% | 0.578 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -70.6 | -26.2 | 175.5 | -65.8 | -35.3 | 0 | 0 | 0 | 112.6 | V43 E44 F45 | V43-D47 HydrophobicContact CG1-CB 4.49Å; E44-D47 WeakPolarHBondContact CB-OD2 3.5Å; E44-D47 PolarHBondContact N-OD2 3.09Å; E44-D47 WeakPolarHBondContact O-CB 3.3Å; E44-D47 PolarHBondContact O-N 3.29Å; F45-D47 VanDerWaalsContact C-N 3.26Å; F45-D47 PolarHBondContact O-N 3.35Å |
| 48 | V | 81.4 | Confident | 75 | Confident | 80 Ų | 80 | 97.8 Ų | 97.8 | 49% | 0.485 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -98 | -41.3 | -176.5 | -176.8 | 0 | 0 | 0 | 0 | 111.2 | V43 F45 E46 F69 | V43-V48 HydrophobicContact CG1-CG2 3.36Å; F45-V48 PolarHBondContact O-N 3.49Å; F45-V48 VanDerWaalsContact O-N 3.14Å; E46-V48 VanDerWaalsContact C-N 3.29Å; E46-V48 PolarHBondContact O-N 2.93Å; V48-F69 HydrophobicContact CB-CZ 4.45Å; V48-F69 HydrophobicContact CG2-CZ 4.1Å |
| 49 | I | 78.2 | Confident | 75.4 | Confident | 89 Ų | 89 | 99.9 Ų | 99.9 | 46% | 0.456 | 57% | 0.565 | S | S | . | * | S | Bend | trans | -131.3 | 93.7 | 179.6 | -55.5 | -166.7 | 0 | 0 | 0 | 106.9 | F45 W62 | F45-I49 HydrophobicContact CE2-CB 4.36Å; F45-I49 HydrophobicContact CE2-CD1 4.42Å; F45-I49 HydrophobicContact CZ-CB 4.29Å; F45-I49 PolarHBondContact O-N 3.44Å; I49-W62 HydrophobicContact CG2-CZ3 4.39Å; I49-W62 VanDerWaalsContact O-CH2 3.24Å; I49-W62 WeakPolarHBondContact O-CH2 3.41Å |
| 50 | A | 77.6 | Confident | 76 | Confident | 78 Ų | 78 | 95.3 Ų | 95.3 | 65% | 0.645 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -98 | 126.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | E46 | E46-A50 WeakPolarHBondContact O-CB 3.5Š|
| 51 | E | 80.6 | Confident | 77 | Confident | 62 Ų | 62 | 93.4 Ų | 93.4 | 29% | 0.29 | 54% | 0.541 | S | S | . | . | P | Polyproline II helix | trans | -90 | 134.6 | 164 | -77.4 | 178.4 | -174.2 | 0 | 0 | 109.5 | S57 W62 | E51-S57 VanDerWaalsContact CD-OG 3.27Å; E51-S57 WeakPolarHBondContact OE1-CB 3.42Å; E51-S57 PolarHBondContact OE1-OG 2.71Å; E51-S57 PolarHBondContact OE2-N 3.49Å; E51-S57 PolarHBondContact OE2-OG 2.87Å; E51-S57 VanDerWaalsContact OE2-OG 3.13Å; E51-W62 HydrophobicContact CB-CH2 4.24Å; E51-W62 HydrophobicContact CB-CZ3 4.04Å; E51-W62 VanDerWaalsContact CD-CE3 3.4Å; E51-W62 VanDerWaalsContact CD-CZ3 3.47Å; E51-W62 HydrophobicContact CG-CE3 4.02Å; E51-W62 HydrophobicContact CG-CH2 4.18Å; E51-W62 HydrophobicContact CG-CZ3 3.51Å |
| 52 | P | 76.8 | Confident | 77.8 | Confident | 85 Ų | 85 | 91.7 Ų | 91.7 | 55% | 0.552 | 52% | 0.524 | S | S | * | . | P | Polyproline II helix | trans | -75.3 | 147.5 | 177.7 | 30.2 | -33.6 | 0 | 0 | 0 | 111.6 | G54 T55 | P52-G54 PolarHBondContact O-N 2.86Å; P52-T55 PolarHBondContact O-N 3.25Å |
| 53 | D | 67.6 | Low | 78.5 | Confident | 161 Ų | 161 | 94.1 Ų | 94.1 | 86% | 0.861 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -18.4 | -175.4 | -65 | -48.4 | 0 | 0 | 0 | 115.6 | ||
| 54 | G | 64.7 | Low | 79.2 | Confident | 75 Ų | 75 | 95.8 Ų | 95.8 | 77% | 0.773 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -11.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | P52 | P52-G54 PolarHBondContact O-N 2.86Š|
| 55 | T | 64.1 | Low | 79.5 | Confident | 107 Ų | 107 | 91.8 Ų | 91.8 | 66% | 0.656 | 52% | 0.522 | S | S | * | . | trans | -144.8 | 84.5 | -173.9 | -22.5 | 0 | 0 | 0 | 0 | 110.7 | P52 | P52-T55 PolarHBondContact O-N 3.25Š| ||
| 56 | H | 77.6 | Confident | 79.8 | Confident | 129 Ų | 129 | 96.8 Ų | 96.8 | 60% | 0.597 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -89.4 | 136.7 | 178 | -67.4 | -172.6 | 0 | 0 | 0 | 111.1 | ||
| 57 | S | 77.2 | Confident | 80.1 | Confident | 41 Ų | 41 | 95.5 Ų | 95.5 | 29% | 0.287 | 54% | 0.541 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 169.6 | 165.8 | 69.9 | 0 | 0 | 0 | 0 | 110.8 | E51 D59 | E51-S57 VanDerWaalsContact CD-OG 3.27Å; E51-S57 WeakPolarHBondContact OE1-CB 3.42Å; E51-S57 PolarHBondContact OE1-OG 2.71Å; E51-S57 PolarHBondContact OE2-N 3.49Å; E51-S57 PolarHBondContact OE2-OG 2.87Å; E51-S57 VanDerWaalsContact OE2-OG 3.13Å; S57-D59 PolarHBondContact O-N 3.37Å |
| 58 | L | 81.4 | Confident | 80.6 | Confident | 139 Ų | 139 | 94 Ų | 94 | 73% | 0.728 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -58.3 | 131.1 | 176.3 | -65.1 | 171.4 | 0 | 0 | 0 | 110 | G60 V61 W62 | L58-G60 PolarHBondContact O-N 3.22Å; L58-V61 HydrophobicContact CB-CG2 4.21Å; L58-V61 WeakPolarHBondContact O-CA 3.45Å; L58-V61 WeakPolarHBondContact O-CB 3.47Å; L58-V61 PolarHBondContact O-N 3.48Å; L58-W62 PolarHBondContact O-N 3.48Å; L58-W62 VanDerWaalsContact O-N 3.15Å |
| 59 | D | 83 | Confident | 80.9 | Confident | 124 Ų | 124 | 92.9 Ų | 92.9 | 66% | 0.663 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -48.7 | -34 | -177.5 | -71.1 | -40.6 | 0 | 0 | 0 | 114 | S57 R63 | S57-D59 PolarHBondContact O-N 3.37Å; D59-R63 WeakPolarHBondContact O-CB 3.22Å; D59-R63 WeakPolarHBondContact O-CG 3.42Å; D59-R63 PolarHBondContact O-N 3.33Å |
| 60 | G | 82.7 | Confident | 81.3 | Confident | 53 Ų | 53 | 91.2 Ų | 91.2 | 55% | 0.546 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.4 | -38.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L58 L64 | L58-G60 PolarHBondContact O-N 3.22Å; G60-L64 VanDerWaalsContact O-CB 3.27Å; G60-L64 WeakPolarHBondContact O-CB 3.23Å; G60-L64 PolarHBondContact O-N 3.13Å |
| 61 | V | 86.3 | Confident | 81.8 | Confident | 77 Ų | 77 | 90.8 Ų | 90.8 | 47% | 0.467 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -70.7 | -42.3 | 177.9 | 178.7 | 0 | 0 | 0 | 0 | 109.8 | L58 L64 S65 | L58-V61 HydrophobicContact CB-CG2 4.21Å; L58-V61 WeakPolarHBondContact O-CA 3.45Å; L58-V61 WeakPolarHBondContact O-CB 3.47Å; L58-V61 PolarHBondContact O-N 3.48Å; V61-L64 PolarHBondContact O-N 2.93Å; V61-S65 VanDerWaalsContact O-CB 3.3Å; V61-S65 WeakPolarHBondContact O-CB 3.26Å; V61-S65 PolarHBondContact O-N 3.36Å; V61-S65 PolarHBondContact O-OG 2.89Å |
| 62 | W | 86.4 | Confident | 82.2 | Confident | 64 Ų | 64 | 91.1 Ų | 91.1 | 24% | 0.242 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -59.5 | -50.8 | 176.3 | -173.5 | -110.9 | 0 | 0 | 0 | 111.9 | F45 E46 I49 E51 L58 L64 S65 Y66 | F45-W62 HydrophobicContact CD1-CH2 4.28Å; F45-W62 HydrophobicContact CD1-CZ2 4.16Å; F45-W62 HydrophobicContact CE1-CD2 4.2Å; F45-W62 HydrophobicContact CE1-CE3 4.07Å; F45-W62 AromaticContact CE1-CH2 3.68Å; F45-W62 HydrophobicContact CE1-CH2 3.68Å; F45-W62 AromaticContact CE1-CZ2 3.79Å; F45-W62 HydrophobicContact CE1-CZ2 3.79Å; F45-W62 AromaticContact CE1-CZ3 3.79Å; F45-W62 HydrophobicContact CE1-CZ3 3.79Å; F45-W62 HydrophobicContact CZ-CZ3 4.34Å; E46-W62 HydrophobicContact CG-CZ2 4.24Å; I49-W62 HydrophobicContact CG2-CZ3 4.39Å; I49-W62 VanDerWaalsContact O-CH2 3.24Å; I49-W62 WeakPolarHBondContact O-CH2 3.41Å; E51-W62 HydrophobicContact CB-CH2 4.24Å; E51-W62 HydrophobicContact CB-CZ3 4.04Å; E51-W62 VanDerWaalsContact CD-CE3 3.4Å; E51-W62 VanDerWaalsContact CD-CZ3 3.47Å; E51-W62 HydrophobicContact CG-CE3 4.02Å; E51-W62 HydrophobicContact CG-CH2 4.18Å; E51-W62 HydrophobicContact CG-CZ3 3.51Å; L58-W62 PolarHBondContact O-N 3.48Å; L58-W62 VanDerWaalsContact O-N 3.15Å; W62-L64 PolarHBondContact O-N 2.99Å; W62-S65 PolarHBondContact O-N 3.01Å; W62-Y66 PolarHBondContact O-N 2.92Å |
| 63 | R | 84.9 | Confident | 82.7 | Confident | 185 Ų | 185 | 92.4 Ų | 92.4 | 70% | 0.698 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.7 | -39.9 | 177.6 | -74.5 | -179.4 | -177.7 | -119.1 | 0.9 | 113.4 | D59 T67 | D59-R63 WeakPolarHBondContact O-CB 3.22Å; D59-R63 WeakPolarHBondContact O-CG 3.42Å; D59-R63 PolarHBondContact O-N 3.33Å; R63-T67 WeakPolarHBondContact O-CB 3.39Å; R63-T67 PolarHBondContact O-N 2.87Å; R63-T67 PolarHBondContact O-OG1 3.35Å |
| 64 | L | 88.4 | Confident | 83.6 | Confident | 113 Ų | 113 | 90.7 Ų | 90.7 | 59% | 0.592 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -67.7 | -39.1 | 178.1 | -177 | 62.4 | 0 | 0 | 0 | 111.4 | G60 V61 W62 T67 T68 | G60-L64 VanDerWaalsContact O-CB 3.27Å; G60-L64 WeakPolarHBondContact O-CB 3.23Å; G60-L64 PolarHBondContact O-N 3.13Å; V61-L64 PolarHBondContact O-N 2.93Å; W62-L64 PolarHBondContact O-N 2.99Å; L64-T67 PolarHBondContact O-N 3.41Å; L64-T68 VanDerWaalsContact O-CB 3.26Å; L64-T68 WeakPolarHBondContact O-CB 3.39Å; L64-T68 PolarHBondContact O-N 3.37Å; L64-T68 PolarHBondContact O-OG1 2.96Å |
| 65 | S | 88.2 | Confident | 84.7 | Confident | 48 Ų | 48 | 94.5 Ų | 94.5 | 34% | 0.336 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.2 | -47.5 | 177.2 | -58.1 | 0 | 0 | 0 | 0 | 111 | V61 W62 T67 T68 F69 | V61-S65 VanDerWaalsContact O-CB 3.3Å; V61-S65 WeakPolarHBondContact O-CB 3.26Å; V61-S65 PolarHBondContact O-N 3.36Å; V61-S65 PolarHBondContact O-OG 2.89Å; W62-S65 PolarHBondContact O-N 3.01Å; S65-T67 VanDerWaalsContact C-N 3.34Å; S65-T67 PolarHBondContact O-N 2.98Å; S65-T68 PolarHBondContact O-N 2.9Å; S65-F69 VanDerWaalsContact O-CB 3.25Å; S65-F69 WeakPolarHBondContact O-CB 3.14Å; S65-F69 PolarHBondContact O-N 3.28Å |
| 66 | Y | 87.9 | Confident | 85.9 | Confident | 113 Ų | 113 | 92.7 Ų | 92.7 | 44% | 0.443 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -55.2 | -48.4 | 174 | 175.6 | -94.1 | 0 | 0 | 0 | 112.1 | F45 W62 T70 | F45-Y66 HydrophobicContact CB-CD2 3.65Å; F45-Y66 HydrophobicContact CB-CE2 4.03Å; F45-Y66 AromaticContact CD1-CD2 3.76Å; F45-Y66 HydrophobicContact CD1-CD2 3.76Å; F45-Y66 HydrophobicContact CD1-CG 4.43Å; F45-Y66 AromaticContact CG-CD2 3.81Å; F45-Y66 HydrophobicContact CG-CD2 3.81Å; W62-Y66 PolarHBondContact O-N 2.92Å; Y66-T70 WeakPolarHBondContact O-CB 3.47Å; Y66-T70 PolarHBondContact O-N 3.14Å; Y66-T70 PolarHBondContact O-OG1 3.27Å |
| 67 | T | 87.5 | Confident | 86.5 | Confident | 75 Ų | 75 | 93.8 Ų | 93.8 | 46% | 0.46 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.6 | -48.1 | -178.6 | -56.8 | 0 | 0 | 0 | 0 | 111.1 | R63 L64 S65 F69 T70 V71 | R63-T67 WeakPolarHBondContact O-CB 3.39Å; R63-T67 PolarHBondContact O-N 2.87Å; R63-T67 PolarHBondContact O-OG1 3.35Å; L64-T67 PolarHBondContact O-N 3.41Å; S65-T67 VanDerWaalsContact C-N 3.34Å; S65-T67 PolarHBondContact O-N 2.98Å; T67-F69 VanDerWaalsContact C-N 3.35Å; T67-F69 PolarHBondContact O-N 3.4Å; T67-T70 PolarHBondContact O-N 2.93Å; T67-V71 HydrophobicContact CG2-CG2 4.36Å; T67-V71 WeakPolarHBondContact O-CB 3.38Å; T67-V71 VanDerWaalsContact O-CG2 3.26Å; T67-V71 WeakPolarHBondContact O-CG2 3.33Å; T67-V71 PolarHBondContact O-N 3.48Å |
| 68 | T | 89.9 | Confident | 87 | Confident | 75 Ų | 75 | 98 Ų | 98 | 46% | 0.46 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64 | -41.1 | -178.5 | -57.9 | 0 | 0 | 0 | 0 | 111.3 | L64 S65 S72 | L64-T68 VanDerWaalsContact O-CB 3.26Å; L64-T68 WeakPolarHBondContact O-CB 3.39Å; L64-T68 PolarHBondContact O-N 3.37Å; L64-T68 PolarHBondContact O-OG1 2.96Å; S65-T68 PolarHBondContact O-N 2.9Å; T68-S72 WeakPolarHBondContact O-CB 3.35Å; T68-S72 PolarHBondContact O-N 3.47Å; T68-S72 PolarHBondContact O-OG 3.03Å |
| 69 | F | 88.1 | Confident | 87.5 | Confident | 58 Ų | 58 | 95.3 Ų | 95.3 | 25% | 0.254 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.7 | -50.2 | 175.4 | 177.9 | -99 | 0 | 0 | 0 | 111.7 | F45 V48 S65 T67 V71 S72 K73 | F45-F69 HydrophobicContact CB-CD1 4.02Å; F45-F69 HydrophobicContact CB-CE1 4.28Å; F45-F69 HydrophobicContact CD2-CB 3.63Å; F45-F69 AromaticContact CD2-CD1 3.62Å; F45-F69 HydrophobicContact CD2-CD1 3.62Å; F45-F69 HydrophobicContact CD2-CD2 4.32Å; F45-F69 HydrophobicContact CD2-CE1 4.31Å; F45-F69 AromaticContact CD2-CG 3.61Å; F45-F69 HydrophobicContact CD2-CG 3.61Å; F45-F69 HydrophobicContact CE2-CB 3.89Å; F45-F69 HydrophobicContact CE2-CG 4.21Å; F45-F69 HydrophobicContact CG-CD1 4.29Å; V48-F69 HydrophobicContact CB-CZ 4.45Å; V48-F69 HydrophobicContact CG2-CZ 4.1Å; S65-F69 VanDerWaalsContact O-CB 3.25Å; S65-F69 WeakPolarHBondContact O-CB 3.14Å; S65-F69 PolarHBondContact O-N 3.28Å; T67-F69 VanDerWaalsContact C-N 3.35Å; T67-F69 PolarHBondContact O-N 3.4Å; F69-V71 PolarHBondContact O-N 3.27Å; F69-S72 PolarHBondContact O-N 3.47Å; F69-K73 HydrophobicContact CE1-CD 4.36Å; F69-K73 VanDerWaalsContact O-CB 3.31Å; F69-K73 WeakPolarHBondContact O-CB 3.45Å; F69-K73 PolarHBondContact O-N 3.31Å |
| 70 | T | 86.5 | Confident | 87.8 | Confident | 54 Ų | 54 | 93.7 Ų | 93.7 | 33% | 0.331 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.5 | -46.9 | -178 | -60.3 | 0 | 0 | 0 | 0 | 111.7 | Y66 T67 Y74 | Y66-T70 WeakPolarHBondContact O-CB 3.47Å; Y66-T70 PolarHBondContact O-N 3.14Å; Y66-T70 PolarHBondContact O-OG1 3.27Å; T67-T70 PolarHBondContact O-N 2.93Å; T70-Y74 WeakPolarHBondContact O-CB 3.28Å; T70-Y74 PolarHBondContact O-N 3.32Å |
| 71 | V | 88.9 | Confident | 88.1 | Confident | 69 Ų | 69 | 93.4 Ų | 93.4 | 42% | 0.418 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64 | -49 | 178.4 | 173.5 | 0 | 0 | 0 | 0 | 110.1 | T67 F69 K73 Y74 W75 | T67-V71 HydrophobicContact CG2-CG2 4.36Å; T67-V71 WeakPolarHBondContact O-CB 3.38Å; T67-V71 VanDerWaalsContact O-CG2 3.26Å; T67-V71 WeakPolarHBondContact O-CG2 3.33Å; T67-V71 PolarHBondContact O-N 3.48Å; F69-V71 PolarHBondContact O-N 3.27Å; V71-K73 PolarHBondContact O-N 3.23Å; V71-Y74 PolarHBondContact O-N 3.3Å; V71-W75 VanDerWaalsContact CG1-CD1 3.48Å; V71-W75 PolarHBondContact O-N 3.01Å |
| 72 | S | 88.7 | Confident | 88.3 | Confident | 68 Ų | 68 | 93.2 Ų | 93.2 | 48% | 0.476 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.5 | -44.9 | -178.7 | -59.2 | 0 | 0 | 0 | 0 | 111.9 | T68 F69 Y74 W75 C76 | T68-S72 WeakPolarHBondContact O-CB 3.35Å; T68-S72 PolarHBondContact O-N 3.47Å; T68-S72 PolarHBondContact O-OG 3.03Å; F69-S72 PolarHBondContact O-N 3.47Å; S72-Y74 VanDerWaalsContact C-N 3.35Å; S72-Y74 PolarHBondContact O-N 3.36Å; S72-W75 PolarHBondContact O-N 2.91Å; S72-C76 WeakPolarHBondContact O-CB 3.25Å; S72-C76 PolarHBondContact O-N 2.75Å |
| 73 | K | 86.9 | Confident | 88.6 | Confident | 113 Ų | 113 | 94.2 Ų | 94.2 | 49% | 0.491 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -58.2 | -46.7 | 175.5 | -177.9 | 177.8 | 71.9 | 83.9 | 0 | 111.6 | F69 V71 Y77 | F69-K73 HydrophobicContact CE1-CD 4.36Å; F69-K73 VanDerWaalsContact O-CB 3.31Å; F69-K73 WeakPolarHBondContact O-CB 3.45Å; F69-K73 PolarHBondContact O-N 3.31Å; V71-K73 PolarHBondContact O-N 3.23Å; K73-Y77 WeakPolarHBondContact O-CB 3.29Å; K73-Y77 PolarHBondContact O-N 2.91Å |
| 74 | Y | 85.8 | Confident | 89 | Confident | 124 Ų | 124 | 91.4 Ų | 91.4 | 49% | 0.486 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.4 | -46.9 | -178.8 | -179.8 | -101.8 | 0 | 0 | 0 | 112.5 | T70 V71 S72 Y77 R78 | T70-Y74 WeakPolarHBondContact O-CB 3.28Å; T70-Y74 PolarHBondContact O-N 3.32Å; V71-Y74 PolarHBondContact O-N 3.3Å; S72-Y74 VanDerWaalsContact C-N 3.35Å; S72-Y74 PolarHBondContact O-N 3.36Å; Y74-Y77 PolarHBondContact O-N 3.03Å; Y74-R78 VanDerWaalsContact CE1-CD 3.4Å; Y74-R78 HydrophobicContact CE1-CG 4.37Å; Y74-R78 WeakPolarHBondContact O-CG 3.32Å; Y74-R78 PolarHBondContact O-N 2.84Å; Y74-R78 VanDerWaalsContact O-N 3.09Å; Y74-R78 PolarHBondContact OH-NH1 2.89Å; Y74-R78 VanDerWaalsContact OH-NH1 3.15Å |
| 75 | W | 88.9 | Confident | 89.1 | Confident | 155 Ų | 155 | 87.7 Ų | 87.7 | 59% | 0.587 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -68.4 | -42.1 | 179.1 | -79.4 | 97.6 | 0 | 0 | 0 | 112.5 | V71 S72 Y77 R78 V79 | V71-W75 VanDerWaalsContact CG1-CD1 3.48Å; V71-W75 PolarHBondContact O-N 3.01Å; S72-W75 PolarHBondContact O-N 2.91Å; W75-Y77 VanDerWaalsContact C-N 3.34Å; W75-Y77 PolarHBondContact O-N 2.9Å; W75-R78 PolarHBondContact O-N 3.42Å; W75-V79 WeakPolarHBondContact O-CG2 3.49Å; W75-V79 PolarHBondContact O-N 2.83Å |
| 76 | C | 89 | Confident | 89.2 | Confident | 69 Ų | 69 | 91.2 Ų | 91.2 | 47% | 0.466 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -56.5 | -49.7 | 174.8 | -176.1 | 0 | 0 | 0 | 0 | 110.6 | S72 R78 V79 L80 | S72-C76 WeakPolarHBondContact O-CB 3.25Å; S72-C76 PolarHBondContact O-N 2.75Å; C76-R78 PolarHBondContact O-N 3.34Å; C76-V79 PolarHBondContact O-N 2.83Å; C76-L80 VanDerWaalsContact O-CD1 3.26Å; C76-L80 WeakPolarHBondContact O-CD1 3.44Å; C76-L80 PolarHBondContact O-N 3.34Å |
| 77 | Y | 89.8 | Confident | 89.5 | Confident | 152 Ų | 152 | 88.7 Ų | 88.7 | 60% | 0.596 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -55.8 | -48.1 | 176.1 | 177.5 | -103.4 | 0 | 0 | 0 | 112.1 | K73 Y74 W75 V79 L80 S81 | K73-Y77 WeakPolarHBondContact O-CB 3.29Å; K73-Y77 PolarHBondContact O-N 2.91Å; Y74-Y77 PolarHBondContact O-N 3.03Å; W75-Y77 VanDerWaalsContact C-N 3.34Å; W75-Y77 PolarHBondContact O-N 2.9Å; Y77-V79 PolarHBondContact O-N 2.87Å; Y77-L80 PolarHBondContact O-N 2.79Å; Y77-S81 WeakPolarHBondContact O-CB 3.26Å; Y77-S81 PolarHBondContact O-N 2.95Å; Y77-S81 PolarHBondContact O-OG 3.35Å |
| 78 | R | 88.6 | Confident | 89.8 | Confident | 129 Ų | 129 | 88.2 Ų | 88.2 | 49% | 0.487 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.2 | -42.6 | 179.3 | -74.3 | -176.6 | 67.8 | 155.8 | -2 | 113.1 | Y74 W75 C76 A82 | Y74-R78 VanDerWaalsContact CE1-CD 3.4Å; Y74-R78 HydrophobicContact CE1-CG 4.37Å; Y74-R78 WeakPolarHBondContact O-CG 3.32Å; Y74-R78 PolarHBondContact O-N 2.84Å; Y74-R78 VanDerWaalsContact O-N 3.09Å; Y74-R78 PolarHBondContact OH-NH1 2.89Å; Y74-R78 VanDerWaalsContact OH-NH1 3.15Å; W75-R78 PolarHBondContact O-N 3.42Å; C76-R78 PolarHBondContact O-N 3.34Å; R78-A82 WeakPolarHBondContact O-CB 3.23Å; R78-A82 PolarHBondContact O-N 3.49Å |
| 79 | V | 91.1 | Very high | 89.9 | Confident | 84 Ų | 84 | 87.7 Ų | 87.7 | 51% | 0.509 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66.8 | -47.7 | 178.9 | 173.2 | 0 | 0 | 0 | 0 | 110.3 | W75 C76 Y77 S81 A82 V83 | W75-V79 WeakPolarHBondContact O-CG2 3.49Å; W75-V79 PolarHBondContact O-N 2.83Å; C76-V79 PolarHBondContact O-N 2.83Å; Y77-V79 PolarHBondContact O-N 2.87Å; V79-S81 PolarHBondContact O-N 2.82Å; V79-A82 PolarHBondContact O-N 3.39Å; V79-V83 HydrophobicContact CG1-CG2 4.49Å; V79-V83 WeakPolarHBondContact O-CG2 3.49Å; V79-V83 PolarHBondContact O-N 2.97Å |
| 80 | L | 88.6 | Confident | 90.1 | Very high | 90 Ų | 90 | 90.8 Ų | 90.8 | 47% | 0.471 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.6 | -44.2 | 177.8 | -91.4 | 71.1 | 0 | 0 | 0 | 111.5 | C76 Y77 A82 V83 F84 | C76-L80 VanDerWaalsContact O-CD1 3.26Å; C76-L80 WeakPolarHBondContact O-CD1 3.44Å; C76-L80 PolarHBondContact O-N 3.34Å; Y77-L80 PolarHBondContact O-N 2.79Å; L80-A82 VanDerWaalsContact C-N 3.31Å; L80-A82 PolarHBondContact O-N 3.48Å; L80-V83 PolarHBondContact O-N 3.35Å; L80-F84 HydrophobicContact CG-CD2 4.46Å; L80-F84 WeakPolarHBondContact O-CB 3.45Å; L80-F84 WeakPolarHBondContact O-CD2 3.1Å; L80-F84 PolarHBondContact O-N 3.01Å |
| 81 | S | 90.5 | Very high | 90.5 | Very high | 47 Ų | 47 | 93.6 Ų | 93.6 | 33% | 0.329 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.1 | -34.9 | 176.3 | -61.6 | 0 | 0 | 0 | 0 | 112.6 | Y77 V79 G85 | Y77-S81 WeakPolarHBondContact O-CB 3.26Å; Y77-S81 PolarHBondContact O-N 2.95Å; Y77-S81 PolarHBondContact O-OG 3.35Å; V79-S81 PolarHBondContact O-N 2.82Å; S81-G85 WeakPolarHBondContact O-CA 3.3Å; S81-G85 PolarHBondContact O-N 3.32Å |
| 82 | A | 90 | Very high | 90.8 | Very high | 72 Ų | 72 | 99 Ų | 99 | 60% | 0.595 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -68.5 | -40.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | R78 V79 L80 | R78-A82 WeakPolarHBondContact O-CB 3.23Å; R78-A82 PolarHBondContact O-N 3.49Å; V79-A82 PolarHBondContact O-N 3.39Å; L80-A82 VanDerWaalsContact C-N 3.31Å; L80-A82 PolarHBondContact O-N 3.48Å |
| 83 | V | 91.8 | Very high | 91.1 | Very high | 85 Ų | 85 | 97.9 Ų | 97.9 | 52% | 0.515 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -75 | -46.9 | -178.7 | 174.6 | 0 | 0 | 0 | 0 | 111.6 | V79 L80 P87 | V79-V83 HydrophobicContact CG1-CG2 4.49Å; V79-V83 WeakPolarHBondContact O-CG2 3.49Å; V79-V83 PolarHBondContact O-N 2.97Å; L80-V83 PolarHBondContact O-N 3.35Å; V83-P87 WeakPolarHBondContact O-CD 3.29Å; V83-P87 WeakPolarHBondContact O-CG 3.19Å |
| 84 | F | 93.3 | Very high | 91.4 | Very high | 127 Ų | 127 | 99 Ų | 99 | 56% | 0.557 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -101.1 | -18.7 | -171.7 | -64.7 | -73.1 | 0 | 0 | 0 | 114.2 | L80 I86 P87 V88 | L80-F84 HydrophobicContact CG-CD2 4.46Å; L80-F84 WeakPolarHBondContact O-CB 3.45Å; L80-F84 WeakPolarHBondContact O-CD2 3.1Å; L80-F84 PolarHBondContact O-N 3.01Å; F84-I86 PolarHBondContact O-N 3.14Å; F84-P87 WeakPolarHBondContact O-CD 3.28Å; F84-V88 HydrophobicContact CB-CG2 4.43Å; F84-V88 VanDerWaalsContact O-CB 3.23Å; F84-V88 WeakPolarHBondContact O-CB 3.22Å; F84-V88 WeakPolarHBondContact O-CG2 3.49Å; F84-V88 PolarHBondContact O-N 2.86Å |
| 85 | G | 91.8 | Very high | 91.9 | Very high | 35 Ų | 35 | 97.3 Ų | 97.3 | 36% | 0.361 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.1 | -49.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | S81 A89 | S81-G85 WeakPolarHBondContact O-CA 3.3Å; S81-G85 PolarHBondContact O-N 3.32Å; G85-A89 VanDerWaalsContact O-CB 3.29Å; G85-A89 WeakPolarHBondContact O-CB 3.44Å; G85-A89 PolarHBondContact O-N 3.05Å |
| 86 | I | 90.4 | Very high | 92.1 | Very high | 121 Ų | 121 | 96.8 Ų | 96.8 | 62% | 0.621 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.7 | -50 | -179.8 | -56.9 | 170.6 | 0 | 0 | 0 | 111.3 | F84 V88 A89 L90 | F84-I86 PolarHBondContact O-N 3.14Å; I86-V88 VanDerWaalsContact C-N 3.35Å; I86-V88 PolarHBondContact O-N 3.42Å; I86-A89 PolarHBondContact O-N 3.03Å; I86-L90 HydrophobicContact CG2-CD1 4.21Å; I86-L90 WeakPolarHBondContact O-CG 3.3Å; I86-L90 PolarHBondContact O-N 3.15Å |
| 87 | P | 92.9 | Very high | 92.3 | Very high | 61 Ų | 61 | 96.1 Ų | 96.1 | 40% | 0.396 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -57.3 | -44.1 | 176.5 | -26.9 | 34.9 | 0 | 0 | 0 | 113.7 | V83 F84 L90 L91 | V83-P87 WeakPolarHBondContact O-CD 3.29Å; V83-P87 WeakPolarHBondContact O-CG 3.19Å; F84-P87 WeakPolarHBondContact O-CD 3.28Å; P87-L90 PolarHBondContact O-N 2.93Å; P87-L91 WeakPolarHBondContact O-CG 3.17Å; P87-L91 PolarHBondContact O-N 3.15Å |
| 88 | V | 94.2 | Very high | 92.6 | Very high | 64 Ų | 64 | 91.3 Ų | 91.3 | 39% | 0.388 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.7 | -41.7 | -179.6 | 172.1 | 0 | 0 | 0 | 0 | 110.7 | F84 I86 L90 L91 W92 | F84-V88 HydrophobicContact CB-CG2 4.43Å; F84-V88 VanDerWaalsContact O-CB 3.23Å; F84-V88 WeakPolarHBondContact O-CB 3.22Å; F84-V88 WeakPolarHBondContact O-CG2 3.49Å; F84-V88 PolarHBondContact O-N 2.86Å; I86-V88 VanDerWaalsContact C-N 3.35Å; I86-V88 PolarHBondContact O-N 3.42Å; V88-L90 VanDerWaalsContact C-N 3.33Å; V88-L90 PolarHBondContact O-N 3.22Å; V88-L91 PolarHBondContact O-N 3.35Å; V88-W92 VanDerWaalsContact O-CD1 3.24Å; V88-W92 PolarHBondContact O-N 3.01Å |
| 89 | A | 92.7 | Very high | 92.8 | Very high | 65 Ų | 65 | 90.5 Ų | 90.5 | 54% | 0.537 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.1 | -42.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | G85 I86 W92 G93 | G85-A89 VanDerWaalsContact O-CB 3.29Å; G85-A89 WeakPolarHBondContact O-CB 3.44Å; G85-A89 PolarHBondContact O-N 3.05Å; I86-A89 PolarHBondContact O-N 3.03Å; A89-W92 PolarHBondContact O-N 3.48Å; A89-G93 PolarHBondContact O-N 3.42Å |
| 90 | L | 92.5 | Very high | 93 | Very high | 123 Ų | 123 | 88.2 Ų | 88.2 | 64% | 0.644 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.1 | -43.9 | 176.2 | -70.9 | 174 | 0 | 0 | 0 | 112.2 | I86 P87 V88 G93 F94 | I86-L90 HydrophobicContact CG2-CD1 4.21Å; I86-L90 WeakPolarHBondContact O-CG 3.3Å; I86-L90 PolarHBondContact O-N 3.15Å; P87-L90 PolarHBondContact O-N 2.93Å; V88-L90 VanDerWaalsContact C-N 3.33Å; V88-L90 PolarHBondContact O-N 3.22Å; L90-G93 PolarHBondContact O-N 3.41Å; L90-F94 WeakPolarHBondContact O-CB 3.4Å; L90-F94 PolarHBondContact O-N 3.05Å |
| 91 | L | 95 | Very high | 93.3 | Very high | 112 Ų | 112 | 89.9 Ų | 89.9 | 59% | 0.586 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.8 | -46.9 | 177 | -72.7 | 171.8 | 0 | 0 | 0 | 111.6 | P87 V88 F94 L95 | P87-L91 WeakPolarHBondContact O-CG 3.17Å; P87-L91 PolarHBondContact O-N 3.15Å; V88-L91 PolarHBondContact O-N 3.35Å; L91-F94 PolarHBondContact O-N 2.93Å; L91-L95 VanDerWaalsContact O-CG 3.3Å; L91-L95 WeakPolarHBondContact O-CG 3.29Å; L91-L95 PolarHBondContact O-N 3.29Å |
| 92 | W | 94.5 | Very high | 93.4 | Very high | 183 Ų | 183 | 90.9 Ų | 90.9 | 69% | 0.693 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.5 | -42.1 | 177.7 | -84.5 | 105.6 | 0 | 0 | 0 | 112.7 | V88 A89 F94 L95 F96 | V88-W92 VanDerWaalsContact O-CD1 3.24Å; V88-W92 PolarHBondContact O-N 3.01Å; A89-W92 PolarHBondContact O-N 3.48Å; W92-F94 PolarHBondContact O-N 3.43Å; W92-L95 PolarHBondContact O-N 3.39Å; W92-F96 WeakPolarHBondContact O-CB 3.12Å; W92-F96 PolarHBondContact O-N 3.48Å |
| 93 | G | 94.5 | Very high | 93.5 | Very high | 44 Ų | 44 | 92.1 Ų | 92.1 | 45% | 0.454 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.7 | -44.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A89 L90 F96 A97 | A89-G93 PolarHBondContact O-N 3.42Å; L90-G93 PolarHBondContact O-N 3.41Å; G93-F96 PolarHBondContact O-N 3.42Å; G93-A97 PolarHBondContact O-N 2.96Å |
| 94 | F | 94.7 | Very high | 93.6 | Very high | 136 Ų | 136 | 92.7 Ų | 92.7 | 60% | 0.596 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.7 | -46.8 | 176.7 | 178.8 | -102.6 | 0 | 0 | 0 | 112.3 | L90 L91 W92 F96 A97 C98 | L90-F94 WeakPolarHBondContact O-CB 3.4Å; L90-F94 PolarHBondContact O-N 3.05Å; L91-F94 PolarHBondContact O-N 2.93Å; W92-F94 PolarHBondContact O-N 3.43Å; F94-F96 VanDerWaalsContact C-N 3.31Å; F94-F96 PolarHBondContact O-N 2.96Å; F94-A97 WeakPolarHBondContact O-CB 3.42Å; F94-A97 PolarHBondContact O-N 3.5Å; F94-A97 VanDerWaalsContact O-N 3.14Å; F94-C98 VanDerWaalsContact CZ-SG 3.52Å; F94-C98 PolarHBondContact O-N 2.77Å; F94-C98 PolarHBondContact O-SG 3.1Å |
| 95 | L | 94.4 | Very high | 93.5 | Very high | 90 Ų | 90 | 95 Ų | 95 | 47% | 0.471 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58 | -45.4 | 176.6 | -73.1 | 173.1 | 0 | 0 | 0 | 111.5 | L91 W92 A97 C98 I99 | L91-L95 VanDerWaalsContact O-CG 3.3Å; L91-L95 WeakPolarHBondContact O-CG 3.29Å; L91-L95 PolarHBondContact O-N 3.29Å; W92-L95 PolarHBondContact O-N 3.39Å; L95-A97 VanDerWaalsContact C-N 3.3Å; L95-A97 PolarHBondContact O-N 2.97Å; L95-C98 PolarHBondContact O-N 2.9Å; L95-I99 VanDerWaalsContact O-CG1 3.29Å; L95-I99 WeakPolarHBondContact O-CG1 3.43Å; L95-I99 PolarHBondContact O-N 2.82Å |
| 96 | F | 93.9 | Very high | 93.4 | Very high | 144 Ų | 144 | 95.8 Ų | 95.8 | 63% | 0.632 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.6 | -39.6 | 177.4 | -175.6 | -100.6 | 0 | 0 | 0 | 112 | W92 G93 F94 I99 S100 | W92-F96 WeakPolarHBondContact O-CB 3.12Å; W92-F96 PolarHBondContact O-N 3.48Å; G93-F96 PolarHBondContact O-N 3.42Å; F94-F96 VanDerWaalsContact C-N 3.31Å; F94-F96 PolarHBondContact O-N 2.96Å; F96-I99 PolarHBondContact O-N 2.99Å; F96-S100 WeakPolarHBondContact O-CB 3.35Å; F96-S100 PolarHBondContact O-N 3.39Å; F96-S100 PolarHBondContact O-OG 2.81Å |
| 97 | A | 94.3 | Very high | 93.5 | Very high | 54 Ų | 54 | 93 Ų | 93 | 45% | 0.446 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.8 | -44.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | G93 F94 L95 S100 F101 | G93-A97 PolarHBondContact O-N 2.96Å; F94-A97 WeakPolarHBondContact O-CB 3.42Å; F94-A97 PolarHBondContact O-N 3.5Å; F94-A97 VanDerWaalsContact O-N 3.14Å; L95-A97 VanDerWaalsContact C-N 3.3Å; L95-A97 PolarHBondContact O-N 2.97Å; A97-S100 PolarHBondContact O-N 3.45Å; A97-F101 WeakPolarHBondContact O-CB 3.32Å; A97-F101 PolarHBondContact O-N 3.31Å |
| 98 | C | 94.4 | Very high | 93.5 | Very high | 51 Ų | 51 | 92.7 Ų | 92.7 | 35% | 0.345 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62 | -45.8 | 176 | -69 | 0 | 0 | 0 | 0 | 112.2 | F94 L95 S100 F101 C102 | F94-C98 VanDerWaalsContact CZ-SG 3.52Å; F94-C98 PolarHBondContact O-N 2.77Å; F94-C98 PolarHBondContact O-SG 3.1Å; L95-C98 PolarHBondContact O-N 2.9Å; C98-S100 VanDerWaalsContact C-N 3.33Å; C98-S100 PolarHBondContact O-N 3.29Å; C98-F101 PolarHBondContact O-N 3.45Å; C98-C102 PolarHBondContact O-N 3.25Å; C98-C102 PolarHBondContact O-SG 3.49Å; C98-C102 VanDerWaalsContact O-SG 3.36Å |
| 99 | I | 94.1 | Very high | 93.3 | Very high | 112 Ų | 112 | 92.9 Ų | 92.9 | 57% | 0.574 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59.8 | -46.5 | 176.5 | -68.7 | 166.2 | 0 | 0 | 0 | 110.2 | L95 F96 F101 C102 H103 | L95-I99 VanDerWaalsContact O-CG1 3.29Å; L95-I99 WeakPolarHBondContact O-CG1 3.43Å; L95-I99 PolarHBondContact O-N 2.82Å; F96-I99 PolarHBondContact O-N 2.99Å; I99-F101 VanDerWaalsContact C-N 3.32Å; I99-F101 PolarHBondContact O-N 3.18Å; I99-C102 PolarHBondContact O-N 3.32Å; I99-H103 WeakPolarHBondContact O-CB 3.41Å; I99-H103 PolarHBondContact O-N 3.41Å |
| 100 | S | 94.6 | Very high | 93.1 | Very high | 37 Ų | 37 | 93.5 Ų | 93.5 | 26% | 0.259 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.4 | -44 | 177.9 | -59.4 | 0 | 0 | 0 | 0 | 111.4 | F96 A97 C98 H103 I104 | F96-S100 WeakPolarHBondContact O-CB 3.35Å; F96-S100 PolarHBondContact O-N 3.39Å; F96-S100 PolarHBondContact O-OG 2.81Å; A97-S100 PolarHBondContact O-N 3.45Å; C98-S100 VanDerWaalsContact C-N 3.33Å; C98-S100 PolarHBondContact O-N 3.29Å; S100-H103 PolarHBondContact O-N 2.97Å; S100-I104 VanDerWaalsContact O-CD1 3.28Å; S100-I104 WeakPolarHBondContact O-CD1 3.19Å; S100-I104 VanDerWaalsContact O-CG1 3.25Å; S100-I104 WeakPolarHBondContact O-CG1 3.39Å; S100-I104 PolarHBondContact O-N 3.39Å |
| 101 | F | 94.2 | Very high | 93 | Very high | 124 Ų | 124 | 91.8 Ų | 91.8 | 54% | 0.544 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.5 | -52.6 | 175.6 | 178.6 | -94.9 | 0 | 0 | 0 | 111.5 | A97 C98 I99 H103 I104 W105 | A97-F101 WeakPolarHBondContact O-CB 3.32Å; A97-F101 PolarHBondContact O-N 3.31Å; C98-F101 PolarHBondContact O-N 3.45Å; I99-F101 VanDerWaalsContact C-N 3.32Å; I99-F101 PolarHBondContact O-N 3.18Å; F101-H103 VanDerWaalsContact C-N 3.26Å; F101-H103 PolarHBondContact O-N 3.35Å; F101-I104 PolarHBondContact O-N 3.45Å; F101-W105 AromaticContact CD2-CD1 3.19Å; F101-W105 HydrophobicContact CD2-CG 4.13Å; F101-W105 AromaticContact CD2-NE1 3.46Å; F101-W105 HydrophobicContact CE1-CB 4.48Å; F101-W105 AromaticContact CE2-CD1 3.22Å; F101-W105 HydrophobicContact CE2-CD2 4.26Å; F101-W105 AromaticContact CE2-CG 3.78Å; F101-W105 HydrophobicContact CE2-CG 3.78Å; F101-W105 AromaticContact CE2-NE1 3.39Å; F101-W105 AromaticContact CG-CD1 3.8Å; F101-W105 HydrophobicContact CZ-CB 4.32Å; F101-W105 AromaticContact CZ-CD1 3.86Å; F101-W105 HydrophobicContact CZ-CG 4.02Å; F101-W105 WeakPolarHBondContact O-CB 3.36Å; F101-W105 PolarHBondContact O-N 3.35Å |
| 102 | C | 92.8 | Very high | 92.7 | Very high | 69 Ų | 69 | 92.7 Ų | 92.7 | 47% | 0.466 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.4 | -39.5 | 177.8 | -69.4 | 0 | 0 | 0 | 0 | 112 | C98 I99 A106 V107 | C98-C102 PolarHBondContact O-N 3.25Å; C98-C102 PolarHBondContact O-SG 3.49Å; C98-C102 VanDerWaalsContact O-SG 3.36Å; I99-C102 PolarHBondContact O-N 3.32Å; C102-A106 WeakPolarHBondContact O-CA 3.23Å; C102-A106 VanDerWaalsContact O-CB 3.26Å; C102-A106 WeakPolarHBondContact O-CB 3.5Å; C102-A106 PolarHBondContact O-N 3.48Å; C102-V107 PolarHBondContact O-N 3.46Å |
| 103 | H | 92.5 | Very high | 92.4 | Very high | 98 Ų | 98 | 87.1 Ų | 87.1 | 45% | 0.454 | 48% | 0.475 | S | S | . | . | I | π-helix | trans | -61.9 | -49.2 | 177.7 | -179.1 | -93.7 | 0 | 0 | 0 | 111.6 | I99 S100 F101 V107 V108 | I99-H103 WeakPolarHBondContact O-CB 3.41Å; I99-H103 PolarHBondContact O-N 3.41Å; S100-H103 PolarHBondContact O-N 2.97Å; F101-H103 VanDerWaalsContact C-N 3.26Å; F101-H103 PolarHBondContact O-N 3.35Å; H103-V107 WeakPolarHBondContact O-CA 3.35Å; H103-V107 VanDerWaalsContact O-CB 3.32Å; H103-V107 WeakPolarHBondContact O-CB 3.44Å; H103-V107 PolarHBondContact O-N 2.97Å; H103-V108 WeakPolarHBondContact O-CG2 3.4Å; H103-V108 PolarHBondContact O-N 3.41Å |
| 104 | I | 93.8 | Very high | 92.1 | Very high | 97 Ų | 97 | 89.1 Ų | 89.1 | 50% | 0.497 | 48% | 0.481 | S | S | . | . | I | π-helix | trans | -71.2 | -41.8 | -176.1 | -63.2 | 157 | 0 | 0 | 0 | 111.5 | S100 F101 P109 | S100-I104 VanDerWaalsContact O-CD1 3.28Å; S100-I104 WeakPolarHBondContact O-CD1 3.19Å; S100-I104 VanDerWaalsContact O-CG1 3.25Å; S100-I104 WeakPolarHBondContact O-CG1 3.39Å; S100-I104 PolarHBondContact O-N 3.39Å; F101-I104 PolarHBondContact O-N 3.45Å; I104-P109 WeakPolarHBondContact O-CD 3.32Å |
| 105 | W | 92.4 | Very high | 91.7 | Very high | 175 Ų | 175 | 87.3 Ų | 87.3 | 66% | 0.663 | 48% | 0.477 | S | S | * | . | I | π-helix | trans | -94.9 | -25.5 | -170.2 | -67.6 | 95.6 | 0 | 0 | 0 | 114.4 | F101 P109 | F101-W105 AromaticContact CD2-CD1 3.19Å; F101-W105 HydrophobicContact CD2-CG 4.13Å; F101-W105 AromaticContact CD2-NE1 3.46Å; F101-W105 HydrophobicContact CE1-CB 4.48Å; F101-W105 AromaticContact CE2-CD1 3.22Å; F101-W105 HydrophobicContact CE2-CD2 4.26Å; F101-W105 AromaticContact CE2-CG 3.78Å; F101-W105 HydrophobicContact CE2-CG 3.78Å; F101-W105 AromaticContact CE2-NE1 3.39Å; F101-W105 AromaticContact CG-CD1 3.8Å; F101-W105 HydrophobicContact CZ-CB 4.32Å; F101-W105 AromaticContact CZ-CD1 3.86Å; F101-W105 HydrophobicContact CZ-CG 4.02Å; F101-W105 WeakPolarHBondContact O-CB 3.36Å; F101-W105 PolarHBondContact O-N 3.35Å; W105-P109 WeakPolarHBondContact O-CG 3.29Å |
| 106 | A | 89.1 | Confident | 91.5 | Very high | 51 Ų | 51 | 88 Ų | 88 | 42% | 0.421 | 48% | 0.48 | S | S | . | . | I | π-helix | trans | -110.7 | -52 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | C102 P109 C110 | C102-A106 WeakPolarHBondContact O-CA 3.23Å; C102-A106 VanDerWaalsContact O-CB 3.26Å; C102-A106 WeakPolarHBondContact O-CB 3.5Å; C102-A106 PolarHBondContact O-N 3.48Å; A106-P109 WeakPolarHBondContact O-CD 3.18Å; A106-C110 VanDerWaalsContact O-CB 3.26Å; A106-C110 WeakPolarHBondContact O-CB 3.46Å; A106-C110 PolarHBondContact O-N 3.32Å; A106-C110 PolarHBondContact O-SG 2.97Å |
| 107 | V | 92.3 | Very high | 91.1 | Very high | 62 Ų | 62 | 86.9 Ų | 86.9 | 38% | 0.376 | 48% | 0.477 | S | S | . | . | I | π-helix | trans | -68.7 | -47.7 | -172.8 | -179.4 | 0 | 0 | 0 | 0 | 111.7 | C102 H103 C110 I111 | C102-V107 PolarHBondContact O-N 3.46Å; H103-V107 WeakPolarHBondContact O-CA 3.35Å; H103-V107 VanDerWaalsContact O-CB 3.32Å; H103-V107 WeakPolarHBondContact O-CB 3.44Å; H103-V107 PolarHBondContact O-N 2.97Å; V107-C110 PolarHBondContact O-N 3.08Å; V107-I111 HydrophobicContact CG1-CD1 3.63Å; V107-I111 HydrophobicContact CG1-CG1 4.16Å; V107-I111 VanDerWaalsContact O-CG1 3.29Å; V107-I111 WeakPolarHBondContact O-CG1 3.14Å; V107-I111 PolarHBondContact O-N 3.02Å |
| 108 | V | 92.4 | Very high | 90.6 | Very high | 56 Ų | 56 | 87.6 Ų | 87.6 | 34% | 0.339 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.6 | -47.7 | -179.2 | 172.9 | 0 | 0 | 0 | 0 | 111.9 | H103 C110 I111 K112 | H103-V108 WeakPolarHBondContact O-CG2 3.4Å; H103-V108 PolarHBondContact O-N 3.41Å; V108-C110 PolarHBondContact O-N 3.24Å; V108-I111 PolarHBondContact O-N 3.29Å; V108-K112 HydrophobicContact CG1-CG 4.45Å; V108-K112 WeakPolarHBondContact O-CG 3.45Å; V108-K112 PolarHBondContact O-N 3.46Å |
| 109 | P | 90.9 | Very high | 90.2 | Very high | 67 Ų | 67 | 90.7 Ų | 90.7 | 44% | 0.435 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.6 | -40.5 | 174.3 | -28 | 38.7 | 0 | 0 | 0 | 113.2 | I104 W105 A106 K112 S113 | I104-P109 WeakPolarHBondContact O-CD 3.32Å; W105-P109 WeakPolarHBondContact O-CG 3.29Å; A106-P109 WeakPolarHBondContact O-CD 3.18Å; P109-K112 PolarHBondContact O-N 2.99Å; P109-S113 WeakPolarHBondContact O-CB 3.35Å; P109-S113 PolarHBondContact O-N 3.29Å |
| 110 | C | 87.1 | Confident | 89.4 | Confident | 78 Ų | 78 | 88 Ų | 88 | 53% | 0.527 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.6 | -46.1 | 175 | -74.5 | 0 | 0 | 0 | 0 | 111.7 | A106 V107 V108 K112 S113 C114 | A106-C110 VanDerWaalsContact O-CB 3.26Å; A106-C110 WeakPolarHBondContact O-CB 3.46Å; A106-C110 PolarHBondContact O-N 3.32Å; A106-C110 PolarHBondContact O-SG 2.97Å; V107-C110 PolarHBondContact O-N 3.08Å; V108-C110 PolarHBondContact O-N 3.24Å; C110-K112 VanDerWaalsContact C-N 3.35Å; C110-K112 PolarHBondContact O-N 3.2Å; C110-S113 PolarHBondContact O-N 3.15Å; C110-C114 PolarHBondContact O-N 2.84Å; C110-C114 PolarHBondContact O-SG 2.96Å |
| 111 | I | 91.4 | Very high | 89 | Confident | 88 Ų | 88 | 90.7 Ų | 90.7 | 45% | 0.451 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.8 | -47 | 175.7 | -69 | 170.4 | 0 | 0 | 0 | 110.1 | V107 V108 S113 C114 L115 | V107-I111 HydrophobicContact CG1-CD1 3.63Å; V107-I111 HydrophobicContact CG1-CG1 4.16Å; V107-I111 VanDerWaalsContact O-CG1 3.29Å; V107-I111 WeakPolarHBondContact O-CG1 3.14Å; V107-I111 PolarHBondContact O-N 3.02Å; V108-I111 PolarHBondContact O-N 3.29Å; I111-S113 VanDerWaalsContact C-N 3.31Å; I111-S113 PolarHBondContact O-N 2.84Å; I111-C114 PolarHBondContact O-N 3.43Å; I111-L115 HydrophobicContact CG2-CD1 4.15Å; I111-L115 WeakPolarHBondContact O-CG 3.15Å; I111-L115 PolarHBondContact O-N 3.38Å |
| 112 | K | 88.9 | Confident | 88.6 | Confident | 131 Ų | 131 | 87.9 Ų | 87.9 | 57% | 0.57 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.9 | -39.8 | 177.6 | -67.6 | -56.5 | -174.3 | 80 | 0 | 111.8 | V108 P109 C110 L115 I116 | V108-K112 HydrophobicContact CG1-CG 4.45Å; V108-K112 WeakPolarHBondContact O-CG 3.45Å; V108-K112 PolarHBondContact O-N 3.46Å; P109-K112 PolarHBondContact O-N 2.99Å; C110-K112 VanDerWaalsContact C-N 3.35Å; C110-K112 PolarHBondContact O-N 3.2Å; K112-L115 PolarHBondContact O-N 2.8Å; K112-I116 WeakPolarHBondContact O-CG1 3.42Å; K112-I116 PolarHBondContact O-N 3.1Å; K112-I116 VanDerWaalsContact O-N 3.15Å |
| 113 | S | 87.2 | Confident | 88.3 | Confident | 65 Ų | 65 | 92.2 Ų | 92.2 | 46% | 0.455 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.4 | -47 | 175.8 | -163 | 0 | 0 | 0 | 0 | 111.8 | P109 C110 I111 L115 I116 E117 | P109-S113 WeakPolarHBondContact O-CB 3.35Å; P109-S113 PolarHBondContact O-N 3.29Å; C110-S113 PolarHBondContact O-N 3.15Å; I111-S113 VanDerWaalsContact C-N 3.31Å; I111-S113 PolarHBondContact O-N 2.84Å; S113-L115 VanDerWaalsContact C-N 3.25Å; S113-L115 PolarHBondContact O-N 2.98Å; S113-I116 PolarHBondContact O-N 3.22Å; S113-I116 VanDerWaalsContact O-N 3.1Å; S113-E117 PolarHBondContact O-N 3.3Å |
| 114 | C | 88 | Confident | 88 | Confident | 86 Ų | 86 | 92.5 Ų | 92.5 | 58% | 0.581 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59.9 | -35.3 | 176 | -70.2 | 0 | 0 | 0 | 0 | 112.4 | C110 I111 E117 S118 | C110-C114 PolarHBondContact O-N 2.84Å; C110-C114 PolarHBondContact O-SG 2.96Å; I111-C114 PolarHBondContact O-N 3.43Å; C114-E117 PolarHBondContact O-N 3.29Å; C114-S118 VanDerWaalsContact O-CB 3.26Å; C114-S118 WeakPolarHBondContact O-CB 3.41Å; C114-S118 PolarHBondContact O-N 3.39Å |
| 115 | L | 87.8 | Confident | 87.7 | Confident | 99 Ų | 99 | 95 Ų | 95 | 52% | 0.518 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.6 | -37.1 | 175.5 | -72.1 | 172.9 | 0 | 0 | 0 | 112.4 | I111 K112 S113 S118 Q119 | I111-L115 HydrophobicContact CG2-CD1 4.15Å; I111-L115 WeakPolarHBondContact O-CG 3.15Å; I111-L115 PolarHBondContact O-N 3.38Å; K112-L115 PolarHBondContact O-N 2.8Å; S113-L115 VanDerWaalsContact C-N 3.25Å; S113-L115 PolarHBondContact O-N 2.98Å; L115-S118 PolarHBondContact O-N 3.24Å; L115-Q119 WeakPolarHBondContact O-CG 3.43Å; L115-Q119 PolarHBondContact O-N 3.22Å |
| 116 | I | 90.1 | Very high | 87.5 | Confident | 103 Ų | 103 | 89.6 Ų | 89.6 | 53% | 0.528 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.1 | -45.5 | 175.1 | -65.2 | 162.6 | 0 | 0 | 0 | 110.2 | K112 S113 S118 Q119 C120 | K112-I116 WeakPolarHBondContact O-CG1 3.42Å; K112-I116 PolarHBondContact O-N 3.1Å; K112-I116 VanDerWaalsContact O-N 3.15Å; S113-I116 PolarHBondContact O-N 3.22Å; S113-I116 VanDerWaalsContact O-N 3.1Å; I116-S118 VanDerWaalsContact C-N 3.33Å; I116-S118 PolarHBondContact O-N 3.46Å; I116-Q119 WeakPolarHBondContact O-CB 3.39Å; I116-Q119 PolarHBondContact O-N 2.82Å; I116-C120 PolarHBondContact O-N 3.28Å; I116-C120 VanDerWaalsContact O-N 3.15Å |
| 117 | E | 85.9 | Confident | 87.4 | Confident | 121 Ų | 121 | 92.2 Ų | 92.2 | 57% | 0.565 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59.2 | -44.7 | 174.4 | -70 | -61.8 | 144.1 | 0 | 0 | 111.4 | S113 C114 Q119 C120 V121 | S113-E117 PolarHBondContact O-N 3.3Å; C114-E117 PolarHBondContact O-N 3.29Å; E117-Q119 VanDerWaalsContact C-N 3.31Å; E117-Q119 PolarHBondContact O-N 3.34Å; E117-C120 WeakPolarHBondContact O-CB 3.26Å; E117-C120 PolarHBondContact O-N 3.02Å; E117-C120 VanDerWaalsContact O-N 3.08Å; E117-V121 WeakPolarHBondContact O-CG2 3.42Å; E117-V121 PolarHBondContact O-N 2.99Å |
| 118 | S | 83.5 | Confident | 87.1 | Confident | 70 Ų | 70 | 92 Ų | 92 | 49% | 0.49 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.5 | -37.1 | 176.7 | -175.1 | 0 | 0 | 0 | 0 | 112.5 | C114 L115 I116 C120 V121 S122 | C114-S118 VanDerWaalsContact O-CB 3.26Å; C114-S118 WeakPolarHBondContact O-CB 3.41Å; C114-S118 PolarHBondContact O-N 3.39Å; L115-S118 PolarHBondContact O-N 3.24Å; I116-S118 VanDerWaalsContact C-N 3.33Å; I116-S118 PolarHBondContact O-N 3.46Å; S118-C120 VanDerWaalsContact C-N 3.34Å; S118-C120 PolarHBondContact O-N 3.01Å; S118-V121 PolarHBondContact O-N 2.89Å; S118-S122 VanDerWaalsContact O-CB 3.3Å; S118-S122 WeakPolarHBondContact O-CB 3.45Å; S118-S122 PolarHBondContact O-N 3.04Å |
| 119 | Q | 84.3 | Confident | 87 | Confident | 115 Ų | 115 | 92.2 Ų | 92.2 | 54% | 0.537 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.8 | -37.9 | 173 | -77.5 | -178 | -5.4 | 0 | 0 | 112.3 | L115 I116 E117 R123 | L115-Q119 WeakPolarHBondContact O-CG 3.43Å; L115-Q119 PolarHBondContact O-N 3.22Å; I116-Q119 WeakPolarHBondContact O-CB 3.39Å; I116-Q119 PolarHBondContact O-N 2.82Å; E117-Q119 VanDerWaalsContact C-N 3.31Å; E117-Q119 PolarHBondContact O-N 3.34Å; Q119-R123 WeakPolarHBondContact O-CG 3.28Å; Q119-R123 PolarHBondContact O-N 2.92Å; Q119-R123 VanDerWaalsContact O-N 3.09Å |
| 120 | C | 78.4 | Confident | 86.8 | Confident | 56 Ų | 56 | 95 Ų | 95 | 38% | 0.378 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.9 | -47.6 | 173.7 | -77.6 | 0 | 0 | 0 | 0 | 111.7 | I116 E117 S118 S122 R123 I124 | I116-C120 PolarHBondContact O-N 3.28Å; I116-C120 VanDerWaalsContact O-N 3.15Å; E117-C120 WeakPolarHBondContact O-CB 3.26Å; E117-C120 PolarHBondContact O-N 3.02Å; E117-C120 VanDerWaalsContact O-N 3.08Å; S118-C120 VanDerWaalsContact C-N 3.34Å; S118-C120 PolarHBondContact O-N 3.01Å; C120-S122 VanDerWaalsContact C-N 3.3Å; C120-S122 PolarHBondContact O-N 3.37Å; C120-R123 PolarHBondContact O-N 3.09Å; C120-I124 WeakPolarHBondContact O-CG1 3.45Å; C120-I124 PolarHBondContact O-N 3.15Å |
| 121 | V | 86.2 | Confident | 86.8 | Confident | 94 Ų | 94 | 95.5 Ų | 95.5 | 57% | 0.57 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60 | -42.1 | 176.5 | 175 | 0 | 0 | 0 | 0 | 111.1 | E117 S118 R123 I124 Y125 | E117-V121 WeakPolarHBondContact O-CG2 3.42Å; E117-V121 PolarHBondContact O-N 2.99Å; S118-V121 PolarHBondContact O-N 2.89Å; V121-R123 VanDerWaalsContact C-N 3.34Å; V121-R123 PolarHBondContact O-N 2.99Å; V121-I124 PolarHBondContact O-N 3.36Å; V121-Y125 VanDerWaalsContact O-CB 3.23Å; V121-Y125 WeakPolarHBondContact O-CB 3.05Å; V121-Y125 PolarHBondContact O-N 3.09Å |
| 122 | S | 86.4 | Confident | 86.4 | Confident | 65 Ų | 65 | 98.2 Ų | 98.2 | 46% | 0.455 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.6 | -41.8 | 176.9 | 174.1 | 0 | 0 | 0 | 0 | 111.9 | S118 C120 Y125 S126 | S118-S122 VanDerWaalsContact O-CB 3.3Å; S118-S122 WeakPolarHBondContact O-CB 3.45Å; S118-S122 PolarHBondContact O-N 3.04Å; C120-S122 VanDerWaalsContact C-N 3.3Å; C120-S122 PolarHBondContact O-N 3.37Å; S122-Y125 PolarHBondContact O-N 3.34Å; S122-S126 WeakPolarHBondContact O-CB 3.32Å; S122-S126 PolarHBondContact O-N 2.9Å; S122-S126 PolarHBondContact O-OG 3.45Å; S122-S126 VanDerWaalsContact O-OG 3.13Å |
| 123 | R | 84.9 | Confident | 86 | Confident | 160 Ų | 160 | 94.2 Ų | 94.2 | 60% | 0.604 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.6 | -44.5 | 175.7 | -71.5 | 179.1 | -164.9 | 152.4 | 5.9 | 112.1 | Q119 C120 V121 Y125 S126 L127 | Q119-R123 WeakPolarHBondContact O-CG 3.28Å; Q119-R123 PolarHBondContact O-N 2.92Å; Q119-R123 VanDerWaalsContact O-N 3.09Å; C120-R123 PolarHBondContact O-N 3.09Å; V121-R123 VanDerWaalsContact C-N 3.34Å; V121-R123 PolarHBondContact O-N 2.99Å; R123-Y125 VanDerWaalsContact C-N 3.31Å; R123-Y125 PolarHBondContact O-N 2.9Å; R123-S126 PolarHBondContact O-N 3.37Å; R123-L127 VanDerWaalsContact O-CG 3.31Å; R123-L127 WeakPolarHBondContact O-CG 3.14Å; R123-L127 PolarHBondContact O-N 3.16Å |
| 124 | I | 87.8 | Confident | 85.8 | Confident | 103 Ų | 103 | 94.9 Ų | 94.9 | 53% | 0.528 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.3 | -45.4 | 176.7 | -65.3 | 164.7 | 0 | 0 | 0 | 109.8 | C120 V121 S126 L127 C128 | C120-I124 WeakPolarHBondContact O-CG1 3.45Å; C120-I124 PolarHBondContact O-N 3.15Å; V121-I124 PolarHBondContact O-N 3.36Å; I124-S126 PolarHBondContact O-N 3.07Å; I124-L127 WeakPolarHBondContact O-CB 3.38Å; I124-L127 PolarHBondContact O-N 3.01Å; I124-C128 PolarHBondContact O-N 3.32Å; I124-C128 PolarHBondContact O-SG 2.91Å |
| 125 | Y | 87.7 | Confident | 85.6 | Confident | 149 Ų | 149 | 94.2 Ų | 94.2 | 58% | 0.584 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -59.4 | -46 | 177 | 179 | -102.7 | 0 | 0 | 0 | 112.3 | V121 S122 R123 L127 C128 I129 | V121-Y125 VanDerWaalsContact O-CB 3.23Å; V121-Y125 WeakPolarHBondContact O-CB 3.05Å; V121-Y125 PolarHBondContact O-N 3.09Å; S122-Y125 PolarHBondContact O-N 3.34Å; R123-Y125 VanDerWaalsContact C-N 3.31Å; R123-Y125 PolarHBondContact O-N 2.9Å; Y125-L127 PolarHBondContact O-N 3.49Å; Y125-C128 WeakPolarHBondContact O-CB 3.17Å; Y125-C128 PolarHBondContact O-N 2.73Å; Y125-I129 HydrophobicContact CD1-CD1 4.18Å; Y125-I129 HydrophobicContact CE1-CD1 3.47Å; Y125-I129 VanDerWaalsContact CE1-CD1 3.47Å; Y125-I129 HydrophobicContact CE1-CG1 4.35Å; Y125-I129 HydrophobicContact CE2-CD1 4.25Å; Y125-I129 PolarHBondContact O-N 2.68Å |
| 126 | S | 87.5 | Confident | 85.4 | Confident | 63 Ų | 63 | 95.8 Ų | 95.8 | 44% | 0.441 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61 | -42.5 | 174.3 | -66.4 | 0 | 0 | 0 | 0 | 112.4 | S122 R123 I124 C128 I129 Q130 | S122-S126 WeakPolarHBondContact O-CB 3.32Å; S122-S126 PolarHBondContact O-N 2.9Å; S122-S126 PolarHBondContact O-OG 3.45Å; S122-S126 VanDerWaalsContact O-OG 3.13Å; R123-S126 PolarHBondContact O-N 3.37Å; I124-S126 PolarHBondContact O-N 3.07Å; S126-C128 VanDerWaalsContact C-N 3.35Å; S126-C128 PolarHBondContact O-N 3.4Å; S126-I129 PolarHBondContact O-N 3.35Å; S126-Q130 WeakPolarHBondContact O-CB 3.13Å; S126-Q130 PolarHBondContact O-N 3.47Å |
| 127 | L | 87.3 | Confident | 85.1 | Confident | 105 Ų | 105 | 97.3 Ų | 97.3 | 55% | 0.55 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.8 | -40.6 | 175.3 | -72.2 | 170 | 0 | 0 | 0 | 111.8 | R123 I124 Y125 Q130 T131 | R123-L127 VanDerWaalsContact O-CG 3.31Å; R123-L127 WeakPolarHBondContact O-CG 3.14Å; R123-L127 PolarHBondContact O-N 3.16Å; I124-L127 WeakPolarHBondContact O-CB 3.38Å; I124-L127 PolarHBondContact O-N 3.01Å; Y125-L127 PolarHBondContact O-N 3.49Å; L127-Q130 PolarHBondContact O-N 2.95Å; L127-T131 VanDerWaalsContact O-CB 3.3Å; L127-T131 WeakPolarHBondContact O-CB 3.39Å; L127-T131 PolarHBondContact O-N 3.19Å; L127-T131 PolarHBondContact O-OG1 3.07Å |
| 128 | C | 86.3 | Confident | 85 | Confident | 59 Ų | 59 | 97.3 Ų | 97.3 | 40% | 0.399 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.4 | -45.7 | 175.4 | -71.5 | 0 | 0 | 0 | 0 | 111.6 | I124 Y125 S126 Q130 T131 F132 | I124-C128 PolarHBondContact O-N 3.32Å; I124-C128 PolarHBondContact O-SG 2.91Å; Y125-C128 WeakPolarHBondContact O-CB 3.17Å; Y125-C128 PolarHBondContact O-N 2.73Å; S126-C128 VanDerWaalsContact C-N 3.35Å; S126-C128 PolarHBondContact O-N 3.4Å; C128-Q130 VanDerWaalsContact C-N 3.34Å; C128-Q130 PolarHBondContact O-N 3.41Å; C128-T131 PolarHBondContact O-N 3.46Å; C128-F132 WeakPolarHBondContact O-CB 3.45Å; C128-F132 WeakPolarHBondContact O-CD2 3.26Å; C128-F132 PolarHBondContact O-N 3.07Å |
| 129 | I | 88.9 | Confident | 85.1 | Confident | 60 Ų | 60 | 96.3 Ų | 96.3 | 31% | 0.308 | 50% | 0.498 | S | S | . | . | I | π-helix | trans | -60 | -47.2 | 175.6 | -71.6 | -170.7 | 0 | 0 | 0 | 110.4 | Y125 S126 T131 F132 C133 D134 | Y125-I129 HydrophobicContact CD1-CD1 4.18Å; Y125-I129 HydrophobicContact CE1-CD1 3.47Å; Y125-I129 VanDerWaalsContact CE1-CD1 3.47Å; Y125-I129 HydrophobicContact CE1-CG1 4.35Å; Y125-I129 HydrophobicContact CE2-CD1 4.25Å; Y125-I129 PolarHBondContact O-N 2.68Å; S126-I129 PolarHBondContact O-N 3.35Å; I129-T131 VanDerWaalsContact C-N 3.3Å; I129-T131 PolarHBondContact O-N 2.99Å; I129-F132 PolarHBondContact O-N 3.45Å; I129-C133 HydrophobicContact CB-CB 4.46Å; I129-C133 HydrophobicContact CG2-CB 3.95Å; I129-C133 CarbonylContact O-C 3.58Å; I129-C133 VanDerWaalsContact O-CA 3.29Å; I129-C133 WeakPolarHBondContact O-CA 3.26Å; I129-C133 WeakPolarHBondContact O-CB 3.43Å; I129-C133 PolarHBondContact O-N 2.93Å; I129-D134 PolarHBondContact O-N 2.77Å |
| 130 | Q | 87.7 | Confident | 85.1 | Confident | 125 Ų | 125 | 93.6 Ų | 93.6 | 58% | 0.584 | 49% | 0.487 | S | S | * | . | I | π-helix | trans | -67.1 | -30.4 | -178.9 | -173.3 | 159.5 | 15.7 | 0 | 0 | 113.3 | S126 L127 C128 D134 | S126-Q130 WeakPolarHBondContact O-CB 3.13Å; S126-Q130 PolarHBondContact O-N 3.47Å; L127-Q130 PolarHBondContact O-N 2.95Å; C128-Q130 VanDerWaalsContact C-N 3.34Å; C128-Q130 PolarHBondContact O-N 3.41Å; Q130-D134 WeakPolarHBondContact CA-OD2 3.4Å; Q130-D134 WeakPolarHBondContact CG-OD2 3.16Å; Q130-D134 WeakPolarHBondContact O-CB 3.31Å |
| 131 | T | 86.4 | Confident | 85.4 | Confident | 88 Ų | 88 | 92.9 Ų | 92.9 | 54% | 0.54 | 49% | 0.489 | S | S | . | . | I | π-helix | trans | -83.8 | -33.3 | -179 | -52.1 | 0 | 0 | 0 | 0 | 112.5 | L127 C128 I129 P135 | L127-T131 VanDerWaalsContact O-CB 3.3Å; L127-T131 WeakPolarHBondContact O-CB 3.39Å; L127-T131 PolarHBondContact O-N 3.19Å; L127-T131 PolarHBondContact O-OG1 3.07Å; C128-T131 PolarHBondContact O-N 3.46Å; I129-T131 VanDerWaalsContact C-N 3.3Å; I129-T131 PolarHBondContact O-N 2.99Å; T131-P135 WeakPolarHBondContact O-CG 3.49Å |
| 132 | F | 83 | Confident | 85.1 | Confident | 146 Ų | 146 | 94.6 Ų | 94.6 | 64% | 0.64 | 49% | 0.489 | S | S | * | . | I | π-helix | trans | -110.8 | -48.7 | -173.9 | -69 | -76.8 | 0 | 0 | 0 | 113 | C128 I129 F136 | C128-F132 WeakPolarHBondContact O-CB 3.45Å; C128-F132 WeakPolarHBondContact O-CD2 3.26Å; C128-F132 PolarHBondContact O-N 3.07Å; I129-F132 PolarHBondContact O-N 3.45Å; F132-F136 WeakPolarHBondContact O-CB 2.93Å; F132-F136 PolarHBondContact O-N 2.85Å |
| 133 | C | 80.1 | Confident | 84.9 | Confident | 46 Ų | 46 | 96.8 Ų | 96.8 | 31% | 0.311 | 49% | 0.494 | S | S | . | . | I | π-helix | trans | -75 | -45 | -175.7 | -62.6 | 0 | 0 | 0 | 0 | 111.3 | I129 F136 F137 | I129-C133 HydrophobicContact CB-CB 4.46Å; I129-C133 HydrophobicContact CG2-CB 3.95Å; I129-C133 CarbonylContact O-C 3.58Å; I129-C133 VanDerWaalsContact O-CA 3.29Å; I129-C133 WeakPolarHBondContact O-CA 3.26Å; I129-C133 WeakPolarHBondContact O-CB 3.43Å; I129-C133 PolarHBondContact O-N 2.93Å; C133-F136 PolarHBondContact O-N 3.02Å; C133-F136 VanDerWaalsContact O-N 3.14Å; C133-F137 HydrophobicContact CB-CD2 3.89Å; C133-F137 HydrophobicContact CB-CE2 3.9Å; C133-F137 WeakPolarHBondContact O-CB 3.27Å; C133-F137 WeakPolarHBondContact O-CD2 3.3Å; C133-F137 PolarHBondContact O-N 3.44Å |
| 134 | D | 82.4 | Confident | 84.5 | Confident | 79 Ų | 79 | 96.2 Ų | 96.2 | 42% | 0.422 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -56.9 | -52.1 | 179.8 | -72.3 | -2.4 | 0 | 0 | 0 | 113.3 | I129 Q130 F136 F137 E138 | I129-D134 PolarHBondContact O-N 2.77Å; Q130-D134 WeakPolarHBondContact CA-OD2 3.4Å; Q130-D134 WeakPolarHBondContact CG-OD2 3.16Å; Q130-D134 WeakPolarHBondContact O-CB 3.31Å; D134-F136 VanDerWaalsContact C-N 3.26Å; D134-F136 PolarHBondContact O-N 3.46Å; D134-F137 PolarHBondContact O-N 2.87Å; D134-E138 WeakPolarHBondContact O-CB 3.38Å; D134-E138 PolarHBondContact O-N 3.37Å |
| 135 | P | 84.8 | Confident | 83.8 | Confident | 72 Ų | 72 | 95.8 Ų | 95.8 | 47% | 0.468 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66 | -30 | 177.6 | 23.9 | -32.2 | 0 | 0 | 0 | 112.6 | T131 A139 | T131-P135 WeakPolarHBondContact O-CG 3.49Å; P135-A139 VanDerWaalsContact O-CB 3.28Å; P135-A139 WeakPolarHBondContact O-CB 3.25Å; P135-A139 PolarHBondContact O-N 3.35Å |
| 136 | F | 84.1 | Confident | 82.8 | Confident | 133 Ų | 133 | 93.6 Ų | 93.6 | 58% | 0.583 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -70.5 | -46.9 | 177.3 | -170.7 | -100.5 | 0 | 0 | 0 | 112 | F132 C133 D134 A139 L140 | F132-F136 WeakPolarHBondContact O-CB 2.93Å; F132-F136 PolarHBondContact O-N 2.85Å; C133-F136 PolarHBondContact O-N 3.02Å; C133-F136 VanDerWaalsContact O-N 3.14Å; D134-F136 VanDerWaalsContact C-N 3.26Å; D134-F136 PolarHBondContact O-N 3.46Å; F136-A139 PolarHBondContact O-N 2.9Å; F136-L140 HydrophobicContact CD1-CD1 3.73Å; F136-L140 HydrophobicContact CD1-CG 4.37Å; F136-L140 HydrophobicContact CE1-CD1 3.5Å; F136-L140 VanDerWaalsContact CE1-CD1 3.5Å; F136-L140 HydrophobicContact CE1-CG 4.22Å; F136-L140 HydrophobicContact CZ-CD1 4.29Å; F136-L140 WeakPolarHBondContact O-CG 3.47Å; F136-L140 PolarHBondContact O-N 3.4Å |
| 137 | F | 83.2 | Confident | 82 | Confident | 135 Ų | 135 | 95.4 Ų | 95.4 | 59% | 0.592 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -68.2 | -34.9 | 176 | -77.7 | -68.3 | 0 | 0 | 0 | 111.9 | C133 D134 L140 G141 | C133-F137 HydrophobicContact CB-CD2 3.89Å; C133-F137 HydrophobicContact CB-CE2 3.9Å; C133-F137 WeakPolarHBondContact O-CB 3.27Å; C133-F137 WeakPolarHBondContact O-CD2 3.3Å; C133-F137 PolarHBondContact O-N 3.44Å; D134-F137 PolarHBondContact O-N 2.87Å; F137-L140 HydrophobicContact CD1-CD1 4.32Å; F137-L140 PolarHBondContact O-N 2.72Å; F137-G141 PolarHBondContact O-N 3.02Å |
| 138 | E | 84.4 | Confident | 80.8 | Confident | 120 Ų | 120 | 101.6 Ų | 101.6 | 56% | 0.561 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64 | -43.4 | 171.1 | 176.4 | 128.2 | -171.9 | 0 | 0 | 111.6 | D134 G141 K142 | D134-E138 WeakPolarHBondContact O-CB 3.38Å; D134-E138 PolarHBondContact O-N 3.37Å; E138-G141 PolarHBondContact O-N 2.9Å; E138-K142 PolarHBondContact O-N 3.04Å; E138-K142 IonicContact OE1-NZ 3.05Å; E138-K142 PolarHBondContact OE1-NZ 2.94Å |
| 139 | A | 84.6 | Confident | 79.9 | Confident | 49 Ų | 49 | 104.5 Ų | 104.5 | 41% | 0.405 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.7 | -44.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | P135 F136 G141 K142 I143 | P135-A139 VanDerWaalsContact O-CB 3.28Å; P135-A139 WeakPolarHBondContact O-CB 3.25Å; P135-A139 PolarHBondContact O-N 3.35Å; F136-A139 PolarHBondContact O-N 2.9Å; A139-G141 VanDerWaalsContact C-N 3.35Å; A139-G141 PolarHBondContact O-N 2.88Å; A139-K142 PolarHBondContact O-N 3.22Å; A139-I143 WeakPolarHBondContact O-CG1 3.24Å; A139-I143 PolarHBondContact O-N 2.9Å; A139-I143 VanDerWaalsContact O-N 3.1Å |
| 140 | L | 84.1 | Confident | 78.8 | Confident | 58 Ų | 58 | 106.2 Ų | 106.2 | 30% | 0.304 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61.1 | -42.5 | 173.9 | -72.8 | 174.7 | 0 | 0 | 0 | 111.9 | F136 F137 K142 I143 F144 | F136-L140 HydrophobicContact CD1-CD1 3.73Å; F136-L140 HydrophobicContact CD1-CG 4.37Å; F136-L140 HydrophobicContact CE1-CD1 3.5Å; F136-L140 VanDerWaalsContact CE1-CD1 3.5Å; F136-L140 HydrophobicContact CE1-CG 4.22Å; F136-L140 HydrophobicContact CZ-CD1 4.29Å; F136-L140 WeakPolarHBondContact O-CG 3.47Å; F136-L140 PolarHBondContact O-N 3.4Å; F137-L140 HydrophobicContact CD1-CD1 4.32Å; F137-L140 PolarHBondContact O-N 2.72Å; L140-K142 VanDerWaalsContact C-N 3.3Å; L140-K142 PolarHBondContact O-N 3.42Å; L140-I143 WeakPolarHBondContact O-CB 3.35Å; L140-I143 PolarHBondContact O-N 3.14Å; L140-F144 WeakPolarHBondContact O-CD2 3.45Å; L140-F144 PolarHBondContact O-N 2.9Å |
| 141 | G | 84.5 | Confident | 77.7 | Confident | 41 Ų | 41 | 108.1 Ų | 108.1 | 42% | 0.423 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -59.1 | -39.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | F137 E138 A139 F144 S145 | F137-G141 PolarHBondContact O-N 3.02Å; E138-G141 PolarHBondContact O-N 2.9Å; A139-G141 VanDerWaalsContact C-N 3.35Å; A139-G141 PolarHBondContact O-N 2.88Å; G141-F144 PolarHBondContact O-N 3.27Å; G141-S145 WeakPolarHBondContact O-CB 3.37Å; G141-S145 PolarHBondContact O-N 3.4Å |
| 142 | K | 81.3 | Confident | 76.5 | Confident | 131 Ų | 131 | 113.3 Ų | 113.3 | 57% | 0.57 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -66.8 | -38.1 | 174.7 | -75.2 | 174.1 | -177 | 150.2 | 0 | 112.9 | E138 A139 L140 S145 S146 | E138-K142 PolarHBondContact O-N 3.04Å; E138-K142 IonicContact OE1-NZ 3.05Å; E138-K142 PolarHBondContact OE1-NZ 2.94Å; A139-K142 PolarHBondContact O-N 3.22Å; L140-K142 VanDerWaalsContact C-N 3.3Å; L140-K142 PolarHBondContact O-N 3.42Å; K142-S145 PolarHBondContact O-N 2.78Å; K142-S146 PolarHBondContact O-N 3.05Å |
| 143 | I | 81.3 | Confident | 75.4 | Confident | 110 Ų | 110 | 115.7 Ų | 115.7 | 56% | 0.564 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -62.5 | -47.1 | 175.4 | -66.5 | 165.4 | 0 | 0 | 0 | 110.2 | A139 L140 S146 | A139-I143 WeakPolarHBondContact O-CG1 3.24Å; A139-I143 PolarHBondContact O-N 2.9Å; A139-I143 VanDerWaalsContact O-N 3.1Å; L140-I143 WeakPolarHBondContact O-CB 3.35Å; L140-I143 PolarHBondContact O-N 3.14Å; I143-S146 PolarHBondContact O-N 3.35Å |
| 144 | F | 76.4 | Confident | 74.4 | Confident | 148 Ų | 148 | 120.8 Ų | 120.8 | 65% | 0.649 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -72.9 | -31.1 | 178.5 | -70.1 | -60.2 | 0 | 0 | 0 | 113.5 | L140 G141 S146 V147 | L140-F144 WeakPolarHBondContact O-CD2 3.45Å; L140-F144 PolarHBondContact O-N 2.9Å; G141-F144 PolarHBondContact O-N 3.27Å; F144-S146 PolarHBondContact O-N 2.82Å; F144-V147 WeakPolarHBondContact O-CB 3.48Å; F144-V147 PolarHBondContact O-N 2.94Å; F144-V147 VanDerWaalsContact O-N 3.08Å |
| 145 | S | 73 | Confident | 72.9 | Confident | 94 Ų | 94 | 127 Ų | 127 | 66% | 0.657 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -60.4 | -27.2 | 174.1 | 168.6 | 0 | 0 | 0 | 0 | 113.1 | G141 K142 V147 | G141-S145 WeakPolarHBondContact O-CB 3.37Å; G141-S145 PolarHBondContact O-N 3.4Å; K142-S145 PolarHBondContact O-N 2.78Å; S145-V147 PolarHBondContact O-N 3.45Å |
| 146 | S | 67.7 | Low | 72.3 | Confident | 104 Ų | 104 | 129.7 Ų | 129.7 | 73% | 0.727 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -10.9 | 178.9 | -158.8 | 0 | 0 | 0 | 0 | 112.8 | K142 I143 F144 R148 | K142-S146 PolarHBondContact O-N 3.05Å; I143-S146 PolarHBondContact O-N 3.35Å; F144-S146 PolarHBondContact O-N 2.82Å; S146-R148 PolarHBondContact O-N 2.62Å; S146-R148 VanDerWaalsContact O-N 3.15Å |
| 147 | V | 69.4 | Low | 71.7 | Confident | 101 Ų | 101 | 129.5 Ų | 129.5 | 61% | 0.612 | 68% | 0.679 | S | S | * | * | trans | -85 | 82.5 | 174.3 | -174.3 | 0 | 0 | 0 | 0 | 108.8 | F144 S145 V149 | F144-V147 WeakPolarHBondContact O-CB 3.48Å; F144-V147 PolarHBondContact O-N 2.94Å; F144-V147 VanDerWaalsContact O-N 3.08Å; S145-V147 PolarHBondContact O-N 3.45Å; V147-V149 HydrophobicContact CG1-CG2 4.36Å; V147-V149 PolarHBondContact O-N 3.15Å | ||
| 148 | R | 63.7 | Low | 71 | Confident | 235 Ų | 235 | 129.2 Ų | 129.2 | 89% | 0.887 | 68% | 0.684 | S | S | * | * | trans | -78 | 103.7 | 169.1 | -91.7 | -175.7 | 162.9 | -153.9 | -3 | 109.7 | S146 A150 | S146-R148 PolarHBondContact O-N 2.62Å; S146-R148 VanDerWaalsContact O-N 3.15Å; R148-A150 PolarHBondContact O-N 3.33Å | ||
| 149 | V | 67.3 | Low | 70.2 | Confident | 119 Ų | 119 | 129.8 Ų | 129.8 | 72% | 0.721 | 69% | 0.691 | S | S | * | * | trans | -74.5 | 105.7 | 169.7 | -178 | 0 | 0 | 0 | 0 | 108.5 | V147 L151 | V147-V149 HydrophobicContact CG1-CG2 4.36Å; V147-V149 PolarHBondContact O-N 3.15Å; V149-L151 PolarHBondContact O-N 3.13Å | ||
| 150 | A | 64.9 | Low | 69.3 | Low | 96 Ų | 96 | 134.8 Ų | 134.8 | 79% | 0.793 | 71% | 0.709 | S | S | * | * | trans | -79.1 | 100.4 | 169 | 0 | 0 | 0 | 0 | 0 | 108.6 | R148 R152 | R148-A150 PolarHBondContact O-N 3.33Å; A150-R152 PolarHBondContact O-N 2.8Å | ||
| 151 | L | 65.6 | Low | 68.4 | Low | 165 Ų | 165 | 139.9 Ų | 139.9 | 86% | 0.864 | 74% | 0.736 | S | S | * | * | trans | -67.9 | 99.3 | 168.7 | -88.4 | 160.7 | 0 | 0 | 0 | 108.6 | V149 K153 | V149-L151 PolarHBondContact O-N 3.13Å; L151-K153 PolarHBondContact O-N 2.94Å | ||
| 152 | R | 61.4 | Low | 67.2 | Low | 198 Ų | 198 | 147 Ų | 147 | 75% | 0.747 | 76% | 0.759 | S | S | * | * | trans | -72.6 | 110.9 | 165.7 | -178.8 | 177.5 | -71.6 | -85.1 | 0.6 | 107.2 | A150 E154 | A150-R152 PolarHBondContact O-N 2.8Å; R152-E154 WeakPolarHBondContact CD-OE1 3.07Å; R152-E154 VanDerWaalsContact CG-OE1 3.32Å; R152-E154 WeakPolarHBondContact CG-OE1 3.5Å; R152-E154 PolarHBondContact O-N 2.83Å | ||
| 153 | K | 59.9 | Low | 66.1 | Low | 195 Ų | 195 | 148.2 Ų | 148.2 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | trans | -82.8 | 100.2 | 169.6 | -165.2 | 175.1 | -176.9 | 175.5 | 0 | 107 | L151 | L151-K153 PolarHBondContact O-N 2.94Š| ||
| 154 | E | 59.2 | Low | 64.9 | Low | 153 Ų | 153 | 151.4 Ų | 151.4 | 72% | 0.715 | 79% | 0.791 | S | S | * | * | trans | -66.3 | 129.8 | 170.4 | -39.4 | -76.7 | 150.6 | 0 | 0 | 107.9 | R152 | R152-E154 WeakPolarHBondContact CD-OE1 3.07Å; R152-E154 VanDerWaalsContact CG-OE1 3.32Å; R152-E154 WeakPolarHBondContact CG-OE1 3.5Å; R152-E154 PolarHBondContact O-N 2.83Å | ||
| 155 | V | 49.7 | Very low | 63.8 | Low | 209 Ų | 209 | 151.7 Ų | 151.7 | 100% | 1.267 | 80% | 0.804 | S | S | * | * | trans | -100.5 | 0 | 170.7 | 177.5 | 0 | 0 | 0 | 0 | 108.1 |
Retrieved 155 of 155 residues in 224.6 ms
(Link to these results)