| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 51.6 | Low | 66 | Low | 219 Ų | 219 | 113.7 Ų | 113.7 | 100% | 1.079 | 62% | 0.616 | S | S | * | * | 0 | -29.5 | 0 | -70.2 | 178.8 | 73.2 | 0 | 0 | 113.4 | |||||
| 2 | T | 58.2 | Low | 66.5 | Low | 125 Ų | 125 | 114.5 Ų | 114.5 | 77% | 0.767 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -78.9 | -30.3 | -175.9 | 48.3 | 0 | 0 | 0 | 0 | 114.7 | L6 | T2-L6 PolarHBondContact O-N 2.91Å; T2-L6 VanDerWaalsContact O-N 3.16Å |
| 3 | Q | 54.6 | Low | 66.4 | Low | 144 Ų | 144 | 112.6 Ų | 112.6 | 67% | 0.673 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -70.6 | -43.5 | -179 | -176 | 171.3 | -13.5 | 0 | 0 | 112.9 | A5 L6 L7 | Q3-A5 VanDerWaalsContact C-N 3.32Å; Q3-A5 PolarHBondContact O-N 3.23Å; Q3-L6 PolarHBondContact O-N 3.23Å; Q3-L7 PolarHBondContact O-N 3.3Å; Q3-L7 VanDerWaalsContact O-N 3.08Å |
| 4 | E | 61.4 | Low | 66.1 | Low | 136 Ų | 136 | 109 Ų | 109 | 64% | 0.636 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -63.3 | -38.6 | 175.6 | -61.1 | -55 | 125.8 | 0 | 0 | 111.9 | L7 A8 | E4-L7 PolarHBondContact O-N 3.32Å; E4-A8 WeakPolarHBondContact O-CB 3.4Å; E4-A8 PolarHBondContact O-N 2.65Å |
| 5 | A | 69.8 | Low | 66 | Low | 60 Ų | 60 | 116.5 Ų | 116.5 | 50% | 0.496 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -66.6 | -37.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q3 L9 | Q3-A5 VanDerWaalsContact C-N 3.32Å; Q3-A5 PolarHBondContact O-N 3.23Å; A5-L9 VanDerWaalsContact O-CB 3.3Å; A5-L9 WeakPolarHBondContact O-CB 3.41Å; A5-L9 PolarHBondContact O-N 2.84Å |
| 6 | L | 67.4 | Low | 65.6 | Low | 107 Ų | 107 | 117.6 Ų | 117.6 | 56% | 0.56 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -66.7 | -42.4 | 175.9 | -168.8 | 83.7 | 0 | 0 | 0 | 111.3 | T2 Q3 L9 L10 | T2-L6 PolarHBondContact O-N 2.91Å; T2-L6 VanDerWaalsContact O-N 3.16Å; Q3-L6 PolarHBondContact O-N 3.23Å; L6-L9 PolarHBondContact O-N 3.21Å; L6-L10 HydrophobicContact CG-CD1 4.33Å; L6-L10 VanDerWaalsContact O-CG 3.3Å; L6-L10 WeakPolarHBondContact O-CG 3.47Å; L6-L10 PolarHBondContact O-N 3.07Å |
| 7 | L | 69.5 | Low | 65 | Low | 92 Ų | 92 | 117.8 Ų | 117.8 | 48% | 0.482 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -68.9 | -40.4 | -178.7 | -147.8 | 136.4 | 0 | 0 | 0 | 111.1 | Q3 E4 L10 L11 | Q3-L7 PolarHBondContact O-N 3.3Å; Q3-L7 VanDerWaalsContact O-N 3.08Å; E4-L7 PolarHBondContact O-N 3.32Å; L7-L10 PolarHBondContact O-N 2.88Å; L7-L11 HydrophobicContact CD2-CD1 3.98Å; L7-L11 VanDerWaalsContact O-CG 3.31Å; L7-L11 WeakPolarHBondContact O-CG 3.07Å; L7-L11 PolarHBondContact O-N 2.88Å |
| 8 | A | 76 | Confident | 64.5 | Low | 52 Ų | 52 | 117.3 Ų | 117.3 | 43% | 0.43 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -62.1 | -42.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E4 L11 M12 | E4-A8 WeakPolarHBondContact O-CB 3.4Å; E4-A8 PolarHBondContact O-N 2.65Å; A8-L11 PolarHBondContact O-N 2.92Å; A8-M12 VanDerWaalsContact O-CG 3.26Å; A8-M12 WeakPolarHBondContact O-CG 3.28Å; A8-M12 PolarHBondContact O-N 2.87Å |
| 9 | L | 73.5 | Confident | 64.1 | Low | 104 Ų | 104 | 114 Ų | 114 | 55% | 0.545 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -64.5 | -41.7 | 177.4 | -173.8 | 65.9 | 0 | 0 | 0 | 112 | A5 L6 M12 L13 | A5-L9 VanDerWaalsContact O-CB 3.3Å; A5-L9 WeakPolarHBondContact O-CB 3.41Å; A5-L9 PolarHBondContact O-N 2.84Å; L6-L9 PolarHBondContact O-N 3.21Å; L9-M12 PolarHBondContact O-N 2.92Å; L9-L13 HydrophobicContact CG-CD1 4.24Å; L9-L13 VanDerWaalsContact O-CG 3.31Å; L9-L13 WeakPolarHBondContact O-CG 3.07Å; L9-L13 PolarHBondContact O-N 3.37Å |
| 10 | L | 72.3 | Confident | 63.5 | Low | 105 Ų | 105 | 115.1 Ų | 115.1 | 55% | 0.55 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -64.5 | -41 | 176.4 | -73.4 | 169.2 | 0 | 0 | 0 | 111.9 | L6 L7 M12 L13 A14 | L6-L10 HydrophobicContact CG-CD1 4.33Å; L6-L10 VanDerWaalsContact O-CG 3.3Å; L6-L10 WeakPolarHBondContact O-CG 3.47Å; L6-L10 PolarHBondContact O-N 3.07Å; L7-L10 PolarHBondContact O-N 2.88Å; L10-M12 VanDerWaalsContact C-N 3.33Å; L10-L13 PolarHBondContact O-N 3.11Å; L10-A14 WeakPolarHBondContact O-CB 3.12Å; L10-A14 PolarHBondContact O-N 3.28Å |
| 11 | L | 71.9 | Confident | 62.7 | Low | 107 Ų | 107 | 117 Ų | 117 | 56% | 0.56 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -65.8 | -36.2 | 175.2 | -72.3 | 171.5 | 0 | 0 | 0 | 112.1 | L7 A8 A14 R15 | L7-L11 HydrophobicContact CD2-CD1 3.98Å; L7-L11 VanDerWaalsContact O-CG 3.31Å; L7-L11 WeakPolarHBondContact O-CG 3.07Å; L7-L11 PolarHBondContact O-N 2.88Å; A8-L11 PolarHBondContact O-N 2.92Å; L11-A14 PolarHBondContact O-N 3.19Å; L11-R15 VanDerWaalsContact O-CG 3.26Å; L11-R15 WeakPolarHBondContact O-CG 3.35Å; L11-R15 PolarHBondContact O-N 3.46Å |
| 12 | M | 72.4 | Confident | 62.2 | Low | 123 Ų | 123 | 114.5 Ų | 114.5 | 61% | 0.606 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -68.4 | -39.7 | 174.7 | -72.3 | -64 | -70.7 | 0 | 0 | 112.1 | A8 L9 L10 A14 R15 L16 | A8-M12 VanDerWaalsContact O-CG 3.26Å; A8-M12 WeakPolarHBondContact O-CG 3.28Å; A8-M12 PolarHBondContact O-N 2.87Å; L9-M12 PolarHBondContact O-N 2.92Å; L10-M12 VanDerWaalsContact C-N 3.33Å; M12-A14 VanDerWaalsContact C-N 3.35Å; M12-R15 PolarHBondContact O-N 3.17Å; M12-L16 WeakPolarHBondContact O-CG 3.39Å; M12-L16 PolarHBondContact O-N 3.35Å |
| 13 | L | 65.2 | Low | 61.7 | Low | 90 Ų | 90 | 112.7 Ų | 112.7 | 47% | 0.471 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -66.7 | -35.7 | 175 | -70.7 | 166.5 | 0 | 0 | 0 | 112.2 | L9 L10 R15 L16 L17 | L9-L13 HydrophobicContact CG-CD1 4.24Å; L9-L13 VanDerWaalsContact O-CG 3.31Å; L9-L13 WeakPolarHBondContact O-CG 3.07Å; L9-L13 PolarHBondContact O-N 3.37Å; L10-L13 PolarHBondContact O-N 3.11Å; L13-R15 PolarHBondContact O-N 3.27Å; L13-L16 HydrophobicContact CD2-CD1 4.34Å; L13-L16 PolarHBondContact O-N 2.76Å; L13-L16 VanDerWaalsContact O-N 3.13Å; L13-L17 PolarHBondContact O-N 2.86Å |
| 14 | A | 62.3 | Low | 61.3 | Low | 62 Ų | 62 | 114.3 Ų | 114.3 | 51% | 0.512 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -62.7 | -25.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L10 L11 M12 | L10-A14 WeakPolarHBondContact O-CB 3.12Å; L10-A14 PolarHBondContact O-N 3.28Å; L11-A14 PolarHBondContact O-N 3.19Å; M12-A14 VanDerWaalsContact C-N 3.35Å |
| 15 | R | 63.7 | Low | 61 | Low | 221 Ų | 221 | 116.8 Ų | 116.8 | 83% | 0.834 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -86.5 | -17.8 | 175.9 | -60.6 | -80.2 | -177.2 | -174.1 | -0.4 | 113.3 | L11 M12 L13 | L11-R15 VanDerWaalsContact O-CG 3.26Å; L11-R15 WeakPolarHBondContact O-CG 3.35Å; L11-R15 PolarHBondContact O-N 3.46Å; M12-R15 PolarHBondContact O-N 3.17Å; L13-R15 PolarHBondContact O-N 3.27Å |
| 16 | L | 59.6 | Low | 60.7 | Low | 134 Ų | 134 | 117.3 Ų | 117.3 | 70% | 0.702 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -91.2 | -16.5 | 177.9 | -73.2 | 162.8 | 0 | 0 | 0 | 112.7 | M12 L13 | M12-L16 WeakPolarHBondContact O-CG 3.39Å; M12-L16 PolarHBondContact O-N 3.35Å; L13-L16 HydrophobicContact CD2-CD1 4.34Å; L13-L16 PolarHBondContact O-N 2.76Å; L13-L16 VanDerWaalsContact O-N 3.13Å |
| 17 | L | 56.3 | Low | 60.7 | Low | 121 Ų | 121 | 115.8 Ų | 115.8 | 63% | 0.634 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -63.4 | 126.7 | 166.9 | -84.8 | 143.4 | 0 | 0 | 0 | 108.3 | L13 G19 | L13-L17 PolarHBondContact O-N 2.86Å; L17-G19 PolarHBondContact O-N 3.29Å; L17-G19 VanDerWaalsContact O-N 3.08Å |
| 18 | P | 56.1 | Low | 60.9 | Low | 110 Ų | 110 | 114.5 Ų | 114.5 | 71% | 0.714 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 123.5 | 168.8 | -20.6 | 30.4 | 0 | 0 | 0 | 107.4 | ||
| 19 | G | 56.5 | Low | 61 | Low | 54 Ų | 54 | 114.5 Ų | 114.5 | 56% | 0.557 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 159.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | L17 L21 | L17-G19 PolarHBondContact O-N 3.29Å; L17-G19 VanDerWaalsContact O-N 3.08Å; G19-L21 PolarHBondContact O-N 2.94Å |
| 20 | P | 52.1 | Low | 61.2 | Low | 135 Ų | 135 | 114.5 Ų | 114.5 | 88% | 0.877 | 63% | 0.628 | S | S | * | * | trans | -48.8 | 111.7 | 177.4 | 21 | -30.8 | 0 | 0 | 0 | 107.6 | D22 | P20-D22 PolarHBondContact O-N 2.93Š| ||
| 21 | L | 46.6 | Very low | 61.8 | Low | 156 Ų | 156 | 110 Ų | 110 | 82% | 0.817 | 61% | 0.605 | S | S | * | * | trans | -52.4 | 120.1 | 168.3 | -80.5 | 159.3 | 0 | 0 | 0 | 103.6 | G19 A23 | G19-L21 PolarHBondContact O-N 2.94Å; L21-A23 PolarHBondContact O-N 3.05Å | ||
| 22 | D | 40.5 | Very low | 62.3 | Low | 166 Ų | 166 | 106 Ų | 106 | 89% | 0.888 | 59% | 0.586 | S | S | * | * | trans | -57.4 | 93.8 | 173.8 | -144.3 | 4.2 | 0 | 0 | 0 | 104.9 | P20 Q24 | P20-D22 PolarHBondContact O-N 2.93Å; D22-Q24 PolarHBondContact O-N 3.06Å | ||
| 23 | A | 47.6 | Very low | 63 | Low | 88 Ų | 88 | 106 Ų | 106 | 73% | 0.727 | 59% | 0.585 | S | S | * | * | trans | -73.6 | 92.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 103.5 | L21 E25 | L21-A23 PolarHBondContact O-N 3.05Å; A23-E25 VanDerWaalsContact C-N 3.32Å; A23-E25 PolarHBondContact O-N 2.8Å | ||
| 24 | Q | 46.9 | Very low | 64.2 | Low | 178 Ų | 178 | 103.7 Ų | 103.7 | 83% | 0.832 | 58% | 0.583 | S | S | * | * | trans | -56.7 | 104.4 | 173.2 | -171.7 | 162.9 | 37.3 | 0 | 0 | 106.3 | D22 I26 | D22-Q24 PolarHBondContact O-N 3.06Å; Q24-I26 PolarHBondContact O-N 2.94Å | ||
| 25 | E | 55.6 | Low | 65.5 | Low | 187 Ų | 187 | 104.8 Ų | 104.8 | 87% | 0.874 | 58% | 0.578 | S | S | * | * | trans | -67.8 | 100.8 | -174.8 | -162.2 | 171.6 | -162.9 | 0 | 0 | 107.1 | A23 P27 | A23-E25 VanDerWaalsContact C-N 3.32Å; A23-E25 PolarHBondContact O-N 2.8Å; E25-P27 WeakPolarHBondContact O-CD 3.4Å | ||
| 26 | I | 62.2 | Low | 66.9 | Low | 72 Ų | 72 | 97.4 Ų | 97.4 | 37% | 0.369 | 56% | 0.56 | S | S | . | * | P | Polyproline II helix | trans | -68.5 | 123 | -179.7 | -77 | 158.1 | 0 | 0 | 0 | 107.8 | Q24 V28 M121 | Q24-I26 PolarHBondContact O-N 2.94Å; I26-V28 PolarHBondContact O-N 3.45Å; I26-M121 HydrophobicContact CB-CB 4.41Å; I26-M121 HydrophobicContact CB-CG 4.5Å; I26-M121 HydrophobicContact CD1-CB 4.34Å; I26-M121 HydrophobicContact CD1-CE 3.69Å; I26-M121 HydrophobicContact CD1-CG 4.43Å; I26-M121 HydrophobicContact CD1-SD 3.69Å; I26-M121 HydrophobicContact CG1-CB 4.1Å; I26-M121 HydrophobicContact CG1-CG 4.49Å; I26-M121 HydrophobicContact CG1-SD 4.36Å; I26-M121 HydrophobicContact CG2-CB 3.48Å; I26-M121 VanDerWaalsContact CG2-CB 3.48Å; I26-M121 HydrophobicContact CG2-CG 3.31Å; I26-M121 WeakPolarHBondContact CG2-O 3.26Å; I26-M121 HydrophobicContact CG2-SD 3.72Å |
| 27 | P | 68.1 | Low | 68.4 | Low | 75 Ų | 75 | 91.7 Ų | 91.7 | 49% | 0.487 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 121.6 | 179.6 | 24 | -30.2 | 0 | 0 | 0 | 110.8 | E25 | E25-P27 WeakPolarHBondContact O-CD 3.4Š|
| 28 | V | 73.3 | Confident | 70.1 | Confident | 65 Ų | 65 | 90.4 Ų | 90.4 | 39% | 0.394 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 126.9 | 177.8 | -178.1 | 0 | 0 | 0 | 0 | 109.2 | I26 M30 M123 | I26-V28 PolarHBondContact O-N 3.45Å; V28-M30 HydrophobicContact CG1-CG 4.33Å; V28-M30 HydrophobicContact CG1-SD 3.73Å; V28-M123 HydrophobicContact CB-CE 4.24Å; V28-M123 HydrophobicContact CG1-CB 4.24Å; V28-M123 HydrophobicContact CG1-CE 3.48Å; V28-M123 VanDerWaalsContact CG1-CE 3.48Å; V28-M123 HydrophobicContact CG2-CB 4.48Å; V28-M123 HydrophobicContact CG2-CE 3.68Å |
| 29 | L | 77.6 | Confident | 71.8 | Confident | 52 Ų | 52 | 85.3 Ų | 85.3 | 27% | 0.272 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 112.8 | 176 | -62.4 | -176.8 | 0 | 0 | 0 | 109.3 | V37 N38 I39 V122 M123 V124 T125 | L29-V37 HydrophobicContact CB-CG1 4.46Å; L29-V37 HydrophobicContact CD1-CB 4.37Å; L29-N38 WeakPolarHBondContact CD1-O 3.38Å; L29-I39 HydrophobicContact CD1-CG1 4.36Å; L29-V122 HydrophobicContact CB-CG1 4.01Å; L29-V122 HydrophobicContact CD1-CB 4.38Å; L29-V122 HydrophobicContact CD1-CG1 3.39Å; L29-V122 HydrophobicContact CD1-CG2 4.1Å; L29-V122 HydrophobicContact CG-CG1 3.75Å; L29-M123 CarbonylContact C-O 3.5Å; L29-M123 PolarHBondContact N-O 3.2Å; L29-V124 VanDerWaalsContact O-CA 3.29Å; L29-V124 WeakPolarHBondContact O-CA 3.09Å; L29-T125 PolarHBondContact O-N 2.97Å |
| 30 | M | 78.9 | Confident | 73.5 | Confident | 104 Ų | 104 | 86.4 Ų | 86.4 | 51% | 0.512 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 129.4 | -179 | -57.1 | -69.8 | -58 | 0 | 0 | 110 | V28 T125 E126 | V28-M30 HydrophobicContact CG1-CG 4.33Å; V28-M30 HydrophobicContact CG1-SD 3.73Å; M30-T125 WeakPolarHBondContact CE-OG1 3.17Å; M30-T125 WeakPolarHBondContact SD-CB 2.95Å; M30-T125 HydrophobicContact SD-CG2 4.27Å; M30-T125 PolarHBondContact SD-OG1 3.47Å; M30-E126 WeakPolarHBondContact CE-O 3.34Å |
| 31 | A | 84.3 | Confident | 75.3 | Confident | 9 Ų | 9 | 80 Ų | 80 | 7% | 0.074 | 45% | 0.445 | C | S | . | . | trans | -154.2 | 149.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E35 V37 L97 T125 | A31-E35 HydrophobicContact CB-CB 4.36Å; A31-V37 HydrophobicContact CB-CG1 3.44Å; A31-V37 VanDerWaalsContact CB-CG1 3.44Å; A31-L97 HydrophobicContact CB-CD1 3.48Å; A31-L97 VanDerWaalsContact CB-CD1 3.48Å; A31-T125 PolarHBondContact N-O 2.89Å | ||
| 32 | S | 82.8 | Confident | 77.2 | Confident | 23 Ų | 23 | 75.9 Ų | 75.9 | 16% | 0.161 | 43% | 0.43 | C | S | . | . | trans | -83.8 | 160.5 | 177 | -35.6 | 0 | 0 | 0 | 0 | 111.3 | G34 E35 K127 | S32-G34 PolarHBondContact O-N 2.79Å; S32-E35 VanDerWaalsContact CB-OE2 3.26Å; S32-E35 WeakPolarHBondContact CB-OE2 3.17Å; S32-E35 PolarHBondContact N-OE2 3.27Å; S32-E35 WeakPolarHBondContact O-CB 3.42Å; S32-E35 PolarHBondContact O-N 2.85Å; S32-E35 VanDerWaalsContact O-N 3.08Å; S32-E35 VanDerWaalsContact OG-CD 3.26Å; S32-E35 PolarHBondContact OG-OE2 2.85Å; S32-K127 WeakPolarHBondContact OG-CB 3.45Å; S32-K127 WeakPolarHBondContact OG-CD 3.35Å | ||
| 33 | E | 87.3 | Confident | 79.2 | Confident | 125 Ų | 125 | 69.1 Ų | 69.1 | 58% | 0.584 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 133.8 | 168.3 | -176.8 | 158.2 | -149.4 | 0 | 0 | 110.5 | E35 L97 K99 | E33-E35 VanDerWaalsContact C-N 3.3Å; E33-E35 PolarHBondContact O-N 3.4Å; E33-L97 CarbonylContact C-O 3.58Å; E33-L97 WeakPolarHBondContact CA-O 3.29Å; E33-L97 WeakPolarHBondContact CG-O 3.3Å; E33-K99 WeakPolarHBondContact OE2-CE 3.42Å |
| 34 | G | 89.2 | Confident | 80.7 | Confident | 41 Ų | 41 | 70.1 Ų | 70.1 | 42% | 0.423 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | -18.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | S32 L97 | S32-G34 PolarHBondContact O-N 2.79Å; G34-L97 PolarHBondContact N-O 2.99Å |
| 35 | E | 90.7 | Very high | 82.3 | Confident | 85 Ų | 85 | 63.9 Ų | 63.9 | 40% | 0.397 | 38% | 0.379 | S | S | . | . | trans | -75.4 | 180 | 177.6 | -67.5 | -177.1 | 152.3 | 0 | 0 | 111.8 | A31 S32 E33 L96 L97 | A31-E35 HydrophobicContact CB-CB 4.36Å; S32-E35 VanDerWaalsContact CB-OE2 3.26Å; S32-E35 WeakPolarHBondContact CB-OE2 3.17Å; S32-E35 PolarHBondContact N-OE2 3.27Å; S32-E35 WeakPolarHBondContact O-CB 3.42Å; S32-E35 PolarHBondContact O-N 2.85Å; S32-E35 VanDerWaalsContact O-N 3.08Å; S32-E35 VanDerWaalsContact OG-CD 3.26Å; S32-E35 PolarHBondContact OG-OE2 2.85Å; E33-E35 VanDerWaalsContact C-N 3.3Å; E33-E35 PolarHBondContact O-N 3.4Å; E35-L96 PolarHBondContact O-N 2.73Å; E35-L96 VanDerWaalsContact O-N 3.12Å; E35-L97 WeakPolarHBondContact O-CG 3.43Å; E35-L97 PolarHBondContact O-N 3.43Å | ||
| 36 | S | 92.7 | Very high | 83.6 | Confident | 66 Ų | 66 | 61.5 Ų | 61.5 | 46% | 0.462 | 37% | 0.373 | S | S | . | . | trans | -126.9 | 147 | 178.3 | -52.3 | 0 | 0 | 0 | 0 | 111.3 | M94 R95 | S36-M94 CarbonylContact C-O 3.5Å; S36-M94 WeakPolarHBondContact CA-O 3.41Å; S36-M94 WeakPolarHBondContact CB-O 3.44Å; S36-R95 WeakPolarHBondContact OG-CA 3.12Å | ||
| 37 | V | 91.1 | Very high | 84.8 | Confident | 13 Ų | 13 | 59.4 Ų | 59.4 | 8% | 0.079 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 149.1 | 175.1 | -68 | 0 | 0 | 0 | 0 | 110.7 | L29 A31 T93 M94 L97 | L29-V37 HydrophobicContact CB-CG1 4.46Å; L29-V37 HydrophobicContact CD1-CB 4.37Å; A31-V37 HydrophobicContact CB-CG1 3.44Å; A31-V37 VanDerWaalsContact CB-CG1 3.44Å; V37-T93 CarbonylContact O-C 3.01Å; V37-T93 WeakPolarHBondContact O-CA 3.36Å; V37-M94 HydrophobicContact CG2-CB 3.94Å; V37-M94 HydrophobicContact CG2-CG 4.49Å; V37-M94 PolarHBondContact N-O 2.78Å; V37-M94 PolarHBondContact O-N 2.98Å; V37-L97 HydrophobicContact CB-CD1 4.43Å; V37-L97 HydrophobicContact CG1-CD1 3.79Å; V37-L97 HydrophobicContact CG2-CD1 4.01Å; V37-L97 HydrophobicContact CG2-CD2 4.24Å |
| 38 | N | 93.2 | Very high | 85.9 | Confident | 95 Ų | 95 | 60 Ų | 60 | 51% | 0.508 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 123.8 | 178 | -67.2 | -17.3 | 0 | 0 | 0 | 109.8 | L29 T91 T93 | L29-N38 WeakPolarHBondContact CD1-O 3.38Å; N38-T91 HydrophobicContact CB-CG2 4.03Å; N38-T93 WeakPolarHBondContact OD1-CB 3.43Å; N38-T93 VanDerWaalsContact OD1-CG2 3.3Å; N38-T93 WeakPolarHBondContact OD1-CG2 3.38Å; N38-T93 PolarHBondContact OD1-OG1 2.96Å |
| 39 | I | 91.3 | Very high | 86.8 | Confident | 3 Ų | 3 | 56.9 Ų | 56.9 | 2% | 0.015 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 114.8 | 176.1 | -58.6 | -179.9 | 0 | 0 | 0 | 107.7 | L29 L52 T91 I92 M94 Y105 V122 | L29-I39 HydrophobicContact CD1-CG1 4.36Å; I39-L52 HydrophobicContact CD1-CD1 4.3Å; I39-L52 HydrophobicContact CD1-CD2 4.15Å; I39-L52 HydrophobicContact CG2-CD1 4.17Å; I39-T91 WeakPolarHBondContact O-CA 3.33Å; I39-I92 HydrophobicContact CB-CB 4.48Å; I39-I92 PolarHBondContact N-O 2.74Å; I39-I92 PolarHBondContact O-N 3.38Å; I39-M94 HydrophobicContact CD1-CG 4.39Å; I39-M94 HydrophobicContact CD1-SD 3.66Å; I39-Y105 HydrophobicContact CD1-CG 4.32Å; I39-V122 HydrophobicContact CD1-CB 4.38Å; I39-V122 HydrophobicContact CD1-CG1 4.14Å; I39-V122 HydrophobicContact CG1-CB 4.5Å; I39-V122 HydrophobicContact CG1-CG1 4.16Å; I39-V122 HydrophobicContact CG1-CG2 4.21Å; I39-V122 HydrophobicContact CG2-CG2 4.01Å |
| 40 | T | 91.1 | Very high | 87.5 | Confident | 77 Ų | 77 | 54.5 Ų | 54.5 | 47% | 0.472 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 127 | 177.8 | 50.5 | 0 | 0 | 0 | 0 | 110.6 | T91 | T40-T91 HydrophobicContact CG2-CG2 4.2Å |
| 41 | C | 89.6 | Confident | 88.2 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.007 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 103.5 | 174.8 | -53.2 | 0 | 0 | 0 | 0 | 108.3 | I50 L90 C107 | C41-I50 HydrophobicContact CB-CD1 4.44Å; C41-L90 HydrophobicContact CB-CB 4.3Å; C41-L90 PolarHBondContact N-O 3.4Å; C41-L90 PolarHBondContact O-N 3.45Å; C41-C107 HydrophobicContact CB-CB 3.64Å; C41-C107 WeakPolarHBondContact CB-SG 3.48Å; C41-C107 WeakPolarHBondContact SG-CB 3.1Å; C41-C107 CovalentContact SG-SG 2.03Å; C41-C107 PolarHBondContact SG-SG 3.19Å |
| 42 | S | 87.7 | Confident | 88.6 | Confident | 69 Ų | 69 | 51.9 Ų | 51.9 | 48% | 0.483 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 111.8 | 173.7 | -57 | 0 | 0 | 0 | 0 | 109.2 | L118 | S42-L118 WeakPolarHBondContact O-CD2 3.1Å |
| 43 | T | 82.8 | Confident | 89.1 | Confident | 23 Ų | 23 | 54.2 Ų | 54.2 | 14% | 0.141 | 32% | 0.317 | C | S | . | . | trans | -131.6 | 143.9 | -178.4 | -50.3 | 0 | 0 | 0 | 0 | 109.4 | L47 N88 A109 | T43-L47 HydrophobicContact CG2-CD1 3.52Å; T43-L47 HydrophobicContact CG2-CD2 3.78Å; T43-L47 HydrophobicContact CG2-CG 4.25Å; T43-N88 PolarHBondContact N-O 2.82Å; T43-N88 VanDerWaalsContact O-CA 3.29Å; T43-N88 WeakPolarHBondContact O-CA 3.29Å; T43-N88 WeakPolarHBondContact O-CB 2.88Å; T43-N88 VanDerWaalsContact O-O 3.06Å; T43-A109 HydrophobicContact CG2-CB 3.6Å | ||
| 44 | S | 79 | Confident | 89.4 | Confident | 110 Ų | 110 | 48.4 Ų | 48.4 | 77% | 0.769 | 29% | 0.29 | S | S | * | . | trans | -108.4 | 153.1 | 175 | 53.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 45 | G | 79.7 | Confident | 89.4 | Confident | 47 Ų | 47 | 49.6 Ų | 49.6 | 49% | 0.485 | 29% | 0.292 | S | S | . | . | S | Bend | trans | 107.3 | -176.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | L47 | G45-L47 PolarHBondContact O-N 2.95Š|
| 46 | D | 83.5 | Confident | 89.2 | Confident | 137 Ų | 137 | 52.5 Ų | 52.5 | 73% | 0.733 | 30% | 0.299 | S | S | * | . | trans | -83.4 | 92.2 | 179.1 | -73.9 | -10 | 0 | 0 | 0 | 110.3 | ||||
| 47 | L | 87.4 | Confident | 88.9 | Confident | 28 Ų | 28 | 53.2 Ų | 53.2 | 15% | 0.147 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 139.6 | -174.4 | -49.8 | -179.3 | 0 | 0 | 0 | 111.1 | T43 G45 I50 Q87 N88 A109 V110 T111 | T43-L47 HydrophobicContact CG2-CD1 3.52Å; T43-L47 HydrophobicContact CG2-CD2 3.78Å; T43-L47 HydrophobicContact CG2-CG 4.25Å; G45-L47 PolarHBondContact O-N 2.95Å; L47-I50 HydrophobicContact CD1-CD1 4.26Å; L47-I50 HydrophobicContact CD1-CG1 4.46Å; L47-Q87 HydrophobicContact CB-CG 4.24Å; L47-Q87 HydrophobicContact CD1-CG 4.13Å; L47-Q87 PolarHBondContact O-NE2 3.37Å; L47-N88 WeakPolarHBondContact CD1-OD1 3.48Å; L47-A109 HydrophobicContact CD2-CB 4.04Å; L47-V110 CarbonylContact C-O 3.51Å; L47-T111 HydrophobicContact CD2-CG2 3.82Å |
| 48 | Q | 90.5 | Very high | 88.8 | Confident | 87 Ų | 87 | 59.7 Ų | 59.7 | 41% | 0.407 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | -34.3 | 170.6 | -67.4 | -176.6 | 14.9 | 0 | 0 | 112.8 | Y64 E66 Q87 V110 K112 | Q48-Y64 PolarHBondContact O-OH 2.81Å; Q48-Y64 VanDerWaalsContact O-OH 3.11Å; Q48-E66 WeakPolarHBondContact O-CG 3.21Å; Q48-Q87 VanDerWaalsContact C-NE2 3.26Å; Q48-V110 HydrophobicContact CB-CB 4.41Å; Q48-V110 HydrophobicContact CB-CG1 4.16Å; Q48-V110 PolarHBondContact N-O 2.75Å; Q48-K112 HydrophobicContact CG-CG 4.27Å; Q48-K112 VanDerWaalsContact NE2-CG 3.33Å |
| 49 | G | 91.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.5 | 176 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y64 F65 Q87 V110 | G49-Y64 WeakPolarHBondContact CA-OH 3.4Å; G49-F65 CarbonylContact C-O 3.46Å; G49-F65 VanDerWaalsContact CA-O 3.24Å; G49-F65 WeakPolarHBondContact CA-O 3.36Å; G49-Q87 VanDerWaalsContact C-NE2 3.34Å; G49-Q87 VanDerWaalsContact CA-CD 3.5Å; G49-V110 PolarHBondContact O-N 2.88Å |
| 50 | I | 92.8 | Very high | 88.8 | Confident | 2 Ų | 2 | 60.6 Ų | 60.6 | 1% | 0.01 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 130 | 171.9 | -69.4 | -179.4 | 0 | 0 | 0 | 109.8 | C41 L47 Y64 F65 Q87 L90 C107 | C41-I50 HydrophobicContact CB-CD1 4.44Å; L47-I50 HydrophobicContact CD1-CD1 4.26Å; L47-I50 HydrophobicContact CD1-CG1 4.46Å; I50-Y64 WeakPolarHBondContact O-CA 3.25Å; I50-F65 PolarHBondContact N-O 2.88Å; I50-F65 PolarHBondContact O-N 3.37Å; I50-Q87 HydrophobicContact CB-CG 4.49Å; I50-Q87 HydrophobicContact CD1-CG 3.74Å; I50-Q87 WeakPolarHBondContact CD1-O 3.3Å; I50-Q87 HydrophobicContact CG1-CG 3.69Å; I50-L90 HydrophobicContact CB-CD2 4.37Å; I50-L90 HydrophobicContact CG2-CD2 4.31Å; I50-C107 HydrophobicContact CG2-CB 4.35Å |
| 51 | Y | 93.7 | Very high | 89 | Confident | 58 Ų | 58 | 62.8 Ų | 62.8 | 23% | 0.227 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 137.1 | 165.4 | -74.7 | -79.4 | 0 | 0 | 0 | 110.9 | K61 T63 Y64 C107 S108 V110 | Y51-K61 HydrophobicContact CD1-CB 4.42Å; Y51-K61 HydrophobicContact CD1-CD 3.99Å; Y51-K61 HydrophobicContact CD1-CG 4.22Å; Y51-K61 HydrophobicContact CE1-CD 3.71Å; Y51-K61 HydrophobicContact CE1-CG 4.44Å; Y51-T63 VanDerWaalsContact CA-O 3.3Å; Y51-T63 WeakPolarHBondContact CA-O 3.39Å; Y51-Y64 AromaticContact CD1-CD2 3.87Å; Y51-Y64 HydrophobicContact CD1-CD2 3.87Å; Y51-Y64 HydrophobicContact CD1-CG 4.37Å; Y51-Y64 AromaticContact CD2-CD2 3.85Å; Y51-Y64 HydrophobicContact CD2-CD2 3.85Å; Y51-Y64 HydrophobicContact CD2-CE2 4.3Å; Y51-Y64 AromaticContact CE1-CD2 3.58Å; Y51-Y64 HydrophobicContact CE1-CD2 3.58Å; Y51-Y64 AromaticContact CE1-CG 3.97Å; Y51-Y64 HydrophobicContact CE1-CG 3.97Å; Y51-Y64 AromaticContact CE2-CD2 3.54Å; Y51-Y64 HydrophobicContact CE2-CD2 3.54Å; Y51-Y64 AromaticContact CE2-CE2 3.83Å; Y51-Y64 HydrophobicContact CE2-CE2 3.83Å; Y51-Y64 HydrophobicContact CG-CD2 4.01Å; Y51-Y64 AromaticContact CZ-CD2 3.39Å; Y51-Y64 AromaticContact CZ-CE2 3.99Å; Y51-C107 CarbonylContact O-C 3.55Å; Y51-C107 WeakPolarHBondContact O-CA 3.33Å; Y51-S108 PolarHBondContact N-O 2.85Å; Y51-S108 PolarHBondContact O-N 2.87Å; Y51-V110 HydrophobicContact CD2-CG2 3.68Å; Y51-V110 HydrophobicContact CE2-CG2 3.66Å |
| 52 | L | 93.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 122.4 | 154 | -173.9 | 65 | 0 | 0 | 0 | 107.9 | I39 V62 T63 I92 Y105 | I39-L52 HydrophobicContact CD1-CD1 4.3Å; I39-L52 HydrophobicContact CD1-CD2 4.15Å; I39-L52 HydrophobicContact CG2-CD1 4.17Å; L52-V62 HydrophobicContact CB-CB 4.2Å; L52-V62 HydrophobicContact CD2-CB 4.16Å; L52-V62 HydrophobicContact CD2-CG1 3.9Å; L52-V62 HydrophobicContact CG-CB 4.14Å; L52-V62 HydrophobicContact CG-CG1 4.44Å; L52-V62 HydrophobicContact CG-CG2 4.5Å; L52-V62 WeakPolarHBondContact O-CB 3.37Å; L52-V62 PolarHBondContact O-N 3.34Å; L52-T63 HydrophobicContact CB-CG2 3.55Å; L52-T63 HydrophobicContact CD2-CG2 4.21Å; L52-T63 PolarHBondContact N-O 2.64Å; L52-T63 PolarHBondContact O-N 3.21Å; L52-I92 HydrophobicContact CB-CD1 3.88Å; L52-I92 HydrophobicContact CD1-CD1 4.41Å; L52-I92 HydrophobicContact CD2-CD1 4.1Å; L52-I92 HydrophobicContact CD2-CG2 4.12Å; L52-I92 HydrophobicContact CG-CD1 4.36Å; L52-Y105 HydrophobicContact CD2-CD1 4.36Å; L52-Y105 HydrophobicContact CG-CD1 4.35Å |
| 53 | K | 93.5 | Very high | 89.7 | Confident | 72 Ų | 72 | 59.7 Ų | 59.7 | 31% | 0.313 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 138.2 | 179.4 | -65.4 | 173.9 | 179.5 | 165.7 | 0 | 109.3 | S60 Y105 T106 S108 | K53-S60 CarbonylContact C-O 3.49Å; K53-S60 WeakPolarHBondContact CA-O 3.45Å; K53-Y105 CarbonylContact O-C 3.59Å; K53-Y105 VanDerWaalsContact O-CA 3.28Å; K53-Y105 WeakPolarHBondContact O-CA 3.31Å; K53-T106 PolarHBondContact N-O 3.08Å; K53-T106 PolarHBondContact O-N 3.08Å; K53-S108 PolarHBondContact NZ-OG 3.41Å |
| 54 | Q | 91.6 | Very high | 90.4 | Very high | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.009 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 130.5 | 163.8 | -174.2 | -177.4 | 30.4 | 0 | 0 | 107.6 | W56 A59 S60 V62 I102 I104 Y105 | Q54-W56 WeakPolarHBondContact CG-O 3.28Å; Q54-W56 PolarHBondContact NE2-O 2.9Å; Q54-W56 VanDerWaalsContact NE2-O 3.09Å; Q54-A59 CarbonylContact O-C 3.49Å; Q54-A59 WeakPolarHBondContact O-CA 3.45Å; Q54-S60 PolarHBondContact N-O 3.38Å; Q54-S60 PolarHBondContact O-N 2.85Å; Q54-S60 PolarHBondContact OE1-OG 3.21Å; Q54-V62 HydrophobicContact CB-CG2 3.99Å; Q54-I102 PolarHBondContact NE2-O 2.79Å; Q54-I104 CarbonylContact C-O 3.55Å; Q54-I104 VanDerWaalsContact CA-O 3.25Å; Q54-I104 WeakPolarHBondContact CA-O 2.86Å; Q54-Y105 HydrophobicContact CB-CD1 4.05Å; Q54-Y105 HydrophobicContact CB-CE1 3.88Å; Q54-Y105 HydrophobicContact CG-CD1 4.41Å; Q54-Y105 HydrophobicContact CG-CE1 4.05Å |
| 55 | S | 89.6 | Confident | 91.2 | Very high | 67 Ų | 67 | 56.6 Ų | 56.6 | 47% | 0.469 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | -20.6 | 177.5 | 60 | 0 | 0 | 0 | 0 | 113.5 | I104 | S55-I104 PolarHBondContact N-O 2.68Å; S55-I104 WeakPolarHBondContact OG-CB 3.26Å; S55-I104 WeakPolarHBondContact OG-CG2 3.24Å |
| 56 | W | 87.4 | Confident | 91.9 | Very high | 146 Ų | 146 | 56.5 Ų | 56.5 | 55% | 0.553 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141 | 143.5 | 177.3 | -174.1 | 91.8 | 0 | 0 | 0 | 110.2 | Q54 I102 G103 I104 | Q54-W56 WeakPolarHBondContact CG-O 3.28Å; Q54-W56 PolarHBondContact NE2-O 2.9Å; Q54-W56 VanDerWaalsContact NE2-O 3.09Å; W56-I102 HydrophobicContact CZ3-CG2 4Å; W56-G103 WeakPolarHBondContact O-CA 3.48Å; W56-I104 HydrophobicContact CB-CB 4.17Å; W56-I104 HydrophobicContact CB-CD1 4.03Å; W56-I104 HydrophobicContact CB-CG1 4.14Å; W56-I104 PolarHBondContact O-N 3.24Å |
| 57 | P | 85.9 | Confident | 92.4 | Very high | 80 Ų | 80 | 53.7 Ų | 53.7 | 52% | 0.519 | 27% | 0.274 | S | S | . | . | S | Bend | cis | -75.2 | -19.2 | 3 | 30.4 | -36 | 0 | 0 | 0 | 114.4 | I102 | P57-I102 WeakPolarHBondContact CD-O 3.36Š|
| 58 | Q | 88.3 | Confident | 92.7 | Very high | 149 Ų | 149 | 56.8 Ų | 56.8 | 70% | 0.696 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -134.9 | 137.3 | 174.9 | -172.7 | 176.1 | 19.1 | 0 | 0 | 110.2 | S60 | Q58-S60 PolarHBondContact O-N 3.19Š|
| 59 | A | 92.3 | Very high | 93 | Very high | 84 Ų | 84 | 58.5 Ų | 58.5 | 69% | 0.694 | 32% | 0.319 | S | S | * | . | trans | -63.8 | 120.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q54 | Q54-A59 CarbonylContact O-C 3.49Å; Q54-A59 WeakPolarHBondContact O-CA 3.45Å | ||
| 60 | S | 93.3 | Very high | 93.2 | Very high | 34 Ų | 34 | 67.1 Ų | 67.1 | 24% | 0.238 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 154.5 | 177.6 | 64 | 0 | 0 | 0 | 0 | 112 | K53 Q54 Q58 | K53-S60 CarbonylContact C-O 3.49Å; K53-S60 WeakPolarHBondContact CA-O 3.45Å; Q54-S60 PolarHBondContact N-O 3.38Å; Q54-S60 PolarHBondContact O-N 2.85Å; Q54-S60 PolarHBondContact OE1-OG 3.21Å; Q58-S60 PolarHBondContact O-N 3.19Å |
| 61 | K | 94.7 | Very high | 93.4 | Very high | 122 Ų | 122 | 69.1 Ų | 69.1 | 53% | 0.53 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 116.4 | 169.3 | -67.2 | 176.5 | 176.8 | -175.6 | 0 | 107.3 | Y51 | Y51-K61 HydrophobicContact CD1-CB 4.42Å; Y51-K61 HydrophobicContact CD1-CD 3.99Å; Y51-K61 HydrophobicContact CD1-CG 4.22Å; Y51-K61 HydrophobicContact CE1-CD 3.71Å; Y51-K61 HydrophobicContact CE1-CG 4.44Å |
| 62 | V | 95.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | -47.9 | -177.6 | 176.4 | 0 | 0 | 0 | 0 | 110.3 | L52 Q54 D74 F77 Y105 | L52-V62 HydrophobicContact CB-CB 4.2Å; L52-V62 HydrophobicContact CD2-CB 4.16Å; L52-V62 HydrophobicContact CD2-CG1 3.9Å; L52-V62 HydrophobicContact CG-CB 4.14Å; L52-V62 HydrophobicContact CG-CG1 4.44Å; L52-V62 HydrophobicContact CG-CG2 4.5Å; L52-V62 WeakPolarHBondContact O-CB 3.37Å; L52-V62 PolarHBondContact O-N 3.34Å; Q54-V62 HydrophobicContact CB-CG2 3.99Å; V62-D74 WeakPolarHBondContact O-CB 3.25Å; V62-D74 PolarHBondContact O-N 3.23Å; V62-F77 HydrophobicContact CB-CE2 4.16Å; V62-F77 HydrophobicContact CG1-CD2 3.69Å; V62-F77 HydrophobicContact CG1-CE2 3.59Å; V62-F77 HydrophobicContact CG1-CG 4.17Å; V62-F77 HydrophobicContact CG1-CZ 4.08Å; V62-F77 HydrophobicContact CG2-CE2 3.89Å; V62-F77 HydrophobicContact CG2-CZ 4.25Å; V62-Y105 HydrophobicContact CG2-CD1 3.96Å; V62-Y105 HydrophobicContact CG2-CE1 3.75Å |
| 63 | T | 97.1 | Very high | 93.7 | Very high | 5 Ų | 5 | 73 Ų | 73 | 3% | 0.031 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 156.6 | 177.6 | 170.8 | 0 | 0 | 0 | 0 | 111.8 | Y51 L52 T72 F83 I92 | Y51-T63 VanDerWaalsContact CA-O 3.3Å; Y51-T63 WeakPolarHBondContact CA-O 3.39Å; L52-T63 HydrophobicContact CB-CG2 3.55Å; L52-T63 HydrophobicContact CD2-CG2 4.21Å; L52-T63 PolarHBondContact N-O 2.64Å; L52-T63 PolarHBondContact O-N 3.21Å; T63-T72 CarbonylContact C-O 3.48Å; T63-T72 WeakPolarHBondContact CA-O 3.39Å; T63-T72 VanDerWaalsContact CB-O 3.28Å; T63-T72 WeakPolarHBondContact CB-O 3.5Å; T63-T72 PolarHBondContact OG1-O 2.77Å; T63-F83 HydrophobicContact CG2-CE1 3.84Å; T63-F83 HydrophobicContact CG2-CZ 3.93Å; T63-F83 WeakPolarHBondContact OG1-CE1 3.12Å; T63-F83 WeakPolarHBondContact OG1-CZ 3.09Å; T63-I92 HydrophobicContact CG2-CD1 4.2Å; T63-I92 HydrophobicContact CG2-CG2 4.46Å |
| 64 | Y | 96.7 | Very high | 93.9 | Very high | 46 Ų | 46 | 72.7 Ų | 72.7 | 18% | 0.18 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 129.8 | 163.2 | 178.9 | -101.5 | 0 | 0 | 0 | 110 | Q48 G49 I50 Y51 E66 P71 T72 V110 | Q48-Y64 PolarHBondContact O-OH 2.81Å; Q48-Y64 VanDerWaalsContact O-OH 3.11Å; G49-Y64 WeakPolarHBondContact CA-OH 3.4Å; I50-Y64 WeakPolarHBondContact O-CA 3.25Å; Y51-Y64 AromaticContact CD1-CD2 3.87Å; Y51-Y64 HydrophobicContact CD1-CD2 3.87Å; Y51-Y64 HydrophobicContact CD1-CG 4.37Å; Y51-Y64 AromaticContact CD2-CD2 3.85Å; Y51-Y64 HydrophobicContact CD2-CD2 3.85Å; Y51-Y64 HydrophobicContact CD2-CE2 4.3Å; Y51-Y64 AromaticContact CE1-CD2 3.58Å; Y51-Y64 HydrophobicContact CE1-CD2 3.58Å; Y51-Y64 AromaticContact CE1-CG 3.97Å; Y51-Y64 HydrophobicContact CE1-CG 3.97Å; Y51-Y64 AromaticContact CE2-CD2 3.54Å; Y51-Y64 HydrophobicContact CE2-CD2 3.54Å; Y51-Y64 AromaticContact CE2-CE2 3.83Å; Y51-Y64 HydrophobicContact CE2-CE2 3.83Å; Y51-Y64 HydrophobicContact CG-CD2 4.01Å; Y51-Y64 AromaticContact CZ-CD2 3.39Å; Y51-Y64 AromaticContact CZ-CE2 3.99Å; Y64-E66 HydrophobicContact CE1-CB 3.87Å; Y64-E66 PolarHBondContact OH-OE2 2.94Å; Y64-P71 WeakPolarHBondContact O-CA 3.44Å; Y64-T72 PolarHBondContact N-O 2.64Å; Y64-T72 PolarHBondContact O-N 3.15Å; Y64-V110 HydrophobicContact CE2-CG2 4.34Å |
| 65 | F | 96.3 | Very high | 94.1 | Very high | 22 Ų | 22 | 81.8 Ų | 81.8 | 10% | 0.096 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 136.8 | 178 | 179.4 | -87.6 | 0 | 0 | 0 | 110.6 | G49 I50 D67 P71 F83 Q87 L90 | G49-F65 CarbonylContact C-O 3.46Å; G49-F65 VanDerWaalsContact CA-O 3.24Å; G49-F65 WeakPolarHBondContact CA-O 3.36Å; I50-F65 PolarHBondContact N-O 2.88Å; I50-F65 PolarHBondContact O-N 3.37Å; F65-D67 VanDerWaalsContact CE1-OD1 3.28Å; F65-D67 WeakPolarHBondContact CE1-OD1 3.2Å; F65-P71 HydrophobicContact CD2-CB 4.3Å; F65-F83 HydrophobicContact CB-CD1 4.29Å; F65-F83 HydrophobicContact CB-CE1 4.27Å; F65-F83 HydrophobicContact CD2-CB 3.98Å; F65-F83 AromaticContact CD2-CD1 3.6Å; F65-F83 HydrophobicContact CD2-CD1 3.6Å; F65-F83 HydrophobicContact CD2-CE1 4.27Å; F65-F83 AromaticContact CD2-CG 3.76Å; F65-F83 HydrophobicContact CD2-CG 3.76Å; F65-F83 HydrophobicContact CE2-CB 3.85Å; F65-F83 HydrophobicContact CE2-CD1 4.33Å; F65-F83 HydrophobicContact CE2-CG 4.15Å; F65-F83 HydrophobicContact CG-CD1 4.22Å; F65-Q87 HydrophobicContact CD1-CG 4.46Å; F65-Q87 HydrophobicContact CE1-CB 4.34Å; F65-L90 HydrophobicContact CB-CD2 3.75Å; F65-L90 HydrophobicContact CD1-CD1 3.8Å; F65-L90 HydrophobicContact CD1-CD2 3.68Å; F65-L90 HydrophobicContact CD1-CG 4.33Å; F65-L90 HydrophobicContact CD2-CD1 4Å; F65-L90 HydrophobicContact CD2-CD2 4.44Å; F65-L90 HydrophobicContact CE1-CD1 3.74Å; F65-L90 HydrophobicContact CE1-CD2 4.42Å; F65-L90 HydrophobicContact CE2-CD1 3.94Å; F65-L90 HydrophobicContact CG-CD1 3.93Å; F65-L90 HydrophobicContact CG-CD2 3.69Å; F65-L90 HydrophobicContact CG-CG 4.49Å; F65-L90 HydrophobicContact CZ-CD1 3.81Å |
| 66 | E | 95.4 | Very high | 94.4 | Very high | 45 Ų | 45 | 82.4 Ų | 82.4 | 21% | 0.21 | 44% | 0.435 | C | S | . | . | trans | -142.4 | 134.8 | 173.1 | 176.6 | 172.5 | 170.6 | 0 | 0 | 109.1 | Q48 Y64 G68 K69 | Q48-E66 WeakPolarHBondContact O-CG 3.21Å; Y64-E66 HydrophobicContact CE1-CB 3.87Å; Y64-E66 PolarHBondContact OH-OE2 2.94Å; E66-G68 PolarHBondContact O-N 3.08Å; E66-K69 HydrophobicContact CB-CB 4.36Å; E66-K69 HydrophobicContact CB-CD 4.42Å; E66-K69 VanDerWaalsContact CD-CD 3.5Å; E66-K69 VanDerWaalsContact CD-CE 3.46Å; E66-K69 HydrophobicContact CG-CD 4.05Å; E66-K69 HydrophobicContact CG-CG 4.32Å; E66-K69 PolarHBondContact O-N 2.66Å; E66-K69 VanDerWaalsContact O-N 3.17Å; E66-K69 WeakPolarHBondContact OE1-CE 3.31Å; E66-K69 IonicContact OE1-NZ 2.65Å; E66-K69 PolarHBondContact OE1-NZ 3.06Å; E66-K69 WeakPolarHBondContact OE2-CD 3.33Å; E66-K69 IonicContact OE2-NZ 2.91Å; E66-K69 PolarHBondContact OE2-NZ 3.12Å | ||
| 67 | D | 93.5 | Very high | 94.7 | Very high | 78 Ų | 78 | 75.5 Ų | 75.5 | 42% | 0.417 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | 131.4 | -178.5 | -75.7 | -29.7 | 0 | 0 | 0 | 111.3 | F65 K69 S86 Q87 | F65-D67 VanDerWaalsContact CE1-OD1 3.28Å; F65-D67 WeakPolarHBondContact CE1-OD1 3.2Å; D67-K69 VanDerWaalsContact C-N 3.26Å; D67-K69 PolarHBondContact O-N 3.28Å; D67-S86 WeakPolarHBondContact OD1-CA 3.4Å; D67-Q87 PolarHBondContact OD1-N 3.44Å; D67-Q87 VanDerWaalsContact OD1-N 3.08Å; D67-Q87 WeakPolarHBondContact OD2-CB 3.45Å; D67-Q87 PolarHBondContact OD2-N 2.78Å |
| 68 | G | 94.1 | Very high | 95.2 | Very high | 94 Ų | 94 | 76 Ų | 76 | 97% | 0.969 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.6 | 5.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | E66 | E66-G68 PolarHBondContact O-N 3.08Š|
| 69 | K | 95.9 | Very high | 95.5 | Very high | 123 Ų | 123 | 71.8 Ų | 71.8 | 54% | 0.535 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -119.3 | 158 | 175.3 | -63.6 | -170.3 | -171.7 | 162.7 | 0 | 111.9 | E66 D67 | E66-K69 HydrophobicContact CB-CB 4.36Å; E66-K69 HydrophobicContact CB-CD 4.42Å; E66-K69 VanDerWaalsContact CD-CD 3.5Å; E66-K69 VanDerWaalsContact CD-CE 3.46Å; E66-K69 HydrophobicContact CG-CD 4.05Å; E66-K69 HydrophobicContact CG-CG 4.32Å; E66-K69 PolarHBondContact O-N 2.66Å; E66-K69 VanDerWaalsContact O-N 3.17Å; E66-K69 WeakPolarHBondContact OE1-CE 3.31Å; E66-K69 IonicContact OE1-NZ 2.65Å; E66-K69 PolarHBondContact OE1-NZ 3.06Å; E66-K69 WeakPolarHBondContact OE2-CD 3.33Å; E66-K69 IonicContact OE2-NZ 2.91Å; E66-K69 PolarHBondContact OE2-NZ 3.12Å; D67-K69 VanDerWaalsContact C-N 3.26Å; D67-K69 PolarHBondContact O-N 3.28Å |
| 70 | E | 96.1 | Very high | 95.8 | Very high | 181 Ų | 181 | 68.2 Ų | 68.2 | 85% | 0.846 | 38% | 0.38 | S | S | * | . | P | Polyproline II helix | trans | -68.6 | 127.1 | 173.3 | -169.4 | 172.8 | -174.2 | 0 | 0 | 110.1 | ||
| 71 | P | 96.4 | Very high | 96 | Very high | 44 Ų | 44 | 67.3 Ų | 67.3 | 29% | 0.286 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -72.3 | 147.4 | -179 | 29.1 | -34 | 0 | 0 | 0 | 111.2 | Y64 F65 F83 | Y64-P71 WeakPolarHBondContact O-CA 3.44Å; F65-P71 HydrophobicContact CD2-CB 4.3Å; P71-F83 HydrophobicContact CB-CD2 4.02Å; P71-F83 HydrophobicContact CB-CE2 3.62Å; P71-F83 HydrophobicContact CB-CZ 3.93Å; P71-F83 HydrophobicContact CG-CD2 3.68Å; P71-F83 HydrophobicContact CG-CE2 3.55Å; P71-F83 HydrophobicContact CG-CZ 4.37Å |
| 72 | T | 97.5 | Very high | 96.1 | Very high | 93 Ų | 93 | 64.1 Ų | 64.1 | 57% | 0.571 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 127.4 | 174 | -56 | 0 | 0 | 0 | 0 | 109.5 | T63 Y64 | T63-T72 CarbonylContact C-O 3.48Å; T63-T72 WeakPolarHBondContact CA-O 3.39Å; T63-T72 VanDerWaalsContact CB-O 3.28Å; T63-T72 WeakPolarHBondContact CB-O 3.5Å; T63-T72 PolarHBondContact OG1-O 2.77Å; Y64-T72 PolarHBondContact N-O 2.64Å; Y64-T72 PolarHBondContact O-N 3.15Å |
| 73 | V | 97.8 | Very high | 96.2 | Very high | 46 Ų | 46 | 66.5 Ų | 66.5 | 28% | 0.279 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 133.8 | 178.1 | -179.3 | 0 | 0 | 0 | 0 | 110 | F77 I81 F83 | V73-F77 HydrophobicContact CG1-CB 3.92Å; V73-I81 HydrophobicContact CG1-CB 4.19Å; V73-I81 HydrophobicContact CG1-CG1 3.71Å; V73-I81 HydrophobicContact CG2-CB 4.26Å; V73-F83 HydrophobicContact CG2-CE2 4.04Å; V73-F83 HydrophobicContact CG2-CZ 4.07Å |
| 74 | D | 96.9 | Very high | 96.2 | Very high | 66 Ų | 66 | 69.2 Ų | 69.2 | 35% | 0.353 | 39% | 0.39 | S | S | . | . | trans | -60.3 | 142.2 | 174.2 | -179.8 | -84.9 | 0 | 0 | 0 | 111.1 | V62 R76 F77 S78 | V62-D74 WeakPolarHBondContact O-CB 3.25Å; V62-D74 PolarHBondContact O-N 3.23Å; D74-R76 PolarHBondContact O-N 2.87Å; D74-R76 WeakPolarHBondContact OD1-CB 3.11Å; D74-R76 PolarHBondContact OD1-N 2.87Å; D74-F77 HydrophobicContact CB-CD2 4.23Å; D74-F77 PolarHBondContact O-N 3.09Å; D74-S78 PolarHBondContact O-N 3.25Å | ||
| 75 | K | 96.3 | Very high | 96.1 | Very high | 193 Ų | 193 | 70 Ų | 70 | 84% | 0.839 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -54.8 | -32.9 | -175.2 | -68.1 | -176.7 | 179.9 | -179.5 | 0 | 112.8 | F77 S78 | K75-F77 PolarHBondContact O-N 2.58Å; K75-S78 WeakPolarHBondContact O-CB 3.07Å; K75-S78 PolarHBondContact O-N 3.28Å |
| 76 | R | 94.5 | Very high | 95.9 | Very high | 80 Ų | 80 | 71.5 Ų | 71.5 | 30% | 0.302 | 43% | 0.426 | S | S | . | . | G | 310 helix | trans | -60.7 | -27.3 | 177.4 | -172.8 | 178 | 64.6 | -174.9 | -3.7 | 112.7 | D74 R80 | D74-R76 PolarHBondContact O-N 2.87Å; D74-R76 WeakPolarHBondContact OD1-CB 3.11Å; D74-R76 PolarHBondContact OD1-N 2.87Å; R76-R80 PolarHBondContact O-NH2 2.94Å |
| 77 | F | 95.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 42% | 0.418 | C | S | . | . | G | 310 helix | trans | -111.1 | 12.1 | -179.1 | -55.1 | -86.3 | 0 | 0 | 0 | 113.7 | V62 V73 D74 K75 G79 R80 I81 M94 D101 Y105 | V62-F77 HydrophobicContact CB-CE2 4.16Å; V62-F77 HydrophobicContact CG1-CD2 3.69Å; V62-F77 HydrophobicContact CG1-CE2 3.59Å; V62-F77 HydrophobicContact CG1-CG 4.17Å; V62-F77 HydrophobicContact CG1-CZ 4.08Å; V62-F77 HydrophobicContact CG2-CE2 3.89Å; V62-F77 HydrophobicContact CG2-CZ 4.25Å; V73-F77 HydrophobicContact CG1-CB 3.92Å; D74-F77 HydrophobicContact CB-CD2 4.23Å; D74-F77 PolarHBondContact O-N 3.09Å; K75-F77 PolarHBondContact O-N 2.58Å; F77-G79 PolarHBondContact O-N 2.83Å; F77-R80 WeakPolarHBondContact O-CB 3.28Å; F77-R80 PolarHBondContact O-N 2.88Å; F77-I81 HydrophobicContact CB-CD1 3.91Å; F77-I81 HydrophobicContact CB-CG1 3.65Å; F77-I81 HydrophobicContact CD1-CD1 4.24Å; F77-I81 HydrophobicContact CG-CD1 4.28Å; F77-I81 HydrophobicContact CG-CG1 4.48Å; F77-M94 HydrophobicContact CD1-CE 3.79Å; F77-M94 HydrophobicContact CE1-CE 3.3Å; F77-M94 HydrophobicContact CZ-CE 4.05Å; F77-D101 HydrophobicContact CE1-CB 4.24Å; F77-D101 WeakPolarHBondContact CE1-OD1 3.05Å; F77-Y105 HydrophobicContact CZ-CE1 4.24Å |
| 78 | S | 94.9 | Very high | 95.5 | Very high | 91 Ų | 91 | 69.7 Ų | 69.7 | 64% | 0.636 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | 131.1 | 179.7 | -171.7 | 0 | 0 | 0 | 0 | 111.7 | D74 K75 R80 | D74-S78 PolarHBondContact O-N 3.25Å; K75-S78 WeakPolarHBondContact O-CB 3.07Å; K75-S78 PolarHBondContact O-N 3.28Å; S78-R80 PolarHBondContact O-N 2.82Å |
| 79 | G | 96.1 | Very high | 95.4 | Very high | 60 Ų | 60 | 69.7 Ų | 69.7 | 62% | 0.619 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73 | -3.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | F77 R95 | F77-G79 PolarHBondContact O-N 2.83Å; G79-R95 PolarHBondContact O-NH2 2.81Å |
| 80 | R | 97.2 | Very high | 95.3 | Very high | 9 Ų | 9 | 63.9 Ų | 63.9 | 3% | 0.034 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -111.5 | 1.7 | -173.8 | -59.3 | -167.5 | -58.1 | 126.2 | -2.9 | 114.1 | R76 F77 S78 R95 L96 D101 | R76-R80 PolarHBondContact O-NH2 2.94Å; F77-R80 WeakPolarHBondContact O-CB 3.28Å; F77-R80 PolarHBondContact O-N 2.88Å; S78-R80 PolarHBondContact O-N 2.82Å; R80-R95 WeakPolarHBondContact CB-O 3.48Å; R80-R95 PolarHBondContact O-N 3.09Å; R80-L96 HydrophobicContact CG-CB 4.48Å; R80-L96 PolarHBondContact NH1-O 3.12Å; R80-D101 IonicContact CZ-OD1 3.85Å; R80-D101 IonicContact CZ-OD2 3.43Å; R80-D101 IonicContact NH1-OD1 2.64Å; R80-D101 IonicContact NH1-OD2 2.9Å; R80-D101 PolarHBondContact NH1-OD2 2.82Å; R80-D101 IonicContact NH2-OD1 2.94Å; R80-D101 PolarHBondContact NH2-OD1 2.85Å; R80-D101 IonicContact NH2-OD2 3.29Å; R80-D101 PolarHBondContact NH2-OD2 2.78Å |
| 81 | I | 97.6 | Very high | 95.2 | Very high | 15 Ų | 15 | 56.7 Ų | 56.7 | 8% | 0.077 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 128.8 | 177.7 | -53.5 | -62.4 | 0 | 0 | 0 | 109.6 | V73 F77 F83 I92 T93 M94 | V73-I81 HydrophobicContact CG1-CB 4.19Å; V73-I81 HydrophobicContact CG1-CG1 3.71Å; V73-I81 HydrophobicContact CG2-CB 4.26Å; F77-I81 HydrophobicContact CB-CD1 3.91Å; F77-I81 HydrophobicContact CB-CG1 3.65Å; F77-I81 HydrophobicContact CD1-CD1 4.24Å; F77-I81 HydrophobicContact CG-CD1 4.28Å; F77-I81 HydrophobicContact CG-CG1 4.48Å; I81-F83 HydrophobicContact CB-CE2 4.42Å; I81-F83 HydrophobicContact CB-CZ 4.39Å; I81-F83 HydrophobicContact CG2-CD2 4.41Å; I81-F83 HydrophobicContact CG2-CE1 3.93Å; I81-F83 HydrophobicContact CG2-CE2 3.64Å; I81-F83 HydrophobicContact CG2-CZ 3.33Å; I81-I92 HydrophobicContact CG2-CG2 3.62Å; I81-T93 WeakPolarHBondContact CA-O 3.05Å; I81-M94 HydrophobicContact CD1-CB 4.21Å; I81-M94 HydrophobicContact CD1-CE 4.45Å; I81-M94 HydrophobicContact CD1-CG 3.7Å |
| 82 | D | 97.6 | Very high | 95.2 | Very high | 56 Ų | 56 | 54.6 Ų | 54.6 | 30% | 0.299 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 155.8 | 166.4 | -54.5 | -44.2 | 0 | 0 | 0 | 110.6 | I92 T93 R95 | D82-I92 WeakPolarHBondContact O-CA 3.33Å; D82-T93 PolarHBondContact N-O 2.03Å; D82-T93 PolarHBondContact O-N 2.97Å; D82-R95 IonicContact OD1-CZ 2.66Å; D82-R95 IonicContact OD1-NE 3.15Å; D82-R95 IonicContact OD1-NH1 3.8Å; D82-R95 PolarHBondContact OD1-NH1 2.99Å; D82-R95 IonicContact OD1-NH2 2.8Å; D82-R95 PolarHBondContact OD1-NH2 2.97Å; D82-R95 WeakPolarHBondContact OD2-CD 3.46Å; D82-R95 IonicContact OD2-CZ 3.06Å; D82-R95 IonicContact OD2-NE 3.01Å; D82-R95 PolarHBondContact OD2-NE 3.33Å; D82-R95 VanDerWaalsContact OD2-NE 3.15Å; D82-R95 IonicContact OD2-NH1 3.78Å; D82-R95 PolarHBondContact OD2-NH1 2.95Å; D82-R95 IonicContact OD2-NH2 3.58Å |
| 83 | F | 97.1 | Very high | 95.1 | Very high | 49 Ų | 49 | 51.4 Ų | 51.4 | 22% | 0.215 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 140.7 | 178.8 | -57 | -87.5 | 0 | 0 | 0 | 110 | T63 F65 P71 V73 I81 L90 I92 | T63-F83 HydrophobicContact CG2-CE1 3.84Å; T63-F83 HydrophobicContact CG2-CZ 3.93Å; T63-F83 WeakPolarHBondContact OG1-CE1 3.12Å; T63-F83 WeakPolarHBondContact OG1-CZ 3.09Å; F65-F83 HydrophobicContact CB-CD1 4.29Å; F65-F83 HydrophobicContact CB-CE1 4.27Å; F65-F83 HydrophobicContact CD2-CB 3.98Å; F65-F83 AromaticContact CD2-CD1 3.6Å; F65-F83 HydrophobicContact CD2-CD1 3.6Å; F65-F83 HydrophobicContact CD2-CE1 4.27Å; F65-F83 AromaticContact CD2-CG 3.76Å; F65-F83 HydrophobicContact CD2-CG 3.76Å; F65-F83 HydrophobicContact CE2-CB 3.85Å; F65-F83 HydrophobicContact CE2-CD1 4.33Å; F65-F83 HydrophobicContact CE2-CG 4.15Å; F65-F83 HydrophobicContact CG-CD1 4.22Å; P71-F83 HydrophobicContact CB-CD2 4.02Å; P71-F83 HydrophobicContact CB-CE2 3.62Å; P71-F83 HydrophobicContact CB-CZ 3.93Å; P71-F83 HydrophobicContact CG-CD2 3.68Å; P71-F83 HydrophobicContact CG-CE2 3.55Å; P71-F83 HydrophobicContact CG-CZ 4.37Å; V73-F83 HydrophobicContact CG2-CE2 4.04Å; V73-F83 HydrophobicContact CG2-CZ 4.07Å; I81-F83 HydrophobicContact CB-CE2 4.42Å; I81-F83 HydrophobicContact CB-CZ 4.39Å; I81-F83 HydrophobicContact CG2-CD2 4.41Å; I81-F83 HydrophobicContact CG2-CE1 3.93Å; I81-F83 HydrophobicContact CG2-CE2 3.64Å; I81-F83 HydrophobicContact CG2-CZ 3.33Å; F83-L90 HydrophobicContact CB-CD1 4.35Å; F83-L90 HydrophobicContact CD1-CD1 4.27Å; F83-I92 HydrophobicContact CD1-CG1 4.07Å; F83-I92 HydrophobicContact CD1-CG2 4.44Å; F83-I92 HydrophobicContact CE1-CD1 4.39Å; F83-I92 HydrophobicContact CE1-CG1 4.12Å; F83-I92 HydrophobicContact CE1-CG2 4.07Å |
| 84 | S | 96.9 | Very high | 95 | Very high | 62 Ų | 62 | 49.3 Ų | 49.3 | 43% | 0.434 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 151.3 | 171.3 | 61.5 | 0 | 0 | 0 | 0 | 111.2 | T91 | S84-T91 PolarHBondContact N-O 2.93Å; S84-T91 PolarHBondContact O-N 3.02Å; S84-T91 WeakPolarHBondContact OG-CB 3.07Å |
| 85 | G | 94.4 | Very high | 95 | Very high | 63 Ų | 63 | 50.3 Ų | 50.3 | 65% | 0.649 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 89.7 | -162.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 86 | S | 92.8 | Very high | 94.9 | Very high | 54 Ų | 54 | 46.1 Ų | 46.1 | 38% | 0.378 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 171.6 | 176.6 | 65 | 0 | 0 | 0 | 0 | 110.2 | D67 N88 N89 L90 | D67-S86 WeakPolarHBondContact OD1-CA 3.4Å; S86-N88 PolarHBondContact O-N 2.96Å; S86-N88 VanDerWaalsContact O-N 3.11Å; S86-N89 CarbonylContact O-C 3.5Å; S86-N89 PolarHBondContact O-N 3.11Å; S86-L90 VanDerWaalsContact O-CA 3.29Å; S86-L90 WeakPolarHBondContact O-CA 3.36Å; S86-L90 WeakPolarHBondContact O-CB 3.29Å; S86-L90 PolarHBondContact O-N 3.08Å |
| 87 | Q | 91.1 | Very high | 94.8 | Very high | 7 Ų | 7 | 42.6 Ų | 42.6 | 3% | 0.033 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -31.4 | -178.1 | -157.9 | 169.7 | -50.7 | 0 | 0 | 114 | L47 Q48 G49 I50 F65 D67 N89 | L47-Q87 HydrophobicContact CB-CG 4.24Å; L47-Q87 HydrophobicContact CD1-CG 4.13Å; L47-Q87 PolarHBondContact O-NE2 3.37Å; Q48-Q87 VanDerWaalsContact C-NE2 3.26Å; G49-Q87 VanDerWaalsContact C-NE2 3.34Å; G49-Q87 VanDerWaalsContact CA-CD 3.5Å; I50-Q87 HydrophobicContact CB-CG 4.49Å; I50-Q87 HydrophobicContact CD1-CG 3.74Å; I50-Q87 WeakPolarHBondContact CD1-O 3.3Å; I50-Q87 HydrophobicContact CG1-CG 3.69Å; F65-Q87 HydrophobicContact CD1-CG 4.46Å; F65-Q87 HydrophobicContact CE1-CB 4.34Å; D67-Q87 PolarHBondContact OD1-N 3.44Å; D67-Q87 VanDerWaalsContact OD1-N 3.08Å; D67-Q87 WeakPolarHBondContact OD2-CB 3.45Å; D67-Q87 PolarHBondContact OD2-N 2.78Å; Q87-N89 VanDerWaalsContact C-N 3.32Å; Q87-N89 PolarHBondContact O-N 3.47Å |
| 88 | N | 89.1 | Confident | 94.7 | Very high | 78 Ų | 78 | 48.9 Ų | 48.9 | 42% | 0.417 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -21.4 | 178.1 | -68.4 | -13.9 | 0 | 0 | 0 | 113.5 | T43 L47 S86 | T43-N88 PolarHBondContact N-O 2.82Å; T43-N88 VanDerWaalsContact O-CA 3.29Å; T43-N88 WeakPolarHBondContact O-CA 3.29Å; T43-N88 WeakPolarHBondContact O-CB 2.88Å; T43-N88 VanDerWaalsContact O-O 3.06Å; L47-N88 WeakPolarHBondContact CD1-OD1 3.48Å; S86-N88 PolarHBondContact O-N 2.96Å; S86-N88 VanDerWaalsContact O-N 3.11Å |
| 89 | N | 92 | Very high | 94.3 | Very high | 94 Ų | 94 | 51 Ų | 51 | 50% | 0.503 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 68.3 | 178.7 | -168.5 | 11.9 | 0 | 0 | 0 | 109.5 | S86 Q87 | S86-N89 CarbonylContact O-C 3.5Å; S86-N89 PolarHBondContact O-N 3.11Å; Q87-N89 VanDerWaalsContact C-N 3.32Å; Q87-N89 PolarHBondContact O-N 3.47Å |
| 90 | L | 93.2 | Very high | 94 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 130.2 | -172.9 | 179.3 | 65.8 | 0 | 0 | 0 | 109.5 | C41 I50 F65 F83 S86 I92 | C41-L90 HydrophobicContact CB-CB 4.3Å; C41-L90 PolarHBondContact N-O 3.4Å; C41-L90 PolarHBondContact O-N 3.45Å; I50-L90 HydrophobicContact CB-CD2 4.37Å; I50-L90 HydrophobicContact CG2-CD2 4.31Å; F65-L90 HydrophobicContact CB-CD2 3.75Å; F65-L90 HydrophobicContact CD1-CD1 3.8Å; F65-L90 HydrophobicContact CD1-CD2 3.68Å; F65-L90 HydrophobicContact CD1-CG 4.33Å; F65-L90 HydrophobicContact CD2-CD1 4Å; F65-L90 HydrophobicContact CD2-CD2 4.44Å; F65-L90 HydrophobicContact CE1-CD1 3.74Å; F65-L90 HydrophobicContact CE1-CD2 4.42Å; F65-L90 HydrophobicContact CE2-CD1 3.94Å; F65-L90 HydrophobicContact CG-CD1 3.93Å; F65-L90 HydrophobicContact CG-CD2 3.69Å; F65-L90 HydrophobicContact CG-CG 4.49Å; F65-L90 HydrophobicContact CZ-CD1 3.81Å; F83-L90 HydrophobicContact CB-CD1 4.35Å; F83-L90 HydrophobicContact CD1-CD1 4.27Å; S86-L90 VanDerWaalsContact O-CA 3.29Å; S86-L90 WeakPolarHBondContact O-CA 3.36Å; S86-L90 WeakPolarHBondContact O-CB 3.29Å; S86-L90 PolarHBondContact O-N 3.08Å; L90-I92 HydrophobicContact CD2-CD1 3.97Å; L90-I92 HydrophobicContact CD2-CG1 3.87Å; L90-I92 HydrophobicContact CG-CG1 3.93Å |
| 91 | T | 95 | Very high | 93.7 | Very high | 30 Ų | 30 | 52 Ų | 52 | 18% | 0.184 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 120.2 | 168.6 | -57 | 0 | 0 | 0 | 0 | 109.3 | N38 I39 T40 S84 | N38-T91 HydrophobicContact CB-CG2 4.03Å; I39-T91 WeakPolarHBondContact O-CA 3.33Å; T40-T91 HydrophobicContact CG2-CG2 4.2Å; S84-T91 PolarHBondContact N-O 2.93Å; S84-T91 PolarHBondContact O-N 3.02Å; S84-T91 WeakPolarHBondContact OG-CB 3.07Å |
| 92 | I | 95.8 | Very high | 93.2 | Very high | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 115.8 | 177.6 | -52.7 | 175.5 | 0 | 0 | 0 | 107.8 | I39 L52 T63 I81 D82 F83 L90 | I39-I92 HydrophobicContact CB-CB 4.48Å; I39-I92 PolarHBondContact N-O 2.74Å; I39-I92 PolarHBondContact O-N 3.38Å; L52-I92 HydrophobicContact CB-CD1 3.88Å; L52-I92 HydrophobicContact CD1-CD1 4.41Å; L52-I92 HydrophobicContact CD2-CD1 4.1Å; L52-I92 HydrophobicContact CD2-CG2 4.12Å; L52-I92 HydrophobicContact CG-CD1 4.36Å; T63-I92 HydrophobicContact CG2-CD1 4.2Å; T63-I92 HydrophobicContact CG2-CG2 4.46Å; I81-I92 HydrophobicContact CG2-CG2 3.62Å; D82-I92 WeakPolarHBondContact O-CA 3.33Å; F83-I92 HydrophobicContact CD1-CG1 4.07Å; F83-I92 HydrophobicContact CD1-CG2 4.44Å; F83-I92 HydrophobicContact CE1-CD1 4.39Å; F83-I92 HydrophobicContact CE1-CG1 4.12Å; F83-I92 HydrophobicContact CE1-CG2 4.07Å; L90-I92 HydrophobicContact CD2-CD1 3.97Å; L90-I92 HydrophobicContact CD2-CG1 3.87Å; L90-I92 HydrophobicContact CG-CG1 3.93Å |
| 93 | T | 96.2 | Very high | 92.8 | Very high | 26 Ų | 26 | 51.8 Ų | 51.8 | 16% | 0.16 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 118 | 177.7 | -61.5 | 0 | 0 | 0 | 0 | 109.7 | V37 N38 I81 D82 R95 | V37-T93 CarbonylContact O-C 3.01Å; V37-T93 WeakPolarHBondContact O-CA 3.36Å; N38-T93 WeakPolarHBondContact OD1-CB 3.43Å; N38-T93 VanDerWaalsContact OD1-CG2 3.3Å; N38-T93 WeakPolarHBondContact OD1-CG2 3.38Å; N38-T93 PolarHBondContact OD1-OG1 2.96Å; I81-T93 WeakPolarHBondContact CA-O 3.05Å; D82-T93 PolarHBondContact N-O 2.03Å; D82-T93 PolarHBondContact O-N 2.97Å; T93-R95 HydrophobicContact CG2-CG 3.96Å |
| 94 | M | 95.5 | Very high | 92.4 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 115.3 | 172.1 | -58.3 | -177.7 | 65 | 0 | 0 | 108.9 | S36 V37 I39 F77 I81 L97 Y105 | S36-M94 CarbonylContact C-O 3.5Å; S36-M94 WeakPolarHBondContact CA-O 3.41Å; S36-M94 WeakPolarHBondContact CB-O 3.44Å; V37-M94 HydrophobicContact CG2-CB 3.94Å; V37-M94 HydrophobicContact CG2-CG 4.49Å; V37-M94 PolarHBondContact N-O 2.78Å; V37-M94 PolarHBondContact O-N 2.98Å; I39-M94 HydrophobicContact CD1-CG 4.39Å; I39-M94 HydrophobicContact CD1-SD 3.66Å; F77-M94 HydrophobicContact CD1-CE 3.79Å; F77-M94 HydrophobicContact CE1-CE 3.3Å; F77-M94 HydrophobicContact CZ-CE 4.05Å; I81-M94 HydrophobicContact CD1-CB 4.21Å; I81-M94 HydrophobicContact CD1-CE 4.45Å; I81-M94 HydrophobicContact CD1-CG 3.7Å; M94-L97 HydrophobicContact CB-CD2 4.05Å; M94-L97 HydrophobicContact CE-CD2 4.44Å; M94-Y105 HydrophobicContact CE-CE1 3.97Å; M94-Y105 HydrophobicContact SD-CE1 4.28Å |
| 95 | R | 96.1 | Very high | 92.1 | Very high | 88 Ų | 88 | 48.4 Ų | 48.4 | 33% | 0.332 | 26% | 0.259 | S | S | . | . | trans | -102 | 162 | -178.1 | -57.3 | -173.9 | -65.2 | -150.8 | -5.4 | 112.5 | S36 G79 R80 D82 T93 L97 | S36-R95 WeakPolarHBondContact OG-CA 3.12Å; G79-R95 PolarHBondContact O-NH2 2.81Å; R80-R95 WeakPolarHBondContact CB-O 3.48Å; R80-R95 PolarHBondContact O-N 3.09Å; D82-R95 IonicContact OD1-CZ 2.66Å; D82-R95 IonicContact OD1-NE 3.15Å; D82-R95 IonicContact OD1-NH1 3.8Å; D82-R95 PolarHBondContact OD1-NH1 2.99Å; D82-R95 IonicContact OD1-NH2 2.8Å; D82-R95 PolarHBondContact OD1-NH2 2.97Å; D82-R95 WeakPolarHBondContact OD2-CD 3.46Å; D82-R95 IonicContact OD2-CZ 3.06Å; D82-R95 IonicContact OD2-NE 3.01Å; D82-R95 PolarHBondContact OD2-NE 3.33Å; D82-R95 VanDerWaalsContact OD2-NE 3.15Å; D82-R95 IonicContact OD2-NH1 3.78Å; D82-R95 PolarHBondContact OD2-NH1 2.95Å; D82-R95 IonicContact OD2-NH2 3.58Å; T93-R95 HydrophobicContact CG2-CG 3.96Å; R95-L97 VanDerWaalsContact C-N 3.26Å; R95-L97 PolarHBondContact O-N 2.94Å | ||
| 96 | L | 95.5 | Very high | 91.8 | Very high | 104 Ų | 104 | 46.5 Ų | 46.5 | 55% | 0.545 | 24% | 0.235 | S | C | . | . | S | Bend | trans | 49.3 | 52.5 | 172.9 | -58.4 | 174.1 | 0 | 0 | 0 | 110.5 | E35 R80 | E35-L96 PolarHBondContact O-N 2.73Å; E35-L96 VanDerWaalsContact O-N 3.12Å; R80-L96 HydrophobicContact CG-CB 4.48Å; R80-L96 PolarHBondContact NH1-O 3.12Å |
| 97 | L | 92.5 | Very high | 91.7 | Very high | 6 Ų | 6 | 44 Ų | 44 | 3% | 0.031 | 22% | 0.218 | C | C | . | . | trans | -57.3 | 143.9 | -176.5 | -71.9 | 171.9 | 0 | 0 | 0 | 111 | A31 E33 G34 E35 V37 M94 R95 D101 V124 | A31-L97 HydrophobicContact CB-CD1 3.48Å; A31-L97 VanDerWaalsContact CB-CD1 3.48Å; E33-L97 CarbonylContact C-O 3.58Å; E33-L97 WeakPolarHBondContact CA-O 3.29Å; E33-L97 WeakPolarHBondContact CG-O 3.3Å; G34-L97 PolarHBondContact N-O 2.99Å; E35-L97 WeakPolarHBondContact O-CG 3.43Å; E35-L97 PolarHBondContact O-N 3.43Å; V37-L97 HydrophobicContact CB-CD1 4.43Å; V37-L97 HydrophobicContact CG1-CD1 3.79Å; V37-L97 HydrophobicContact CG2-CD1 4.01Å; V37-L97 HydrophobicContact CG2-CD2 4.24Å; M94-L97 HydrophobicContact CB-CD2 4.05Å; M94-L97 HydrophobicContact CE-CD2 4.44Å; R95-L97 VanDerWaalsContact C-N 3.26Å; R95-L97 PolarHBondContact O-N 2.94Å; L97-D101 HydrophobicContact CD2-CB 4.3Å; L97-V124 HydrophobicContact CD1-CG1 4.31Å | ||
| 98 | R | 92.1 | Very high | 91.6 | Very high | 132 Ų | 132 | 44.3 Ų | 44.3 | 50% | 0.498 | 22% | 0.22 | S | C | . | . | trans | -121.8 | 159 | 178.5 | -58.5 | 174.9 | -178.4 | 177.1 | -1.2 | 109 | T100 D101 | R98-T100 PolarHBondContact O-N 3.13Å; R98-T100 VanDerWaalsContact O-N 3.08Å; R98-D101 WeakPolarHBondContact CB-OD2 3.44Å; R98-D101 PolarHBondContact N-OD2 2.77Å; R98-D101 WeakPolarHBondContact O-CB 3.43Å; R98-D101 PolarHBondContact O-N 3.22Å | ||
| 99 | K | 87.3 | Confident | 91.6 | Very high | 135 Ų | 135 | 40.7 Ų | 40.7 | 59% | 0.587 | 20% | 0.201 | S | C | * | . | G | 310 helix | trans | -56 | -29.3 | 174.6 | -63.4 | -171.2 | 179.9 | -169.6 | 0 | 113.4 | E33 D101 I102 | E33-K99 WeakPolarHBondContact OE2-CE 3.42Å; K99-D101 PolarHBondContact O-N 2.91Å; K99-I102 WeakPolarHBondContact O-CD1 3.39Å; K99-I102 VanDerWaalsContact O-CG1 3.25Å; K99-I102 WeakPolarHBondContact O-CG1 3.48Å; K99-I102 PolarHBondContact O-N 2.99Å |
| 100 | T | 89.3 | Confident | 91.4 | Very high | 90 Ų | 90 | 37.6 Ų | 37.6 | 55% | 0.552 | 19% | 0.186 | S | C | * | . | G | 310 helix | trans | -73.5 | -12.5 | 176.7 | 55.8 | 0 | 0 | 0 | 0 | 114.2 | R98 I102 | R98-T100 PolarHBondContact O-N 3.13Å; R98-T100 VanDerWaalsContact O-N 3.08Å; T100-I102 VanDerWaalsContact C-N 3.32Å |
| 101 | D | 90.1 | Very high | 91 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -89.5 | -0.7 | 178.8 | -52.8 | -37.9 | 0 | 0 | 0 | 112 | F77 R80 L97 R98 K99 G103 Y105 | F77-D101 HydrophobicContact CE1-CB 4.24Å; F77-D101 WeakPolarHBondContact CE1-OD1 3.05Å; R80-D101 IonicContact CZ-OD1 3.85Å; R80-D101 IonicContact CZ-OD2 3.43Å; R80-D101 IonicContact NH1-OD1 2.64Å; R80-D101 IonicContact NH1-OD2 2.9Å; R80-D101 PolarHBondContact NH1-OD2 2.82Å; R80-D101 IonicContact NH2-OD1 2.94Å; R80-D101 PolarHBondContact NH2-OD1 2.85Å; R80-D101 IonicContact NH2-OD2 3.29Å; R80-D101 PolarHBondContact NH2-OD2 2.78Å; L97-D101 HydrophobicContact CD2-CB 4.3Å; R98-D101 WeakPolarHBondContact CB-OD2 3.44Å; R98-D101 PolarHBondContact N-OD2 2.77Å; R98-D101 WeakPolarHBondContact O-CB 3.43Å; R98-D101 PolarHBondContact O-N 3.22Å; K99-D101 PolarHBondContact O-N 2.91Å; D101-G103 PolarHBondContact O-N 2.84Å; D101-Y105 VanDerWaalsContact O-CE2 3.31Å; D101-Y105 WeakPolarHBondContact O-CE2 3.18Å; D101-Y105 PolarHBondContact O-OH 3.04Å |
| 102 | I | 88 | Confident | 89.9 | Confident | 64 Ų | 64 | 45.8 Ų | 45.8 | 33% | 0.328 | 22% | 0.223 | S | C | . | . | trans | -58.9 | 128.1 | 171.6 | -64.7 | 173.2 | 0 | 0 | 0 | 108.2 | Q54 W56 P57 K99 T100 V124 | Q54-I102 PolarHBondContact NE2-O 2.79Å; W56-I102 HydrophobicContact CZ3-CG2 4Å; P57-I102 WeakPolarHBondContact CD-O 3.36Å; K99-I102 WeakPolarHBondContact O-CD1 3.39Å; K99-I102 VanDerWaalsContact O-CG1 3.25Å; K99-I102 WeakPolarHBondContact O-CG1 3.48Å; K99-I102 PolarHBondContact O-N 2.99Å; T100-I102 VanDerWaalsContact C-N 3.32Å; I102-V124 WeakPolarHBondContact CG2-O 3.44Å | ||
| 103 | G | 88.8 | Confident | 88.4 | Confident | 2 Ų | 2 | 53 Ų | 53 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -179.4 | 171.6 | -173 | 0 | 0 | 0 | 0 | 0 | 115 | W56 D101 V122 V124 | W56-G103 WeakPolarHBondContact O-CA 3.48Å; D101-G103 PolarHBondContact O-N 2.84Å; G103-V122 VanDerWaalsContact O-O 3.1Å; G103-V124 PolarHBondContact O-N 3.36Å |
| 104 | I | 87.9 | Confident | 86.5 | Confident | 41 Ų | 41 | 60.6 Ų | 60.6 | 21% | 0.21 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 115.3 | 169.1 | -68.5 | 178.1 | 0 | 0 | 0 | 107.2 | Q54 S55 W56 M121 V122 | Q54-I104 CarbonylContact C-O 3.55Å; Q54-I104 VanDerWaalsContact CA-O 3.25Å; Q54-I104 WeakPolarHBondContact CA-O 2.86Å; S55-I104 PolarHBondContact N-O 2.68Å; S55-I104 WeakPolarHBondContact OG-CB 3.26Å; S55-I104 WeakPolarHBondContact OG-CG2 3.24Å; W56-I104 HydrophobicContact CB-CB 4.17Å; W56-I104 HydrophobicContact CB-CD1 4.03Å; W56-I104 HydrophobicContact CB-CG1 4.14Å; W56-I104 PolarHBondContact O-N 3.24Å; I104-M121 HydrophobicContact CD1-CE 4.47Å; I104-M121 HydrophobicContact CD1-SD 3.98Å; I104-M121 HydrophobicContact CG1-SD 4.1Å; I104-M121 HydrophobicContact CG2-CE 3.9Å; I104-M121 HydrophobicContact CG2-CG 3.74Å; I104-M121 HydrophobicContact CG2-SD 3.73Å; I104-V122 WeakPolarHBondContact CA-O 3.22Å |
| 105 | Y | 90.6 | Very high | 84.7 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 141.2 | -178.5 | -63.5 | -92.1 | 0 | 0 | 0 | 112.2 | I39 L52 K53 Q54 V62 F77 M94 D101 M121 V122 V124 | I39-Y105 HydrophobicContact CD1-CG 4.32Å; L52-Y105 HydrophobicContact CD2-CD1 4.36Å; L52-Y105 HydrophobicContact CG-CD1 4.35Å; K53-Y105 CarbonylContact O-C 3.59Å; K53-Y105 VanDerWaalsContact O-CA 3.28Å; K53-Y105 WeakPolarHBondContact O-CA 3.31Å; Q54-Y105 HydrophobicContact CB-CD1 4.05Å; Q54-Y105 HydrophobicContact CB-CE1 3.88Å; Q54-Y105 HydrophobicContact CG-CD1 4.41Å; Q54-Y105 HydrophobicContact CG-CE1 4.05Å; V62-Y105 HydrophobicContact CG2-CD1 3.96Å; V62-Y105 HydrophobicContact CG2-CE1 3.75Å; F77-Y105 HydrophobicContact CZ-CE1 4.24Å; M94-Y105 HydrophobicContact CE-CE1 3.97Å; M94-Y105 HydrophobicContact SD-CE1 4.28Å; D101-Y105 VanDerWaalsContact O-CE2 3.31Å; D101-Y105 WeakPolarHBondContact O-CE2 3.18Å; D101-Y105 PolarHBondContact O-OH 3.04Å; Y105-M121 WeakPolarHBondContact O-CA 3.31Å; Y105-V122 PolarHBondContact N-O 3.27Å; Y105-V122 PolarHBondContact O-N 2.94Å; Y105-V124 HydrophobicContact CD2-CG2 4.32Å; Y105-V124 HydrophobicContact CE2-CG2 4.1Å |
| 106 | T | 89 | Confident | 82.6 | Confident | 23 Ų | 23 | 66 Ų | 66 | 14% | 0.141 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 129.4 | -175.3 | -60.4 | 0 | 0 | 0 | 0 | 113.4 | K53 S119 T120 | K53-T106 PolarHBondContact N-O 3.08Å; K53-T106 PolarHBondContact O-N 3.08Å; T106-S119 VanDerWaalsContact CG2-CA 3.46Å; T106-T120 WeakPolarHBondContact CA-O 3.49Å; T106-T120 WeakPolarHBondContact CB-O 3.45Å; T106-T120 WeakPolarHBondContact CG2-O 3.44Å; T106-T120 PolarHBondContact OG1-O 3.36Å |
| 107 | C | 91 | Very high | 80.6 | Confident | 2 Ų | 2 | 62.4 Ų | 62.4 | 1% | 0.014 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 135.1 | 170 | -48 | 0 | 0 | 0 | 0 | 109.4 | C41 I50 Y51 | C41-C107 HydrophobicContact CB-CB 3.64Å; C41-C107 WeakPolarHBondContact CB-SG 3.48Å; C41-C107 WeakPolarHBondContact SG-CB 3.1Å; C41-C107 CovalentContact SG-SG 2.03Å; C41-C107 PolarHBondContact SG-SG 3.19Å; I50-C107 HydrophobicContact CG2-CB 4.35Å; Y51-C107 CarbonylContact O-C 3.55Å; Y51-C107 WeakPolarHBondContact O-CA 3.33Å |
| 108 | S | 89.4 | Confident | 78.9 | Confident | 12 Ų | 12 | 67.4 Ų | 67.4 | 8% | 0.084 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 107.9 | -179.8 | 177.6 | 0 | 0 | 0 | 0 | 108.4 | Y51 K53 | Y51-S108 PolarHBondContact N-O 2.85Å; Y51-S108 PolarHBondContact O-N 2.87Å; K53-S108 PolarHBondContact NZ-OG 3.41Å |
| 109 | A | 89 | Confident | 76.9 | Confident | 2 Ų | 2 | 65.4 Ų | 65.4 | 2% | 0.017 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 142 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | T43 L47 | T43-A109 HydrophobicContact CG2-CB 3.6Å; L47-A109 HydrophobicContact CD2-CB 4.04Å |
| 110 | V | 87.3 | Confident | 75.4 | Confident | 30 Ų | 30 | 60.8 Ų | 60.8 | 18% | 0.182 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 118.1 | 173.4 | -175.1 | 0 | 0 | 0 | 0 | 107.4 | L47 Q48 G49 Y51 Y64 | L47-V110 CarbonylContact C-O 3.51Å; Q48-V110 HydrophobicContact CB-CB 4.41Å; Q48-V110 HydrophobicContact CB-CG1 4.16Å; Q48-V110 PolarHBondContact N-O 2.75Å; G49-V110 PolarHBondContact O-N 2.88Å; Y51-V110 HydrophobicContact CD2-CG2 3.68Å; Y51-V110 HydrophobicContact CE2-CG2 3.66Å; Y64-V110 HydrophobicContact CE2-CG2 4.34Å |
| 111 | T | 83.8 | Confident | 73.7 | Confident | 44 Ų | 44 | 59.3 Ų | 59.3 | 27% | 0.27 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 165.5 | 174.8 | 79.1 | 0 | 0 | 0 | 0 | 110.5 | L47 N113 R114 | L47-T111 HydrophobicContact CD2-CG2 3.82Å; T111-N113 PolarHBondContact O-N 2.86Å; T111-N113 PolarHBondContact OG1-N 3.5Å; T111-R114 PolarHBondContact N-O 3.47Å; T111-R114 PolarHBondContact OG1-N 2.69Å; T111-R114 PolarHBondContact OG1-O 2.71Å |
| 112 | K | 71.9 | Confident | 72 | Confident | 158 Ų | 158 | 59.5 Ų | 59.5 | 69% | 0.687 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -57.6 | -27.5 | 177.3 | -74.8 | 175.2 | 179.6 | 173 | 0 | 114.3 | Q48 | Q48-K112 HydrophobicContact CG-CG 4.27Å; Q48-K112 VanDerWaalsContact NE2-CG 3.33Å |
| 113 | N | 64.8 | Low | 70.5 | Confident | 151 Ų | 151 | 60.1 Ų | 60.1 | 81% | 0.807 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -116.9 | -4.9 | -171.1 | -75.7 | -9.3 | 0 | 0 | 0 | 116 | T111 | T111-N113 PolarHBondContact O-N 2.86Å; T111-N113 PolarHBondContact OG1-N 3.5Å |
| 114 | R | 56.3 | Low | 69.1 | Low | 187 Ų | 187 | 60.3 Ų | 60.3 | 71% | 0.706 | 32% | 0.324 | S | S | * | . | trans | 176.4 | 161.3 | 166.9 | -107.4 | 165 | -160.4 | -104 | 1.7 | 110.6 | T111 D116 | T111-R114 PolarHBondContact N-O 3.47Å; T111-R114 PolarHBondContact OG1-N 2.69Å; T111-R114 PolarHBondContact OG1-O 2.71Å; R114-D116 VanDerWaalsContact C-N 3.3Å; R114-D116 PolarHBondContact O-N 2.96Å | ||
| 115 | S | 57.2 | Low | 67.6 | Low | 81 Ų | 81 | 60.4 Ų | 60.4 | 57% | 0.566 | 33% | 0.326 | S | S | * | . | trans | -85.7 | 67 | 169.1 | 61.5 | 0 | 0 | 0 | 0 | 110.7 | G117 | S115-G117 PolarHBondContact O-N 3.18Š| ||
| 116 | D | 53.3 | Low | 65.8 | Low | 122 Ų | 122 | 66.9 Ų | 66.9 | 65% | 0.652 | 36% | 0.357 | S | S | * | . | trans | -87.1 | 101.5 | 171.5 | -74.3 | -11.3 | 0 | 0 | 0 | 107.8 | R114 | R114-D116 VanDerWaalsContact C-N 3.3Å; R114-D116 PolarHBondContact O-N 2.96Å | ||
| 117 | G | 52.8 | Low | 63.9 | Low | 27 Ų | 27 | 71.4 Ų | 71.4 | 28% | 0.278 | 37% | 0.374 | S | S | . | . | trans | -97.2 | 120.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | S115 S119 | S115-G117 PolarHBondContact O-N 3.18Å; G117-S119 PolarHBondContact O-N 3.47Å; G117-S119 VanDerWaalsContact O-N 3.09Å; G117-S119 PolarHBondContact O-OG 3.13Å | ||
| 118 | L | 56.6 | Low | 61.7 | Low | 111 Ų | 111 | 75.2 Ų | 75.2 | 58% | 0.581 | 41% | 0.406 | S | S | * | . | trans | -60.2 | 110.6 | 160.6 | -179 | 69.1 | 0 | 0 | 0 | 108.1 | S42 T120 | S42-L118 WeakPolarHBondContact O-CD2 3.1Å; L118-T120 PolarHBondContact O-N 3.28Å | ||
| 119 | S | 51.4 | Low | 59.4 | Low | 90 Ų | 90 | 79.1 Ų | 79.1 | 63% | 0.629 | 43% | 0.433 | S | S | * | . | trans | -89.9 | 96 | -174.1 | -65 | 0 | 0 | 0 | 0 | 110.6 | T106 G117 | T106-S119 VanDerWaalsContact CG2-CA 3.46Å; G117-S119 PolarHBondContact O-N 3.47Å; G117-S119 VanDerWaalsContact O-N 3.09Å; G117-S119 PolarHBondContact O-OG 3.13Å | ||
| 120 | T | 55 | Low | 57.2 | Low | 38 Ų | 38 | 88.1 Ų | 88.1 | 23% | 0.233 | 48% | 0.475 | C | S | . | . | trans | -76.4 | 134.5 | 162.6 | -52.2 | 0 | 0 | 0 | 0 | 108 | T106 L118 V122 | T106-T120 WeakPolarHBondContact CA-O 3.49Å; T106-T120 WeakPolarHBondContact CB-O 3.45Å; T106-T120 WeakPolarHBondContact CG2-O 3.44Å; T106-T120 PolarHBondContact OG1-O 3.36Å; L118-T120 PolarHBondContact O-N 3.28Å; T120-V122 HydrophobicContact CG2-CG2 4.38Å | ||
| 121 | M | 53.9 | Low | 54.9 | Low | 59 Ų | 59 | 94.5 Ų | 94.5 | 29% | 0.291 | 50% | 0.503 | S | S | . | . | trans | -103.8 | 126.1 | 169.7 | 171.9 | 169.9 | -33.7 | 0 | 0 | 108.9 | I26 I104 Y105 | I26-M121 HydrophobicContact CB-CB 4.41Å; I26-M121 HydrophobicContact CB-CG 4.5Å; I26-M121 HydrophobicContact CD1-CB 4.34Å; I26-M121 HydrophobicContact CD1-CE 3.69Å; I26-M121 HydrophobicContact CD1-CG 4.43Å; I26-M121 HydrophobicContact CD1-SD 3.69Å; I26-M121 HydrophobicContact CG1-CB 4.1Å; I26-M121 HydrophobicContact CG1-CG 4.49Å; I26-M121 HydrophobicContact CG1-SD 4.36Å; I26-M121 HydrophobicContact CG2-CB 3.48Å; I26-M121 VanDerWaalsContact CG2-CB 3.48Å; I26-M121 HydrophobicContact CG2-CG 3.31Å; I26-M121 WeakPolarHBondContact CG2-O 3.26Å; I26-M121 HydrophobicContact CG2-SD 3.72Å; I104-M121 HydrophobicContact CD1-CE 4.47Å; I104-M121 HydrophobicContact CD1-SD 3.98Å; I104-M121 HydrophobicContact CG1-SD 4.1Å; I104-M121 HydrophobicContact CG2-CE 3.9Å; I104-M121 HydrophobicContact CG2-CG 3.74Å; I104-M121 HydrophobicContact CG2-SD 3.73Å; Y105-M121 WeakPolarHBondContact O-CA 3.31Å | ||
| 122 | V | 54.7 | Low | 52.8 | Low | 6 Ų | 6 | 98.7 Ų | 98.7 | 4% | 0.036 | 53% | 0.528 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 119 | 170.9 | 168.9 | 0 | 0 | 0 | 0 | 108.1 | L29 I39 G103 I104 Y105 T120 V124 | L29-V122 HydrophobicContact CB-CG1 4.01Å; L29-V122 HydrophobicContact CD1-CB 4.38Å; L29-V122 HydrophobicContact CD1-CG1 3.39Å; L29-V122 HydrophobicContact CD1-CG2 4.1Å; L29-V122 HydrophobicContact CG-CG1 3.75Å; I39-V122 HydrophobicContact CD1-CB 4.38Å; I39-V122 HydrophobicContact CD1-CG1 4.14Å; I39-V122 HydrophobicContact CG1-CB 4.5Å; I39-V122 HydrophobicContact CG1-CG1 4.16Å; I39-V122 HydrophobicContact CG1-CG2 4.21Å; I39-V122 HydrophobicContact CG2-CG2 4.01Å; G103-V122 VanDerWaalsContact O-O 3.1Å; I104-V122 WeakPolarHBondContact CA-O 3.22Å; Y105-V122 PolarHBondContact N-O 3.27Å; Y105-V122 PolarHBondContact O-N 2.94Å; T120-V122 HydrophobicContact CG2-CG2 4.38Å; V122-V124 HydrophobicContact CG1-CG2 4.31Å |
| 123 | M | 57 | Low | 51.1 | Low | 76 Ų | 76 | 96.8 Ų | 96.8 | 37% | 0.374 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 116.5 | 174 | -172.4 | 178 | 66.9 | 0 | 0 | 109.3 | V28 L29 T125 | V28-M123 HydrophobicContact CB-CE 4.24Å; V28-M123 HydrophobicContact CG1-CB 4.24Å; V28-M123 HydrophobicContact CG1-CE 3.48Å; V28-M123 VanDerWaalsContact CG1-CE 3.48Å; V28-M123 HydrophobicContact CG2-CB 4.48Å; V28-M123 HydrophobicContact CG2-CE 3.68Å; L29-M123 CarbonylContact C-O 3.5Å; L29-M123 PolarHBondContact N-O 3.2Å; M123-T125 HydrophobicContact CE-CG2 3.78Å; M123-T125 HydrophobicContact CG-CG2 3.98Å; M123-T125 HydrophobicContact SD-CG2 4.15Å |
| 124 | V | 58.7 | Low | 49.7 | Very low | 6 Ų | 6 | 98.7 Ų | 98.7 | 4% | 0.036 | 53% | 0.534 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 123.6 | 175.3 | -177.6 | 0 | 0 | 0 | 0 | 109.7 | L29 L97 I102 G103 Y105 V122 | L29-V124 VanDerWaalsContact O-CA 3.29Å; L29-V124 WeakPolarHBondContact O-CA 3.09Å; L97-V124 HydrophobicContact CD1-CG1 4.31Å; I102-V124 WeakPolarHBondContact CG2-O 3.44Å; G103-V124 PolarHBondContact O-N 3.36Å; Y105-V124 HydrophobicContact CD2-CG2 4.32Å; Y105-V124 HydrophobicContact CE2-CG2 4.1Å; V122-V124 HydrophobicContact CG1-CG2 4.31Å |
| 125 | T | 56.1 | Low | 49.3 | Very low | 44 Ų | 44 | 94.2 Ų | 94.2 | 27% | 0.27 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 149.2 | -173.5 | 155.6 | 0 | 0 | 0 | 0 | 111.2 | L29 M30 A31 M123 | L29-T125 PolarHBondContact O-N 2.97Å; M30-T125 WeakPolarHBondContact CE-OG1 3.17Å; M30-T125 WeakPolarHBondContact SD-CB 2.95Å; M30-T125 HydrophobicContact SD-CG2 4.27Å; M30-T125 PolarHBondContact SD-OG1 3.47Å; A31-T125 PolarHBondContact N-O 2.89Å; M123-T125 HydrophobicContact CE-CG2 3.78Å; M123-T125 HydrophobicContact CG-CG2 3.98Å; M123-T125 HydrophobicContact SD-CG2 4.15Å |
| 126 | E | 53.4 | Low | 48.3 | Very low | 136 Ų | 136 | 96.8 Ų | 96.8 | 64% | 0.636 | 54% | 0.535 | S | S | * | . | trans | -61.9 | 145.3 | -176.6 | -176.1 | 172.4 | -160.9 | 0 | 0 | 112 | M30 A128 | M30-E126 WeakPolarHBondContact CE-O 3.34Å; E126-A128 PolarHBondContact O-N 2.93Å; E126-A128 VanDerWaalsContact O-N 3.13Å | ||
| 127 | K | 48.3 | Very low | 47.6 | Very low | 118 Ų | 118 | 97.9 Ų | 97.9 | 51% | 0.513 | 54% | 0.536 | S | S | . | . | trans | -60.9 | 116.7 | 172.3 | -179.7 | 169.3 | 179.5 | 176.2 | 0 | 109.5 | S32 S129 | S32-K127 WeakPolarHBondContact OG-CB 3.45Å; S32-K127 WeakPolarHBondContact OG-CD 3.35Å; K127-S129 PolarHBondContact O-N 2.95Å | ||
| 128 | A | 44.6 | Very low | 46.7 | Very low | 82 Ų | 82 | 101.4 Ų | 101.4 | 68% | 0.678 | 55% | 0.554 | S | S | * | * | trans | -56.8 | 112 | 158.3 | 0 | 0 | 0 | 0 | 0 | 106.5 | E126 Q130 | E126-A128 PolarHBondContact O-N 2.93Å; E126-A128 VanDerWaalsContact O-N 3.13Å; A128-Q130 PolarHBondContact O-N 3.3Å | ||
| 129 | S | 40.8 | Very low | 45.7 | Very low | 93 Ų | 93 | 105.3 Ų | 105.3 | 65% | 0.65 | 56% | 0.561 | S | S | * | * | trans | -48.2 | 117.1 | 166 | 43.2 | 0 | 0 | 0 | 0 | 107 | K127 E131 | K127-S129 PolarHBondContact O-N 2.95Å; S129-E131 PolarHBondContact O-N 3Å | ||
| 130 | Q | 43.1 | Very low | 45.1 | Very low | 192 Ų | 192 | 109 Ų | 109 | 90% | 0.897 | 56% | 0.561 | S | S | * | * | trans | -72.6 | 64.4 | 170.5 | -165.5 | 169.9 | 16.8 | 0 | 0 | 107.9 | A128 | A128-Q130 PolarHBondContact O-N 3.3Š| ||
| 131 | E | 39.6 | Very low | 44.6 | Very low | 163 Ų | 163 | 113 Ų | 113 | 76% | 0.762 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -116.8 | 98 | 160.2 | -72.7 | -161.3 | 167 | 0 | 0 | 105.8 | S129 C133 | S129-E131 PolarHBondContact O-N 3Å; E131-C133 PolarHBondContact O-N 3.41Å |
| 132 | V | 39.5 | Very low | 44.3 | Very low | 132 Ų | 132 | 114 Ų | 114 | 80% | 0.8 | 60% | 0.598 | S | S | * | * | trans | 27.2 | 79.8 | 159.3 | -169.7 | 0 | 0 | 0 | 0 | 115.2 | K134 | V132-K134 VanDerWaalsContact C-N 3.31Å; V132-K134 HydrophobicContact CG1-CB 4.37Å; V132-K134 HydrophobicContact CG1-CG 4.3Å; V132-K134 PolarHBondContact O-N 3.38Å | ||
| 133 | C | 35.3 | Very low | 43.9 | Very low | 119 Ų | 119 | 117 Ų | 117 | 80% | 0.804 | 62% | 0.617 | S | S | * | * | trans | -87.3 | 80.8 | 144.1 | -88.9 | 0 | 0 | 0 | 0 | 107.8 | E131 S135 | E131-C133 PolarHBondContact O-N 3.41Å; C133-S135 WeakPolarHBondContact CB-O 3.48Å; C133-S135 PolarHBondContact O-N 2.91Å | ||
| 134 | K | 37.1 | Very low | 43.8 | Very low | 191 Ų | 191 | 117.2 Ų | 117.2 | 83% | 0.83 | 63% | 0.626 | S | S | * | * | trans | -67.1 | 121.7 | 141.9 | -84.1 | -159.3 | 175.4 | -178.2 | 0 | 105.4 | V132 | V132-K134 VanDerWaalsContact C-N 3.31Å; V132-K134 HydrophobicContact CG1-CB 4.37Å; V132-K134 HydrophobicContact CG1-CG 4.3Å; V132-K134 PolarHBondContact O-N 3.38Å | ||
| 135 | S | 46.5 | Very low | 43.7 | Very low | 92 Ų | 92 | 122.4 Ų | 122.4 | 64% | 0.643 | 65% | 0.653 | S | S | * | * | trans | 88.2 | 113.4 | -168.2 | -154.8 | 0 | 0 | 0 | 0 | 111.1 | C133 | C133-S135 WeakPolarHBondContact CB-O 3.48Å; C133-S135 PolarHBondContact O-N 2.91Å | ||
| 136 | Q | 37.7 | Very low | 43.8 | Very low | 136 Ų | 136 | 124 Ų | 124 | 64% | 0.636 | 66% | 0.663 | S | S | * | * | cis | -139.8 | 131.9 | 29.5 | -74.3 | 173.5 | -45.1 | 0 | 0 | 111 | ||||
| 137 | E | 36.8 | Very low | 44.4 | Very low | 144 Ų | 144 | 120.1 Ų | 120.1 | 67% | 0.673 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -32.6 | 144 | 145.3 | -170.4 | 75.8 | -174.7 | 0 | 0 | 110.6 | R139 | E137-R139 PolarHBondContact O-N 2.98Š|
| 138 | P | 35.2 | Very low | 45.4 | Very low | 102 Ų | 102 | 117.6 Ų | 117.6 | 66% | 0.662 | 66% | 0.656 | S | S | * | * | trans | -43.9 | 112.5 | 176.5 | 19.5 | -34.4 | 0 | 0 | 0 | 108.9 | R140 | P138-R140 VanDerWaalsContact C-N 3.27Å; P138-R140 PolarHBondContact O-N 3.43Å | ||
| 139 | R | 34.1 | Very low | 46.9 | Very low | 192 Ų | 192 | 118.3 Ų | 118.3 | 73% | 0.725 | 65% | 0.648 | S | S | * | * | trans | -60.5 | 101.9 | -178.1 | -161.9 | 173.9 | -175.2 | 169.8 | -0.2 | 105.5 | E137 T141 | E137-R139 PolarHBondContact O-N 2.98Å; R139-T141 PolarHBondContact O-N 3.36Å; R139-T141 PolarHBondContact O-OG1 2.89Å | ||
| 140 | R | 39.2 | Very low | 48.7 | Very low | 169 Ų | 169 | 116.8 Ų | 116.8 | 64% | 0.638 | 64% | 0.641 | S | S | * | * | trans | -58 | 71.4 | 175.5 | -69.1 | -179.1 | 169.5 | -179.1 | 1.8 | 109.6 | P138 S142 V143 | P138-R140 VanDerWaalsContact C-N 3.27Å; P138-R140 PolarHBondContact O-N 3.43Å; R140-S142 PolarHBondContact O-N 3Å; R140-V143 HydrophobicContact CB-CB 4.13Å; R140-V143 HydrophobicContact CB-CG2 4.02Å; R140-V143 HydrophobicContact CG-CG2 4.13Å | ||
| 141 | T | 45.9 | Very low | 50.3 | Low | 120 Ų | 120 | 111.8 Ų | 111.8 | 74% | 0.736 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | 62 | 162.4 | 47.1 | 0 | 0 | 0 | 0 | 108.2 | R139 | R139-T141 PolarHBondContact O-N 3.36Å; R139-T141 PolarHBondContact O-OG1 2.89Å |
| 142 | S | 46.9 | Very low | 52.3 | Low | 80 Ų | 80 | 105.9 Ų | 105.9 | 56% | 0.559 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -169.9 | -10.7 | 162 | 66.2 | 0 | 0 | 0 | 0 | 113.2 | R140 P146 | R140-S142 PolarHBondContact O-N 3Å; S142-P146 WeakPolarHBondContact O-CD 3.26Å; S142-P146 WeakPolarHBondContact O-CG 3.3Å |
| 143 | V | 46 | Very low | 54.4 | Low | 70 Ų | 70 | 106.7 Ų | 106.7 | 42% | 0.424 | 60% | 0.599 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.7 | -21.1 | 178.8 | -177.5 | 0 | 0 | 0 | 0 | 112.6 | R140 | R140-V143 HydrophobicContact CB-CB 4.13Å; R140-V143 HydrophobicContact CB-CG2 4.02Å; R140-V143 HydrophobicContact CG-CG2 4.13Å |
| 144 | S | 56 | Low | 56.7 | Low | 81 Ų | 81 | 107.9 Ų | 107.9 | 57% | 0.566 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -75.8 | -30.4 | 178.1 | 63.2 | 0 | 0 | 0 | 0 | 113.7 | A148 | S144-A148 WeakPolarHBondContact O-CB 3.08Å; S144-A148 PolarHBondContact O-N 2.97Å |
| 145 | L | 55.7 | Low | 58.9 | Low | 115 Ų | 115 | 103.5 Ų | 103.5 | 60% | 0.602 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65.4 | -52.1 | 178.8 | -101.6 | 150.2 | 0 | 0 | 0 | 113 | A147 A148 L149 | L145-A147 PolarHBondContact O-N 3.43Å; L145-A148 PolarHBondContact O-N 2.92Å; L145-L149 HydrophobicContact CD2-CD1 4.5Å; L145-L149 WeakPolarHBondContact O-CB 3.33Å; L145-L149 WeakPolarHBondContact O-CG 3.31Å; L145-L149 PolarHBondContact O-N 3.49Å |
| 146 | P | 58.7 | Low | 60.8 | Low | 76 Ų | 76 | 104 Ų | 104 | 49% | 0.494 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -67.4 | -35.5 | 178.8 | 23.2 | -30.7 | 0 | 0 | 0 | 112.4 | S142 A150 | S142-P146 WeakPolarHBondContact O-CD 3.26Å; S142-P146 WeakPolarHBondContact O-CG 3.3Å; P146-A150 WeakPolarHBondContact O-CB 3.31Å; P146-A150 PolarHBondContact O-N 3.29Å |
| 147 | A | 65.8 | Low | 62.9 | Low | 55 Ų | 55 | 99.5 Ų | 99.5 | 46% | 0.455 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -67.9 | -44 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L145 A150 V151 | L145-A147 PolarHBondContact O-N 3.43Å; A147-A150 PolarHBondContact O-N 3.19Å; A147-V151 VanDerWaalsContact O-CG2 3.31Å; A147-V151 WeakPolarHBondContact O-CG2 3.41Å; A147-V151 PolarHBondContact O-N 2.87Å |
| 148 | A | 68.3 | Low | 65.1 | Low | 66 Ų | 66 | 96.8 Ų | 96.8 | 55% | 0.545 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.7 | -38.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | S144 L145 G152 | S144-A148 WeakPolarHBondContact O-CB 3.08Å; S144-A148 PolarHBondContact O-N 2.97Å; L145-A148 PolarHBondContact O-N 2.92Å; A148-G152 PolarHBondContact O-N 3.39Å |
| 149 | L | 76.8 | Confident | 67.2 | Low | 96 Ų | 96 | 95.7 Ų | 95.7 | 50% | 0.503 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.5 | -43.9 | 174.1 | -71.5 | 171.7 | 0 | 0 | 0 | 111.4 | L145 V151 G152 F153 | L145-L149 HydrophobicContact CD2-CD1 4.5Å; L145-L149 WeakPolarHBondContact O-CB 3.33Å; L145-L149 WeakPolarHBondContact O-CG 3.31Å; L145-L149 PolarHBondContact O-N 3.49Å; L149-V151 PolarHBondContact O-N 3.46Å; L149-G152 PolarHBondContact O-N 3.08Å; L149-F153 HydrophobicContact CB-CE2 4.39Å; L149-F153 WeakPolarHBondContact O-CD2 3.3Å; L149-F153 PolarHBondContact O-N 2.95Å |
| 150 | A | 77.8 | Confident | 69.4 | Low | 62 Ų | 62 | 91.1 Ų | 91.1 | 51% | 0.512 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.6 | -43.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | P146 A147 F154 | P146-A150 WeakPolarHBondContact O-CB 3.31Å; P146-A150 PolarHBondContact O-N 3.29Å; A147-A150 PolarHBondContact O-N 3.19Å; A150-F154 WeakPolarHBondContact O-CB 3.28Å; A150-F154 PolarHBondContact O-N 3.29Å |
| 151 | V | 77.9 | Confident | 71.3 | Confident | 87 Ų | 87 | 85.2 Ų | 85.2 | 53% | 0.527 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.9 | -42.8 | 174.3 | 174.1 | 0 | 0 | 0 | 0 | 110.8 | A147 L149 F154 L155 | A147-V151 VanDerWaalsContact O-CG2 3.31Å; A147-V151 WeakPolarHBondContact O-CG2 3.41Å; A147-V151 PolarHBondContact O-N 2.87Å; L149-V151 PolarHBondContact O-N 3.46Å; V151-F154 PolarHBondContact O-N 3.16Å; V151-L155 HydrophobicContact CG1-CD1 3.91Å; V151-L155 HydrophobicContact CG1-CG 4.28Å; V151-L155 VanDerWaalsContact O-CG 3.28Å; V151-L155 WeakPolarHBondContact O-CG 3.39Å; V151-L155 PolarHBondContact O-N 2.92Å |
| 152 | G | 80.3 | Confident | 72.6 | Confident | 38 Ų | 38 | 85.2 Ų | 85.2 | 39% | 0.392 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.4 | -47.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | A148 L149 F154 L155 L156 | A148-G152 PolarHBondContact O-N 3.39Å; L149-G152 PolarHBondContact O-N 3.08Å; G152-F154 VanDerWaalsContact C-N 3.34Å; G152-F154 PolarHBondContact O-N 3.3Å; G152-L155 PolarHBondContact O-N 3.46Å; G152-L156 WeakPolarHBondContact O-CB 3.36Å; G152-L156 PolarHBondContact O-N 2.95Å |
| 153 | F | 84.9 | Confident | 73.6 | Confident | 149 Ų | 149 | 85.7 Ų | 85.7 | 65% | 0.654 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.4 | -36.6 | 176.2 | -75 | -64.5 | 0 | 0 | 0 | 112.4 | L149 L156 G157 | L149-F153 HydrophobicContact CB-CE2 4.39Å; L149-F153 WeakPolarHBondContact O-CD2 3.3Å; L149-F153 PolarHBondContact O-N 2.95Å; F153-L156 PolarHBondContact O-N 3.01Å; F153-G157 PolarHBondContact O-N 2.98Å |
| 154 | F | 82.6 | Confident | 74.4 | Confident | 144 Ų | 144 | 86.2 Ų | 86.2 | 63% | 0.632 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.7 | -44.4 | 176.9 | -161.5 | -96.6 | 0 | 0 | 0 | 111.8 | A150 V151 G152 G157 L158 | A150-F154 WeakPolarHBondContact O-CB 3.28Å; A150-F154 PolarHBondContact O-N 3.29Å; V151-F154 PolarHBondContact O-N 3.16Å; G152-F154 VanDerWaalsContact C-N 3.34Å; G152-F154 PolarHBondContact O-N 3.3Å; F154-G157 PolarHBondContact O-N 3.48Å; F154-L158 HydrophobicContact CD1-CD1 3.73Å; F154-L158 HydrophobicContact CD1-CG 4.26Å; F154-L158 HydrophobicContact CE1-CD1 3.68Å; F154-L158 HydrophobicContact CE1-CG 4.19Å; F154-L158 WeakPolarHBondContact O-CG 3.32Å; F154-L158 PolarHBondContact O-N 3.5Å |
| 155 | L | 84.4 | Confident | 74.7 | Confident | 100 Ų | 100 | 85.3 Ų | 85.3 | 52% | 0.524 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.4 | -41.8 | 176.5 | -68 | 174.9 | 0 | 0 | 0 | 111.9 | V151 G152 G157 L158 V159 | V151-L155 HydrophobicContact CG1-CD1 3.91Å; V151-L155 HydrophobicContact CG1-CG 4.28Å; V151-L155 VanDerWaalsContact O-CG 3.28Å; V151-L155 WeakPolarHBondContact O-CG 3.39Å; V151-L155 PolarHBondContact O-N 2.92Å; G152-L155 PolarHBondContact O-N 3.46Å; L155-G157 VanDerWaalsContact C-N 3.33Å; L155-G157 PolarHBondContact O-N 2.93Å; L155-L158 PolarHBondContact O-N 3.34Å; L155-V159 WeakPolarHBondContact O-CG2 3.36Å; L155-V159 PolarHBondContact O-N 3.27Å |
| 156 | L | 84.9 | Confident | 75 | Confident | 102 Ų | 102 | 84.9 Ų | 84.9 | 53% | 0.534 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63 | -41.3 | 175.7 | -168.1 | 71 | 0 | 0 | 0 | 111.3 | G152 F153 V159 L160 | G152-L156 WeakPolarHBondContact O-CB 3.36Å; G152-L156 PolarHBondContact O-N 2.95Å; F153-L156 PolarHBondContact O-N 3.01Å; L156-V159 PolarHBondContact O-N 2.91Å; L156-L160 HydrophobicContact CG-CD1 4.23Å; L156-L160 WeakPolarHBondContact O-CB 3.33Å; L156-L160 WeakPolarHBondContact O-CG 3.44Å; L156-L160 PolarHBondContact O-N 3.38Å |
| 157 | G | 82.4 | Confident | 75 | Confident | 42 Ų | 42 | 90.4 Ų | 90.4 | 43% | 0.433 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.8 | -41.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | F153 F154 L155 G161 | F153-G157 PolarHBondContact O-N 2.98Å; F154-G157 PolarHBondContact O-N 3.48Å; L155-G157 VanDerWaalsContact C-N 3.33Å; L155-G157 PolarHBondContact O-N 2.93Å; G157-G161 WeakPolarHBondContact O-CA 3.2Å; G157-G161 PolarHBondContact O-N 2.94Å |
| 158 | L | 83.8 | Confident | 74.8 | Confident | 86 Ų | 86 | 95.5 Ų | 95.5 | 45% | 0.45 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.8 | -43.5 | 175.7 | -75.2 | 172 | 0 | 0 | 0 | 112.4 | F154 L155 G161 L162 | F154-L158 HydrophobicContact CD1-CD1 3.73Å; F154-L158 HydrophobicContact CD1-CG 4.26Å; F154-L158 HydrophobicContact CE1-CD1 3.68Å; F154-L158 HydrophobicContact CE1-CG 4.19Å; F154-L158 WeakPolarHBondContact O-CG 3.32Å; F154-L158 PolarHBondContact O-N 3.5Å; L155-L158 PolarHBondContact O-N 3.34Å; L158-G161 PolarHBondContact O-N 3.36Å; L158-L162 WeakPolarHBondContact O-CB 3.35Å; L158-L162 WeakPolarHBondContact O-CG 3.49Å; L158-L162 PolarHBondContact O-N 3.36Å |
| 159 | V | 79.7 | Confident | 74.5 | Confident | 79 Ų | 79 | 96.1 Ų | 96.1 | 48% | 0.479 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.5 | -47.3 | 177.6 | 170.7 | 0 | 0 | 0 | 0 | 110.5 | L155 L156 G161 L162 L163 | L155-V159 WeakPolarHBondContact O-CG2 3.36Å; L155-V159 PolarHBondContact O-N 3.27Å; L156-V159 PolarHBondContact O-N 2.91Å; V159-G161 VanDerWaalsContact C-N 3.33Å; V159-G161 PolarHBondContact O-N 3.43Å; V159-L162 PolarHBondContact O-N 2.89Å; V159-L163 HydrophobicContact CG1-CD1 3.67Å; V159-L163 HydrophobicContact CG1-CG 4.4Å; V159-L163 WeakPolarHBondContact O-CB 3.34Å; V159-L163 WeakPolarHBondContact O-CG 3.39Å; V159-L163 PolarHBondContact O-N 3.45Å |
| 160 | L | 80.1 | Confident | 73.6 | Confident | 97 Ų | 97 | 97.7 Ų | 97.7 | 51% | 0.508 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.2 | -39.6 | 175.6 | -69.4 | 170.3 | 0 | 0 | 0 | 111.5 | L156 L162 L163 C164 | L156-L160 HydrophobicContact CG-CD1 4.23Å; L156-L160 WeakPolarHBondContact O-CB 3.33Å; L156-L160 WeakPolarHBondContact O-CG 3.44Å; L156-L160 PolarHBondContact O-N 3.38Å; L160-L162 VanDerWaalsContact C-N 3.34Å; L160-L162 PolarHBondContact O-N 3.47Å; L160-L163 PolarHBondContact O-N 2.88Å; L160-C164 WeakPolarHBondContact O-CB 3.45Å; L160-C164 PolarHBondContact O-N 3.08Å; L160-C164 PolarHBondContact O-SG 2.88Å |
| 161 | G | 77.8 | Confident | 72.8 | Confident | 45 Ų | 45 | 99.7 Ų | 99.7 | 46% | 0.464 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.4 | -30 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | G157 L158 V159 P165 | G157-G161 WeakPolarHBondContact O-CA 3.2Å; G157-G161 PolarHBondContact O-N 2.94Å; L158-G161 PolarHBondContact O-N 3.36Å; V159-G161 VanDerWaalsContact C-N 3.33Å; V159-G161 PolarHBondContact O-N 3.43Å; G161-P165 WeakPolarHBondContact O-CD 3.29Å; G161-P165 WeakPolarHBondContact O-CG 3.41Å |
| 162 | L | 74.2 | Confident | 71.8 | Confident | 120 Ų | 120 | 103.2 Ų | 103.2 | 63% | 0.628 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -85.1 | -33.1 | 174 | -74 | 164 | 0 | 0 | 0 | 112.5 | L158 V159 L160 P165 L166 | L158-L162 WeakPolarHBondContact O-CB 3.35Å; L158-L162 WeakPolarHBondContact O-CG 3.49Å; L158-L162 PolarHBondContact O-N 3.36Å; V159-L162 PolarHBondContact O-N 2.89Å; L160-L162 VanDerWaalsContact C-N 3.34Å; L160-L162 PolarHBondContact O-N 3.47Å; L162-P165 VanDerWaalsContact O-CD 3.29Å; L162-P165 WeakPolarHBondContact O-CD 2.84Å; L162-P165 VanDerWaalsContact O-CG 3.31Å; L162-P165 WeakPolarHBondContact O-CG 3.48Å; L162-L166 WeakPolarHBondContact O-CD1 3.31Å |
| 163 | L | 67.3 | Low | 70.6 | Confident | 89 Ų | 89 | 108.5 Ų | 108.5 | 47% | 0.466 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -74.4 | -31.2 | 176.2 | -70.7 | 171 | 0 | 0 | 0 | 112.8 | V159 L160 L166 R167 | V159-L163 HydrophobicContact CG1-CD1 3.67Å; V159-L163 HydrophobicContact CG1-CG 4.4Å; V159-L163 WeakPolarHBondContact O-CB 3.34Å; V159-L163 WeakPolarHBondContact O-CG 3.39Å; V159-L163 PolarHBondContact O-N 3.45Å; L160-L163 PolarHBondContact O-N 2.88Å; L163-L166 PolarHBondContact O-N 3.27Å; L163-R167 PolarHBondContact O-N 2.81Å |
| 164 | C | 62 | Low | 69.1 | Low | 81 Ų | 81 | 107.3 Ų | 107.3 | 55% | 0.547 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -59.3 | -48.6 | 177 | -77.9 | 0 | 0 | 0 | 0 | 114.2 | L160 R167 K168 | L160-C164 WeakPolarHBondContact O-CB 3.45Å; L160-C164 PolarHBondContact O-N 3.08Å; L160-C164 PolarHBondContact O-SG 2.88Å; C164-R167 PolarHBondContact O-N 3.46Å; C164-K168 PolarHBondContact O-N 2.97Å |
| 165 | P | 63.6 | Low | 67.8 | Low | 63 Ų | 63 | 104.4 Ų | 104.4 | 41% | 0.409 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -70.2 | -33.8 | 175.9 | 26.9 | -33.9 | 0 | 0 | 0 | 111.7 | G161 L162 K168 T169 | G161-P165 WeakPolarHBondContact O-CD 3.29Å; G161-P165 WeakPolarHBondContact O-CG 3.41Å; L162-P165 VanDerWaalsContact O-CD 3.29Å; L162-P165 WeakPolarHBondContact O-CD 2.84Å; L162-P165 VanDerWaalsContact O-CG 3.31Å; L162-P165 WeakPolarHBondContact O-CG 3.48Å; P165-K168 CarbonylContact O-C 3.58Å; P165-K168 PolarHBondContact O-N 3.07Å; P165-T169 WeakPolarHBondContact O-CG2 3.04Å; P165-T169 PolarHBondContact O-N 3.11Å; P165-T169 PolarHBondContact O-OG1 3.01Å; P165-T169 VanDerWaalsContact O-OG1 3.07Å |
| 166 | L | 60.7 | Low | 66.4 | Low | 105 Ų | 105 | 102.6 Ų | 102.6 | 55% | 0.55 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.1 | -41.2 | 173.5 | -104.4 | 81.7 | 0 | 0 | 0 | 112.1 | L162 L163 T169 Q170 | L162-L166 WeakPolarHBondContact O-CD1 3.31Å; L163-L166 PolarHBondContact O-N 3.27Å; L166-T169 WeakPolarHBondContact CA-OG1 3.32Å; L166-T169 PolarHBondContact O-OG1 2.89Å; L166-Q170 WeakPolarHBondContact O-CB 3.31Å; L166-Q170 WeakPolarHBondContact O-CG 3.43Å; L166-Q170 PolarHBondContact O-N 3.2Å |
| 167 | R | 59.5 | Low | 64.7 | Low | 192 Ų | 192 | 102 Ų | 102 | 73% | 0.725 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -67.7 | -38.4 | 172.8 | -80.1 | -171.7 | 173 | -179.1 | -0.9 | 111.6 | L163 C164 I171 | L163-R167 PolarHBondContact O-N 2.81Å; C164-R167 PolarHBondContact O-N 3.46Å; R167-I171 WeakPolarHBondContact O-CB 3.39Å; R167-I171 VanDerWaalsContact O-CD1 3.31Å; R167-I171 WeakPolarHBondContact O-CD1 3.3Å; R167-I171 WeakPolarHBondContact O-CG1 3.47Å; R167-I171 PolarHBondContact O-N 2.8Å |
| 168 | K | 61.6 | Low | 63 | Low | 162 Ų | 162 | 110.1 Ų | 110.1 | 70% | 0.704 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65.8 | -37.3 | 175.2 | -106.3 | -163.3 | 175.2 | -173.3 | 0 | 113 | C164 P165 K172 | C164-K168 PolarHBondContact O-N 2.97Å; P165-K168 CarbonylContact O-C 3.58Å; P165-K168 PolarHBondContact O-N 3.07Å; K168-K172 WeakPolarHBondContact O-CB 3.35Å; K168-K172 PolarHBondContact O-N 3.48Å |
| 169 | T | 62.3 | Low | 61.3 | Low | 80 Ų | 80 | 113.2 Ų | 113.2 | 49% | 0.491 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -72.7 | -40.3 | 176.5 | 51.2 | 0 | 0 | 0 | 0 | 111.6 | P165 L166 I171 K172 E173 | P165-T169 WeakPolarHBondContact O-CG2 3.04Å; P165-T169 PolarHBondContact O-N 3.11Å; P165-T169 PolarHBondContact O-OG1 3.01Å; P165-T169 VanDerWaalsContact O-OG1 3.07Å; L166-T169 WeakPolarHBondContact CA-OG1 3.32Å; L166-T169 PolarHBondContact O-OG1 2.89Å; T169-I171 VanDerWaalsContact C-N 3.35Å; T169-I171 PolarHBondContact O-N 2.97Å; T169-K172 PolarHBondContact O-N 3.46Å; T169-E173 WeakPolarHBondContact O-CB 3.47Å; T169-E173 WeakPolarHBondContact O-CG 3.45Å; T169-E173 PolarHBondContact O-N 2.98Å |
| 170 | Q | 57.7 | Low | 60.1 | Low | 129 Ų | 129 | 119 Ų | 119 | 60% | 0.603 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -59.3 | -42.7 | 172.1 | -70.3 | -99.1 | -5.8 | 0 | 0 | 111.9 | L166 L174 | L166-Q170 WeakPolarHBondContact O-CB 3.31Å; L166-Q170 WeakPolarHBondContact O-CG 3.43Å; L166-Q170 PolarHBondContact O-N 3.2Å; Q170-L174 WeakPolarHBondContact O-CD1 3.46Å; Q170-L174 VanDerWaalsContact O-CG 3.3Å; Q170-L174 WeakPolarHBondContact O-CG 3.43Å; Q170-L174 PolarHBondContact O-N 3.32Å; Q170-L174 VanDerWaalsContact O-N 3.11Å |
| 171 | I | 60.3 | Low | 58.8 | Low | 103 Ų | 103 | 120.3 Ų | 120.3 | 53% | 0.528 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -68.6 | -37.1 | 176 | -66.3 | 162.7 | 0 | 0 | 0 | 111.3 | R167 T169 L174 C175 | R167-I171 WeakPolarHBondContact O-CB 3.39Å; R167-I171 VanDerWaalsContact O-CD1 3.31Å; R167-I171 WeakPolarHBondContact O-CD1 3.3Å; R167-I171 WeakPolarHBondContact O-CG1 3.47Å; R167-I171 PolarHBondContact O-N 2.8Å; T169-I171 VanDerWaalsContact C-N 3.35Å; T169-I171 PolarHBondContact O-N 2.97Å; I171-L174 PolarHBondContact O-N 3.03Å; I171-C175 WeakPolarHBondContact O-CB 3.14Å; I171-C175 PolarHBondContact O-N 3.44Å; I171-C175 PolarHBondContact O-SG 3.22Å; I171-C175 VanDerWaalsContact O-SG 3.32Å |
| 172 | K | 56.5 | Low | 57.3 | Low | 162 Ų | 162 | 124.1 Ų | 124.1 | 70% | 0.704 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -68.3 | -38.7 | 177.7 | -165.7 | 179.3 | 179.7 | -171.8 | 0 | 112 | K168 T169 C175 A176 | K168-K172 WeakPolarHBondContact O-CB 3.35Å; K168-K172 PolarHBondContact O-N 3.48Å; T169-K172 PolarHBondContact O-N 3.46Å; K172-C175 PolarHBondContact O-N 3.45Å; K172-A176 VanDerWaalsContact O-CB 3.27Å; K172-A176 WeakPolarHBondContact O-CB 3.27Å; K172-A176 PolarHBondContact O-N 3.32Å |
| 173 | E | 56.2 | Low | 55.6 | Low | 148 Ų | 148 | 129.4 Ų | 129.4 | 69% | 0.692 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -62.9 | -45.2 | 173.5 | -82.5 | -78.5 | 145.8 | 0 | 0 | 111.8 | T169 C175 A176 S177 | T169-E173 WeakPolarHBondContact O-CB 3.47Å; T169-E173 WeakPolarHBondContact O-CG 3.45Å; T169-E173 PolarHBondContact O-N 2.98Å; E173-C175 PolarHBondContact O-N 2.96Å; E173-A176 PolarHBondContact O-N 3.46Å; E173-S177 WeakPolarHBondContact O-CB 3.38Å; E173-S177 PolarHBondContact O-N 3.02Å |
| 174 | L | 54.2 | Low | 54.9 | Low | 124 Ų | 124 | 130.8 Ų | 130.8 | 65% | 0.649 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -66.8 | -33.1 | 177.4 | -70.8 | 165.8 | 0 | 0 | 0 | 113.2 | Q170 I171 | Q170-L174 WeakPolarHBondContact O-CD1 3.46Å; Q170-L174 VanDerWaalsContact O-CG 3.3Å; Q170-L174 WeakPolarHBondContact O-CG 3.43Å; Q170-L174 PolarHBondContact O-N 3.32Å; Q170-L174 VanDerWaalsContact O-N 3.11Å; I171-L174 PolarHBondContact O-N 3.03Å |
| 175 | C | 54.7 | Low | 54.2 | Low | 83 Ų | 83 | 132.5 Ų | 132.5 | 56% | 0.561 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -80.9 | -32 | 176.6 | -70.1 | 0 | 0 | 0 | 0 | 113.2 | I171 K172 E173 R178 | I171-C175 WeakPolarHBondContact O-CB 3.14Å; I171-C175 PolarHBondContact O-N 3.44Å; I171-C175 PolarHBondContact O-SG 3.22Å; I171-C175 VanDerWaalsContact O-SG 3.32Å; K172-C175 PolarHBondContact O-N 3.45Å; E173-C175 PolarHBondContact O-N 2.96Å; C175-R178 PolarHBondContact O-N 2.91Å |
| 176 | A | 54.4 | Low | 53.7 | Low | 63 Ų | 63 | 135.2 Ų | 135.2 | 52% | 0.521 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -72 | -32.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | K172 E173 R178 D179 | K172-A176 VanDerWaalsContact O-CB 3.27Å; K172-A176 WeakPolarHBondContact O-CB 3.27Å; K172-A176 PolarHBondContact O-N 3.32Å; E173-A176 PolarHBondContact O-N 3.46Å; A176-R178 PolarHBondContact O-N 3.38Å; A176-D179 PolarHBondContact O-N 3.36Å |
| 177 | S | 50.1 | Low | 53.1 | Low | 89 Ų | 89 | 139.9 Ų | 139.9 | 62% | 0.622 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -64.3 | -25.6 | 171.6 | 178.9 | 0 | 0 | 0 | 0 | 113 | E173 | E173-S177 WeakPolarHBondContact O-CB 3.38Å; E173-S177 PolarHBondContact O-N 3.02Å |
| 178 | R | 45.7 | Very low | 52.5 | Low | 212 Ų | 212 | 138.2 Ų | 138.2 | 80% | 0.8 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -81.6 | -14.5 | -179 | -175 | 172 | 164.4 | -179.7 | -4.3 | 113.5 | C175 A176 | C175-R178 PolarHBondContact O-N 2.91Å; A176-R178 PolarHBondContact O-N 3.38Å |
| 179 | D | 48.5 | Very low | 51.8 | Low | 151 Ų | 151 | 137.2 Ų | 137.2 | 81% | 0.807 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -87.6 | -4.5 | -179 | -156.9 | 39.1 | 0 | 0 | 0 | 113.4 | A176 | A176-D179 PolarHBondContact O-N 3.36Š|
| 180 | K | 53.9 | Low | 51.3 | Low | 200 Ų | 200 | 141.6 Ų | 141.6 | 87% | 0.87 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -97.2 | -2.9 | 176.8 | -87.7 | -177.8 | 178.1 | 176.4 | 0 | 115 | ||
| 181 | D | 53.3 | Low | 50.8 | Low | 126 Ų | 126 | 139.6 Ų | 139.6 | 67% | 0.674 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -135 | 125.7 | 176.7 | -151.8 | -1.3 | 0 | 0 | 0 | 111.5 | ||
| 182 | T | 46.6 | Very low | 50.4 | Low | 124 Ų | 124 | 146.4 Ų | 146.4 | 76% | 0.761 | 74% | 0.737 | S | S | * | * | trans | 65.2 | 102.6 | 179.4 | 38.1 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 183 | R | 39.2 | Very low | 49.8 | Very low | 231 Ų | 231 | 143.4 Ų | 143.4 | 87% | 0.872 | 74% | 0.736 | S | S | * | * | -168.3 | 126.3 | 97.3 | -99.1 | 167.8 | -171.6 | 158.3 | 1.8 | 112.9 | V185 | R183-V185 PolarHBondContact O-N 3.13Å; R183-V185 VanDerWaalsContact O-N 3.13Å | |||
| 184 | C | 50.9 | Low | 49 | Very low | 118 Ų | 118 | 146 Ų | 146 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | trans | -42.8 | 110 | 160.6 | -167.1 | 0 | 0 | 0 | 0 | 110.1 | V186 | C184-V186 PolarHBondContact O-N 3.38Š| ||
| 185 | V | 48.8 | Very low | 48.6 | Very low | 117 Ų | 117 | 151.7 Ų | 151.7 | 71% | 0.709 | 76% | 0.758 | S | S | * | * | trans | -86.7 | 95 | 164.8 | -176.8 | 0 | 0 | 0 | 0 | 105.7 | R183 Y187 | R183-V185 PolarHBondContact O-N 3.13Å; R183-V185 VanDerWaalsContact O-N 3.13Å; V185-Y187 HydrophobicContact CG1-CD2 4.06Å; V185-Y187 PolarHBondContact O-N 3.13Å; V185-Y187 VanDerWaalsContact O-N 3.13Å | ||
| 186 | V | 52.5 | Low | 47.9 | Very low | 120 Ų | 120 | 157.7 Ų | 157.7 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | -65.7 | 104.6 | 161.7 | 176.2 | 0 | 0 | 0 | 0 | 105.8 | C184 | C184-V186 PolarHBondContact O-N 3.38Š| ||
| 187 | Y | 48 | Very low | 47.3 | Very low | 204 Ų | 204 | 160.9 Ų | 160.9 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | trans | -87.1 | 115.9 | 166.1 | -133.3 | -88.5 | 0 | 0 | 0 | 106.7 | V185 D189 | V185-Y187 HydrophobicContact CG1-CD2 4.06Å; V185-Y187 PolarHBondContact O-N 3.13Å; V185-Y187 VanDerWaalsContact O-N 3.13Å; Y187-D189 PolarHBondContact O-N 3.08Å; Y187-D189 VanDerWaalsContact O-N 3.08Å | ||
| 188 | E | 46.7 | Very low | 47.1 | Very low | 157 Ų | 157 | 161.6 Ų | 161.6 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | trans | -65.5 | 106.3 | 163.5 | -91.6 | -178.6 | 136.9 | 0 | 0 | 107.8 | M190 | E188-M190 PolarHBondContact O-N 3.15Å; E188-M190 VanDerWaalsContact O-N 3.15Å | ||
| 189 | D | 47.5 | Very low | 46.6 | Very low | 140 Ų | 140 | 157.4 Ų | 157.4 | 75% | 0.749 | 79% | 0.792 | S | S | * | * | trans | -74.6 | 95.1 | 171.2 | -174.8 | 23 | 0 | 0 | 0 | 108.7 | Y187 | Y187-D189 PolarHBondContact O-N 3.08Å; Y187-D189 VanDerWaalsContact O-N 3.08Å | ||
| 190 | M | 51.3 | Low | 46.4 | Very low | 173 Ų | 173 | 154.7 Ų | 154.7 | 85% | 0.852 | 79% | 0.791 | S | S | * | * | trans | -103.7 | 82.7 | 164.6 | -80 | -161.6 | -87.5 | 0 | 0 | 109.4 | E188 | E188-M190 PolarHBondContact O-N 3.15Å; E188-M190 VanDerWaalsContact O-N 3.15Å | ||
| 191 | S | 48.1 | Very low | 46 | Very low | 86 Ų | 86 | 151.1 Ų | 151.1 | 60% | 0.601 | 79% | 0.788 | S | S | * | * | trans | -133.2 | 96.7 | 168.7 | 172.6 | 0 | 0 | 0 | 0 | 109.6 | S193 | S191-S193 PolarHBondContact O-N 3.14Å; S191-S193 VanDerWaalsContact O-N 3.14Å | ||
| 192 | Y | 51.4 | Low | 45.2 | Very low | 246 Ų | 246 | 152.2 Ų | 152.2 | 97% | 0.965 | 79% | 0.794 | S | S | * | * | trans | -62.6 | 104.8 | 170.8 | -129.8 | -99.3 | 0 | 0 | 0 | 109.4 | ||||
| 193 | S | 44.4 | Very low | 44.9 | Very low | 100 Ų | 100 | 154.9 Ų | 154.9 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | trans | -151.6 | 110.2 | 158.4 | 71 | 0 | 0 | 0 | 0 | 114.4 | S191 | S191-S193 PolarHBondContact O-N 3.14Å; S191-S193 VanDerWaalsContact O-N 3.14Å | ||
| 194 | K | 38.9 | Very low | 44.7 | Very low | 202 Ų | 202 | 154.6 Ų | 154.6 | 88% | 0.878 | 80% | 0.798 | S | S | * | * | trans | 38.5 | 108 | 143.5 | -66 | -172.7 | 178.2 | 179.3 | 0 | 119.7 | ||||
| 195 | R | 46.7 | Very low | 44.1 | Very low | 244 Ų | 244 | 161.7 Ų | 161.7 | 92% | 0.921 | 82% | 0.819 | S | S | * | * | trans | 2 | 117.2 | 136.4 | -64.1 | -177.2 | -175.2 | -178.5 | 1.1 | 115.8 | ||||
| 196 | K | 38.8 | Very low | 43.9 | Very low | 208 Ų | 208 | 163.9 Ų | 163.9 | 90% | 0.904 | 82% | 0.824 | S | S | * | * | -143.9 | 138.4 | 122.9 | -77.7 | -162.2 | -178.4 | 177.7 | 0 | 110.5 | |||||
| 197 | T | 41.3 | Very low | 43.4 | Very low | 131 Ų | 131 | 166.2 Ų | 166.2 | 80% | 0.804 | 83% | 0.829 | S | S | * | * | trans | -73.1 | -177.8 | -176 | -15.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 198 | P | 46.6 | Very low | 43.2 | Very low | 103 Ų | 103 | 164.1 Ų | 164.1 | 67% | 0.669 | 83% | 0.831 | S | S | * | * | -127.5 | -174 | -103.4 | 44 | -26.6 | 0 | 0 | 0 | 115 | |||||
| 199 | C | 35.8 | Very low | 43 | Very low | 125 Ų | 125 | 164.5 Ų | 164.5 | 85% | 0.845 | 84% | 0.837 | S | S | * | * | trans | 90.2 | 137 | 147.2 | -69 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 200 | A | 42.9 | Very low | 42.7 | Very low | 94 Ų | 94 | 166.1 Ų | 166.1 | 78% | 0.777 | 84% | 0.842 | S | S | * | * | trans | -60.9 | -176.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 201 | P | 46.6 | Very low | 42.1 | Very low | 124 Ų | 124 | 165.6 Ų | 165.6 | 81% | 0.805 | 84% | 0.842 | S | S | * | * | cis | -147.9 | -171.2 | 27.2 | 39.9 | -15 | 0 | 0 | 0 | 117.9 | ||||
| 202 | N | 36.9 | Very low | 41.7 | Very low | 149 Ų | 149 | 171.3 Ų | 171.3 | 80% | 0.797 | 86% | 0.859 | S | S | * | * | trans | -51.3 | 156.6 | -176.2 | -68.8 | -40.3 | 0 | 0 | 0 | 117.8 | ||||
| 203 | Q | 39.3 | Very low | 41 | Very low | 180 Ų | 180 | 165.5 Ų | 165.5 | 84% | 0.841 | 85% | 0.851 | S | S | * | * | trans | -51.4 | 140.9 | 160.7 | -74 | 174.8 | -49.8 | 0 | 0 | 113 | ||||
| 204 | Y | 34.6 | Very low | 40.7 | Very low | 226 Ų | 226 | 171 Ų | 171 | 89% | 0.886 | 86% | 0.863 | S | S | * | * | trans | -152.1 | 157.7 | 130.3 | -75.2 | -69.1 | 0 | 0 | 0 | 109 | ||||
| 205 | H | 39.8 | Very low | 40.8 | Very low | 266 Ų | 266 | 168.2 Ų | 168.2 | 100% | 1.231 | 86% | 0.862 | S | S | * | * | trans | -45.8 | 0 | -178.1 | -83.8 | -82.4 | 0 | 0 | 0 | 116.3 |
Retrieved 205 of 205 residues in 120.1 ms
(Link to these results)