| 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 | 37.5 | Very low | 53.3 | Low | 230 Ų | 230 | 128.5 Ų | 128.5 | 100% | 1.133 | 67% | 0.666 | S | S | * | * | 0 | 90 | 0 | -147 | 165 | -175.4 | 0 | 0 | 107.3 | |||||
| 2 | K | 34.2 | Very low | 55.7 | Low | 203 Ų | 203 | 128.9 Ų | 128.9 | 88% | 0.883 | 66% | 0.659 | S | S | * | * | trans | -100.8 | 99.6 | -178.8 | -72.7 | -173.9 | 178.5 | -178.3 | 0 | 108 | ||||
| 3 | R | 42.9 | Very low | 57.9 | Low | 232 Ų | 232 | 128.1 Ų | 128.1 | 88% | 0.875 | 65% | 0.647 | S | S | * | * | trans | -123.5 | 87.2 | 166.9 | -81.8 | -174.4 | 175.6 | 178.1 | -2.2 | 106.8 | ||||
| 4 | A | 43.3 | Very low | 59.9 | Low | 96 Ų | 96 | 121.6 Ų | 121.6 | 79% | 0.793 | 61% | 0.614 | S | S | * | * | S | Bend | trans | 179 | 31.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 5 | V | 44.3 | Very low | 61.8 | Low | 123 Ų | 123 | 114.3 Ų | 114.3 | 75% | 0.745 | 58% | 0.577 | S | S | * | * | trans | -122 | -7.1 | 173.8 | -167 | 0 | 0 | 0 | 0 | 112 | C7 | V5-C7 WeakPolarHBondContact O-CA 3.37Š| ||
| 6 | D | 47.4 | Very low | 63.5 | Low | 153 Ų | 153 | 112.1 Ų | 112.1 | 82% | 0.818 | 57% | 0.574 | S | S | * | * | trans | -80.4 | 125 | 166.8 | -67.2 | -42.7 | 0 | 0 | 0 | 109.4 | ||||
| 7 | C | 54.8 | Low | 65 | Low | 35 Ų | 35 | 108.1 Ų | 108.1 | 24% | 0.236 | 55% | 0.554 | C | S | . | * | cis | -158.3 | 133.2 | -40.4 | -179.9 | 0 | 0 | 0 | 0 | 102 | V5 E9 N10 | V5-C7 WeakPolarHBondContact O-CA 3.37Å; C7-E9 HydrophobicContact CB-CB 4.46Å; C7-E9 PolarHBondContact O-N 3.04Å; C7-N10 PolarHBondContact O-N 3.37Å | ||
| 8 | P | 61.2 | Low | 66.5 | Low | 96 Ų | 96 | 102.4 Ų | 102.4 | 62% | 0.623 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -50 | -18.4 | 173.6 | -27.8 | 34.6 | 0 | 0 | 0 | 114.3 | K12 | P8-K12 WeakPolarHBondContact O-CD 3.16Å; P8-K12 VanDerWaalsContact O-CG 3.24Å; P8-K12 WeakPolarHBondContact O-CG 3.39Å; P8-K12 PolarHBondContact O-N 3.25Å |
| 9 | E | 68.2 | Low | 67.8 | Low | 120 Ų | 120 | 103.3 Ų | 103.3 | 56% | 0.561 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -74.4 | -35.7 | 176.6 | -63.1 | 176.1 | 166.7 | 0 | 0 | 113.8 | C7 K12 K13 | C7-E9 HydrophobicContact CB-CB 4.46Å; C7-E9 PolarHBondContact O-N 3.04Å; E9-K12 PolarHBondContact O-N 3.24Å; E9-K13 WeakPolarHBondContact O-CG 3.4Å; E9-K13 PolarHBondContact O-N 3.23Å |
| 10 | N | 72.4 | Confident | 69 | Low | 55 Ų | 55 | 104.2 Ų | 104.2 | 29% | 0.294 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.7 | -44 | -179.8 | -69.9 | -2.3 | 0 | 0 | 0 | 110.5 | C7 K12 K13 E14 | C7-N10 PolarHBondContact O-N 3.37Å; N10-K12 VanDerWaalsContact C-N 3.3Å; N10-K12 PolarHBondContact O-N 2.84Å; N10-K13 WeakPolarHBondContact O-CB 3.43Å; N10-K13 PolarHBondContact O-N 3.32Å; N10-K13 VanDerWaalsContact O-N 3.16Å; N10-E14 WeakPolarHBondContact O-CB 3.41Å; N10-E14 PolarHBondContact O-N 3.43Å |
| 11 | I | 80.3 | Confident | 70.2 | Confident | 70 Ų | 70 | 99.8 Ų | 99.8 | 36% | 0.359 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.1 | -37.9 | 175 | -61.1 | 168.4 | 0 | 0 | 0 | 111.2 | E14 I15 Q39 | I11-E14 PolarHBondContact O-N 3.14Å; I11-I15 HydrophobicContact CG2-CD1 3.93Å; I11-I15 HydrophobicContact CG2-CG1 4.48Å; I11-I15 VanDerWaalsContact O-CG1 3.27Å; I11-I15 WeakPolarHBondContact O-CG1 3.49Å; I11-I15 PolarHBondContact O-N 2.9Å; I11-Q39 HydrophobicContact CG2-CB 4.19Å; I11-Q39 HydrophobicContact CG2-CG 4.02Å |
| 12 | K | 82.1 | Confident | 73 | Confident | 134 Ų | 134 | 94.7 Ų | 94.7 | 58% | 0.583 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.4 | -43.4 | 174.9 | -76.8 | 172.5 | -176.1 | 178.2 | 0 | 111.7 | P8 E9 N10 I15 C16 | P8-K12 WeakPolarHBondContact O-CD 3.16Å; P8-K12 VanDerWaalsContact O-CG 3.24Å; P8-K12 WeakPolarHBondContact O-CG 3.39Å; P8-K12 PolarHBondContact O-N 3.25Å; E9-K12 PolarHBondContact O-N 3.24Å; N10-K12 VanDerWaalsContact C-N 3.3Å; N10-K12 PolarHBondContact O-N 2.84Å; K12-I15 PolarHBondContact O-N 3.39Å; K12-C16 WeakPolarHBondContact O-CB 3.34Å; K12-C16 PolarHBondContact O-N 3.26Å; K12-C16 PolarHBondContact O-SG 3.13Å |
| 13 | K | 83.6 | Confident | 76.1 | Confident | 118 Ų | 118 | 87.2 Ų | 87.2 | 51% | 0.513 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.6 | -47 | 175.4 | -74.9 | 172.9 | -177.2 | 171.3 | 0 | 110.7 | E9 N10 I15 C16 I17 | E9-K13 WeakPolarHBondContact O-CG 3.4Å; E9-K13 PolarHBondContact O-N 3.23Å; N10-K13 WeakPolarHBondContact O-CB 3.43Å; N10-K13 PolarHBondContact O-N 3.32Å; N10-K13 VanDerWaalsContact O-N 3.16Å; K13-I15 PolarHBondContact O-N 2.9Å; K13-C16 WeakPolarHBondContact O-CB 3.5Å; K13-C16 PolarHBondContact O-N 3.31Å; K13-C16 VanDerWaalsContact O-N 3.12Å; K13-I17 WeakPolarHBondContact O-CB 3.46Å; K13-I17 WeakPolarHBondContact O-CG1 3.44Å; K13-I17 PolarHBondContact O-N 3.39Å |
| 14 | E | 86 | Confident | 78.7 | Confident | 37 Ų | 37 | 83 Ų | 83 | 17% | 0.173 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -58.5 | -46.9 | 178.2 | -172.5 | -175.3 | 172.3 | 0 | 0 | 111.5 | N10 I11 C16 I17 N18 | N10-E14 WeakPolarHBondContact O-CB 3.41Å; N10-E14 PolarHBondContact O-N 3.43Å; I11-E14 PolarHBondContact O-N 3.14Å; E14-C16 VanDerWaalsContact C-N 3.34Å; E14-C16 PolarHBondContact O-N 2.86Å; E14-I17 PolarHBondContact O-N 2.82Å; E14-N18 WeakPolarHBondContact CG-ND2 3.45Å; E14-N18 VanDerWaalsContact O-CB 3.3Å; E14-N18 WeakPolarHBondContact O-CB 3.26Å; E14-N18 PolarHBondContact O-N 3.44Å; E14-N18 PolarHBondContact O-ND2 3.12Å |
| 15 | I | 88.6 | Confident | 81.3 | Confident | 13 Ų | 13 | 78.7 Ų | 78.7 | 7% | 0.067 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -60.3 | -43.9 | 174.6 | -69 | 164.5 | 0 | 0 | 0 | 111.2 | I11 K12 K13 K19 F29 H32 L41 | I11-I15 HydrophobicContact CG2-CD1 3.93Å; I11-I15 HydrophobicContact CG2-CG1 4.48Å; I11-I15 VanDerWaalsContact O-CG1 3.27Å; I11-I15 WeakPolarHBondContact O-CG1 3.49Å; I11-I15 PolarHBondContact O-N 2.9Å; K12-I15 PolarHBondContact O-N 3.39Å; K13-I15 PolarHBondContact O-N 2.9Å; I15-K19 HydrophobicContact CG2-CD 4.09Å; I15-K19 WeakPolarHBondContact O-CB 3.24Å; I15-K19 VanDerWaalsContact O-CG 3.26Å; I15-K19 WeakPolarHBondContact O-CG 3.27Å; I15-K19 PolarHBondContact O-N 2.95Å; I15-F29 HydrophobicContact CG2-CZ 4.48Å; I15-H32 HydrophobicContact CD1-CB 4.47Å; I15-L41 HydrophobicContact CD1-CD2 4.46Å; I15-L41 HydrophobicContact CG1-CD2 3.64Å |
| 16 | C | 88.8 | Confident | 83.9 | Confident | 78 Ų | 78 | 72.9 Ų | 72.9 | 53% | 0.527 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.4 | -45.6 | 179.4 | -74.3 | 0 | 0 | 0 | 0 | 111.8 | K12 K13 E14 K19 M20 | K12-C16 WeakPolarHBondContact O-CB 3.34Å; K12-C16 PolarHBondContact O-N 3.26Å; K12-C16 PolarHBondContact O-SG 3.13Å; K13-C16 WeakPolarHBondContact O-CB 3.5Å; K13-C16 PolarHBondContact O-N 3.31Å; K13-C16 VanDerWaalsContact O-N 3.12Å; E14-C16 VanDerWaalsContact C-N 3.34Å; E14-C16 PolarHBondContact O-N 2.86Å; C16-K19 PolarHBondContact O-N 3.31Å; C16-M20 WeakPolarHBondContact O-CG 3.23Å |
| 17 | I | 89.9 | Confident | 86.3 | Confident | 45 Ų | 45 | 66 Ų | 66 | 23% | 0.231 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.7 | -56.8 | 177.1 | -70.7 | 165.1 | 0 | 0 | 0 | 108.9 | K13 E14 K19 M20 L21 I85 F108 | K13-I17 WeakPolarHBondContact O-CB 3.46Å; K13-I17 WeakPolarHBondContact O-CG1 3.44Å; K13-I17 PolarHBondContact O-N 3.39Å; E14-I17 PolarHBondContact O-N 2.82Å; I17-K19 PolarHBondContact O-N 3.48Å; I17-K19 VanDerWaalsContact O-N 3.13Å; I17-M20 WeakPolarHBondContact O-CB 3.49Å; I17-M20 PolarHBondContact O-N 3.02Å; I17-L21 HydrophobicContact CG2-CD1 4.02Å; I17-L21 HydrophobicContact CG2-CG 4.36Å; I17-L21 WeakPolarHBondContact O-CG 3.37Å; I17-L21 PolarHBondContact O-N 3.45Å; I17-I85 HydrophobicContact CG2-CD1 4.05Å; I17-I85 HydrophobicContact CG2-CG2 4.45Å; I17-F108 HydrophobicContact CG2-CB 4.02Å; I17-F108 HydrophobicContact CG2-CD1 4.02Å; I17-F108 HydrophobicContact CG2-CG 4.08Å |
| 18 | N | 91.6 | Very high | 88.3 | Confident | 6 Ų | 6 | 69.2 Ų | 69.2 | 3% | 0.032 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -55.1 | -35.5 | -177.8 | -85.7 | -81.8 | 0 | 0 | 0 | 113.4 | E14 M20 L21 F29 | E14-N18 WeakPolarHBondContact CG-ND2 3.45Å; E14-N18 VanDerWaalsContact O-CB 3.3Å; E14-N18 WeakPolarHBondContact O-CB 3.26Å; E14-N18 PolarHBondContact O-N 3.44Å; E14-N18 PolarHBondContact O-ND2 3.12Å; N18-M20 PolarHBondContact O-N 3.06Å; N18-L21 PolarHBondContact O-N 2.96Å; N18-F29 HydrophobicContact CB-CB 3.91Å; N18-F29 HydrophobicContact CB-CD1 4.44Å; N18-F29 HydrophobicContact CB-CD2 3.75Å; N18-F29 HydrophobicContact CB-CE2 4.37Å; N18-F29 HydrophobicContact CB-CG 3.78Å; N18-F29 WeakPolarHBondContact O-CB 3.45Å |
| 19 | K | 91.3 | Very high | 89.9 | Confident | 119 Ų | 119 | 66 Ų | 66 | 52% | 0.517 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.5 | -26.2 | 175.3 | -80.6 | 175.5 | -179.6 | 177.5 | 0 | 114.2 | I15 C16 I17 F29 H32 | I15-K19 HydrophobicContact CG2-CD 4.09Å; I15-K19 WeakPolarHBondContact O-CB 3.24Å; I15-K19 VanDerWaalsContact O-CG 3.26Å; I15-K19 WeakPolarHBondContact O-CG 3.27Å; I15-K19 PolarHBondContact O-N 2.95Å; C16-K19 PolarHBondContact O-N 3.31Å; I17-K19 PolarHBondContact O-N 3.48Å; I17-K19 VanDerWaalsContact O-N 3.13Å; K19-F29 HydrophobicContact CD-CE1 4.45Å; K19-F29 HydrophobicContact CG-CD1 3.93Å; K19-F29 HydrophobicContact CG-CE1 3.47Å; K19-F29 VanDerWaalsContact CG-CE1 3.47Å; K19-F29 HydrophobicContact CG-CZ 4.33Å; K19-H32 PolarHBondContact NZ-NE2 2.95Å |
| 20 | M | 91.3 | Very high | 91.2 | Very high | 121 Ų | 121 | 67 Ų | 67 | 60% | 0.596 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -87.3 | -16 | -179 | -62.8 | 174.9 | 63.4 | 0 | 0 | 112.4 | C16 I17 N18 Y79 | C16-M20 WeakPolarHBondContact O-CG 3.23Å; I17-M20 WeakPolarHBondContact O-CB 3.49Å; I17-M20 PolarHBondContact O-N 3.02Å; N18-M20 PolarHBondContact O-N 3.06Å; M20-Y79 PolarHBondContact O-OH 3.44Å |
| 21 | L | 95 | Very high | 92.3 | Very high | 12 Ų | 12 | 65.2 Ų | 65.2 | 6% | 0.063 | 31% | 0.314 | C | S | . | . | trans | -87 | 129.8 | -172.5 | -54.3 | -176.3 | 0 | 0 | 0 | 111.4 | I17 N18 V26 Y79 L80 I83 I85 F108 | I17-L21 HydrophobicContact CG2-CD1 4.02Å; I17-L21 HydrophobicContact CG2-CG 4.36Å; I17-L21 WeakPolarHBondContact O-CG 3.37Å; I17-L21 PolarHBondContact O-N 3.45Å; N18-L21 PolarHBondContact O-N 2.96Å; L21-V26 HydrophobicContact CB-CG1 4.01Å; L21-V26 HydrophobicContact CD1-CG1 3.76Å; L21-V26 HydrophobicContact CG-CG1 4.44Å; L21-Y79 WeakPolarHBondContact CA-OH 3.41Å; L21-Y79 HydrophobicContact CD2-CE1 4.15Å; L21-L80 HydrophobicContact CD1-CD2 4.16Å; L21-L80 HydrophobicContact CD2-CD2 3.55Å; L21-L80 HydrophobicContact CG-CD2 4.48Å; L21-I83 HydrophobicContact CD2-CD1 3.6Å; L21-I85 HydrophobicContact CD2-CD1 3.81Å; L21-F108 HydrophobicContact CD1-CD1 4.07Å; L21-F108 HydrophobicContact CD1-CD2 3.88Å; L21-F108 HydrophobicContact CD1-CE1 3.67Å; L21-F108 HydrophobicContact CD1-CE2 3.47Å; L21-F108 VanDerWaalsContact CD1-CE2 3.47Å; L21-F108 HydrophobicContact CD1-CG 4.17Å; L21-F108 HydrophobicContact CD1-CZ 3.37Å | ||
| 22 | N | 96.2 | Very high | 92.9 | Very high | 123 Ų | 123 | 65.4 Ų | 65.4 | 66% | 0.658 | 31% | 0.313 | S | S | * | . | trans | -154.1 | 93.8 | 172.6 | -177 | 37.9 | 0 | 0 | 0 | 109.4 | Y79 | N22-Y79 PolarHBondContact N-OH 3.48Š| ||
| 23 | H | 98.4 | Very high | 93.5 | Very high | 46 Ų | 46 | 65.6 Ų | 65.6 | 21% | 0.213 | 31% | 0.31 | C | S | . | . | trans | -152.2 | 149.9 | 179.7 | -174.7 | -92.6 | 0 | 0 | 0 | 109.6 | N25 V26 Y79 | H23-N25 VanDerWaalsContact C-N 3.28Å; H23-N25 PolarHBondContact CE1-OD1 2.9Å; H23-N25 PolarHBondContact ND1-N 3.45Å; H23-N25 PolarHBondContact O-N 2.87Å; H23-V26 HydrophobicContact CB-CB 4.22Å; H23-V26 HydrophobicContact CB-CG2 4Å; H23-V26 PolarHBondContact O-N 3.37Å; H23-Y79 HydrophobicContact CB-CD1 3.45Å; H23-Y79 VanDerWaalsContact CB-CD1 3.45Å; H23-Y79 HydrophobicContact CB-CD2 4.12Å; H23-Y79 HydrophobicContact CB-CE1 3.67Å; H23-Y79 HydrophobicContact CB-CE2 4.32Å; H23-Y79 HydrophobicContact CB-CG 3.69Å; H23-Y79 AromaticContact CD2-CD2 3.89Å; H23-Y79 AromaticContact CD2-CG 3.63Å; H23-Y79 AromaticContact CG-CD1 3.91Å; H23-Y79 AromaticContact CG-CG 3.74Å | ||
| 24 | E | 98.1 | Very high | 93.8 | Very high | 143 Ų | 143 | 67.4 Ų | 67.4 | 67% | 0.668 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -34.5 | -176.1 | 67.2 | -174.8 | 133 | 0 | 0 | 113 | K104 | E24-K104 WeakPolarHBondContact O-CD 3.4Å; E24-K104 VanDerWaalsContact O-CE 3.23Å; E24-K104 WeakPolarHBondContact O-CE 3.34Å; E24-K104 PolarHBondContact O-NZ 3.33Å |
| 25 | N | 98.6 | Very high | 94.2 | Very high | 5 Ų | 5 | 70.3 Ų | 70.3 | 3% | 0.027 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 22.1 | 177.9 | -53.7 | 115.5 | 0 | 0 | 0 | 114.8 | H23 Q72 L103 I105 | H23-N25 VanDerWaalsContact C-N 3.28Å; H23-N25 PolarHBondContact CE1-OD1 2.9Å; H23-N25 PolarHBondContact ND1-N 3.45Å; H23-N25 PolarHBondContact O-N 2.87Å; N25-Q72 VanDerWaalsContact CB-O 3.32Å; N25-Q72 WeakPolarHBondContact CB-O 3.39Å; N25-Q72 VanDerWaalsContact CG-O 3.31Å; N25-Q72 WeakPolarHBondContact ND2-CB 3.47Å; N25-Q72 PolarHBondContact OD1-O 3.38Å; N25-L103 VanDerWaalsContact CA-O 3.24Å; N25-L103 WeakPolarHBondContact CA-O 3.42Å; N25-L103 HydrophobicContact CB-CD2 4.49Å; N25-L103 WeakPolarHBondContact CB-O 3.31Å; N25-L103 PolarHBondContact ND2-O 2.94Å; N25-I105 WeakPolarHBondContact O-CG1 3.48Å; N25-I105 PolarHBondContact O-N 3.16Å |
| 26 | V | 98.1 | Very high | 94.3 | Very high | 2 Ų | 2 | 72.4 Ų | 72.4 | 1% | 0.012 | 35% | 0.352 | C | S | . | . | B | Isolated β-bridge | trans | -127.8 | 136.3 | 173.5 | 176.5 | 0 | 0 | 0 | 0 | 107.9 | L21 H23 K28 Y79 L80 I105 F108 | L21-V26 HydrophobicContact CB-CG1 4.01Å; L21-V26 HydrophobicContact CD1-CG1 3.76Å; L21-V26 HydrophobicContact CG-CG1 4.44Å; H23-V26 HydrophobicContact CB-CB 4.22Å; H23-V26 HydrophobicContact CB-CG2 4Å; H23-V26 PolarHBondContact O-N 3.37Å; V26-K28 PolarHBondContact O-N 3.3Å; V26-Y79 HydrophobicContact CG2-CD1 4.21Å; V26-L80 HydrophobicContact CG2-CD2 4.45Å; V26-L80 HydrophobicContact CG2-CG 4.49Å; V26-I105 HydrophobicContact CG2-CB 4.44Å; V26-F108 HydrophobicContact CG1-CE2 3.95Å; V26-F108 HydrophobicContact CG1-CZ 3.76Å |
| 27 | V | 97.4 | Very high | 94.1 | Very high | 7 Ų | 7 | 76.1 Ų | 76.1 | 4% | 0.042 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -54.6 | 123.7 | 177.7 | 168.2 | 0 | 0 | 0 | 0 | 109.7 | F29 L43 E44 L96 K104 I105 | V27-F29 PolarHBondContact O-N 2.85Å; V27-L43 HydrophobicContact CG1-CB 3.88Å; V27-L43 HydrophobicContact CG1-CD1 4.48Å; V27-L43 HydrophobicContact CG1-CD2 4.35Å; V27-L43 HydrophobicContact CG1-CG 4.46Å; V27-E44 HydrophobicContact CG1-CB 4.09Å; V27-L96 HydrophobicContact CG2-CD1 4.2Å; V27-K104 HydrophobicContact CG2-CB 3.78Å; V27-I105 WeakPolarHBondContact CG2-O 3.41Å; V27-I105 PolarHBondContact N-O 2.93Å |
| 28 | K | 96.8 | Very high | 93.9 | Very high | 103 Ų | 103 | 78.5 Ų | 78.5 | 45% | 0.448 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -71.9 | 131.9 | -180 | -171.8 | 170.8 | 179.3 | 175.3 | 0 | 111.5 | V26 Y30 L43 E44 | V26-K28 PolarHBondContact O-N 3.3Å; K28-Y30 HydrophobicContact CB-CE1 4.45Å; K28-Y30 HydrophobicContact CD-CD1 4.38Å; K28-Y30 HydrophobicContact CD-CE1 3.69Å; K28-Y30 HydrophobicContact CG-CD1 4.31Å; K28-Y30 HydrophobicContact CG-CE1 3.94Å; K28-L43 CarbonylContact O-C 3.23Å; K28-L43 WeakPolarHBondContact O-CA 3.38Å; K28-E44 HydrophobicContact CB-CB 3.99Å; K28-E44 PolarHBondContact N-OE2 2.95Å; K28-E44 PolarHBondContact O-N 2.91Å |
| 29 | F | 95.8 | Very high | 93.7 | Very high | 30 Ų | 30 | 81.1 Ų | 81.1 | 13% | 0.132 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 121.4 | 171.3 | 178.7 | -104.7 | 0 | 0 | 0 | 110.8 | I15 N18 K19 V27 G31 H32 L41 L43 | I15-F29 HydrophobicContact CG2-CZ 4.48Å; N18-F29 HydrophobicContact CB-CB 3.91Å; N18-F29 HydrophobicContact CB-CD1 4.44Å; N18-F29 HydrophobicContact CB-CD2 3.75Å; N18-F29 HydrophobicContact CB-CE2 4.37Å; N18-F29 HydrophobicContact CB-CG 3.78Å; N18-F29 WeakPolarHBondContact O-CB 3.45Å; K19-F29 HydrophobicContact CD-CE1 4.45Å; K19-F29 HydrophobicContact CG-CD1 3.93Å; K19-F29 HydrophobicContact CG-CE1 3.47Å; K19-F29 VanDerWaalsContact CG-CE1 3.47Å; K19-F29 HydrophobicContact CG-CZ 4.33Å; V27-F29 PolarHBondContact O-N 2.85Å; F29-G31 VanDerWaalsContact CE1-CA 3.49Å; F29-G31 WeakPolarHBondContact CE2-O 3.46Å; F29-G31 VanDerWaalsContact CZ-CA 3.43Å; F29-G31 VanDerWaalsContact CZ-O 3.26Å; F29-G31 WeakPolarHBondContact CZ-O 3.24Å; F29-H32 HydrophobicContact CE2-CB 4.34Å; F29-H32 HydrophobicContact CZ-CB 3.97Å; F29-H32 AromaticContact CZ-CD2 3.95Å; F29-L41 HydrophobicContact CE2-CD2 3.73Å; F29-L43 HydrophobicContact CB-CD2 4.34Å; F29-L43 HydrophobicContact CD2-CD2 3.71Å |
| 30 | Y | 96.3 | Very high | 93.7 | Very high | 140 Ų | 140 | 80 Ų | 80 | 55% | 0.549 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | -25.8 | 177.5 | -61.6 | -54 | 0 | 0 | 0 | 113.1 | K28 F42 L43 E44 | K28-Y30 HydrophobicContact CB-CE1 4.45Å; K28-Y30 HydrophobicContact CD-CD1 4.38Å; K28-Y30 HydrophobicContact CD-CE1 3.69Å; K28-Y30 HydrophobicContact CG-CD1 4.31Å; K28-Y30 HydrophobicContact CG-CE1 3.94Å; Y30-F42 WeakPolarHBondContact CB-O 3.45Å; Y30-F42 PolarHBondContact N-O 3.46Å; Y30-L43 WeakPolarHBondContact CE2-O 3.3Å; Y30-E44 HydrophobicContact CE2-CB 4.38Å |
| 31 | G | 94.1 | Very high | 93.7 | Very high | 17 Ų | 17 | 77 Ų | 77 | 18% | 0.175 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 154.3 | -176 | -179 | 0 | 0 | 0 | 0 | 0 | 112.7 | F29 F42 | F29-G31 VanDerWaalsContact CE1-CA 3.49Å; F29-G31 WeakPolarHBondContact CE2-O 3.46Å; F29-G31 VanDerWaalsContact CZ-CA 3.43Å; F29-G31 VanDerWaalsContact CZ-O 3.26Å; F29-G31 WeakPolarHBondContact CZ-O 3.24Å; G31-F42 PolarHBondContact N-O 3.28Å; G31-F42 PolarHBondContact O-N 2.85Å |
| 32 | H | 93.9 | Very high | 93.7 | Very high | 75 Ų | 75 | 81.3 Ų | 81.3 | 35% | 0.347 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 155.2 | 174.5 | 70.7 | 101.9 | 0 | 0 | 0 | 110.8 | I15 K19 F29 Y40 L41 | I15-H32 HydrophobicContact CD1-CB 4.47Å; K19-H32 PolarHBondContact NZ-NE2 2.95Å; F29-H32 HydrophobicContact CE2-CB 4.34Å; F29-H32 HydrophobicContact CZ-CB 3.97Å; F29-H32 AromaticContact CZ-CD2 3.95Å; H32-Y40 CarbonylContact C-O 3.52Å; H32-Y40 WeakPolarHBondContact CA-O 3.26Å; H32-Y40 VanDerWaalsContact CB-O 3.26Å; H32-Y40 WeakPolarHBondContact CB-O 3.07Å; H32-L41 HydrophobicContact CB-CD2 4.24Å |
| 33 | R | 93.1 | Very high | 93.6 | Very high | 137 Ų | 137 | 78.9 Ų | 78.9 | 52% | 0.517 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 144.9 | 172.6 | 180 | 178.3 | 177.9 | -141.4 | -11.3 | 109.3 | E35 Y40 F42 | R33-E35 IonicContact CZ-OE2 2.72Å; R33-E35 IonicContact NH1-OE2 3.36Å; R33-E35 IonicContact NH2-OE1 3.68Å; R33-E35 IonicContact NH2-OE2 3.68Å; R33-E35 PolarHBondContact NH2-OE2 3.35Å; R33-Y40 PolarHBondContact N-O 3.27Å; R33-Y40 PolarHBondContact O-N 3.42Å; R33-F42 HydrophobicContact CB-CE2 3.85Å; R33-F42 HydrophobicContact CB-CZ 4.2Å |
| 34 | R | 91.6 | Very high | 93.6 | Very high | 156 Ų | 156 | 78.4 Ų | 78.4 | 59% | 0.589 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 132.1 | 171.3 | -175 | -179.7 | -174.6 | 164.4 | -0.3 | 109.9 | G36 I38 Q39 | R34-G36 PolarHBondContact NE-O 2.95Å; R34-I38 WeakPolarHBondContact CA-O 3.07Å; R34-Q39 VanDerWaalsContact CG-NE2 3.34Å |
| 35 | E | 93.4 | Very high | 93.5 | Very high | 98 Ų | 98 | 80.6 Ų | 80.6 | 46% | 0.458 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 104.3 | 171.7 | -168 | 162.6 | -169.5 | 0 | 0 | 109 | R33 N37 I38 Y40 | R33-E35 IonicContact CZ-OE2 2.72Å; R33-E35 IonicContact NH1-OE2 3.36Å; R33-E35 IonicContact NH2-OE1 3.68Å; R33-E35 IonicContact NH2-OE2 3.68Å; R33-E35 PolarHBondContact NH2-OE2 3.35Å; E35-N37 PolarHBondContact O-N 3.33Å; E35-I38 PolarHBondContact N-O 2.87Å; E35-I38 PolarHBondContact O-N 3.05Å; E35-Y40 HydrophobicContact CB-CE2 3.92Å |
| 36 | G | 89.9 | Confident | 93.5 | Very high | 58 Ų | 58 | 81 Ų | 81 | 60% | 0.598 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | -112.5 | -170.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | R34 | R34-G36 PolarHBondContact NE-O 2.95Š|
| 37 | N | 85.3 | Confident | 93.4 | Very high | 156 Ų | 156 | 83.7 Ų | 83.7 | 83% | 0.834 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | -0.2 | 179.3 | -68.3 | -21.3 | 0 | 0 | 0 | 113.7 | E35 | E35-N37 PolarHBondContact O-N 3.33Š|
| 38 | I | 85.9 | Confident | 93.4 | Very high | 94 Ų | 94 | 84.4 Ų | 84.4 | 48% | 0.482 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 134.9 | 179.2 | -55.9 | 171.2 | 0 | 0 | 0 | 109.3 | R34 E35 Y40 | R34-I38 WeakPolarHBondContact CA-O 3.07Å; E35-I38 PolarHBondContact N-O 2.87Å; E35-I38 PolarHBondContact O-N 3.05Å; I38-Y40 HydrophobicContact CB-CE2 3.99Å; I38-Y40 HydrophobicContact CG2-CD2 4.08Å; I38-Y40 HydrophobicContact CG2-CE1 4.06Å; I38-Y40 HydrophobicContact CG2-CE2 3.5Å; I38-Y40 VanDerWaalsContact CG2-CE2 3.5Å; I38-Y40 VanDerWaalsContact CG2-CZ 3.49Å |
| 39 | Q | 87.5 | Confident | 93.3 | Very high | 62 Ų | 62 | 81 Ų | 81 | 29% | 0.29 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 129 | 171.8 | -62.6 | -68.5 | -16.3 | 0 | 0 | 108.6 | I11 R34 | I11-Q39 HydrophobicContact CG2-CB 4.19Å; I11-Q39 HydrophobicContact CG2-CG 4.02Å; R34-Q39 VanDerWaalsContact CG-NE2 3.34Å |
| 40 | Y | 90.9 | Very high | 93.4 | Very high | 96 Ų | 96 | 83.2 Ų | 83.2 | 38% | 0.376 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 126.3 | 175 | -62 | -88.6 | 0 | 0 | 0 | 108.5 | H32 R33 E35 I38 | H32-Y40 CarbonylContact C-O 3.52Å; H32-Y40 WeakPolarHBondContact CA-O 3.26Å; H32-Y40 VanDerWaalsContact CB-O 3.26Å; H32-Y40 WeakPolarHBondContact CB-O 3.07Å; R33-Y40 PolarHBondContact N-O 3.27Å; R33-Y40 PolarHBondContact O-N 3.42Å; E35-Y40 HydrophobicContact CB-CE2 3.92Å; I38-Y40 HydrophobicContact CB-CE2 3.99Å; I38-Y40 HydrophobicContact CG2-CD2 4.08Å; I38-Y40 HydrophobicContact CG2-CE1 4.06Å; I38-Y40 HydrophobicContact CG2-CE2 3.5Å; I38-Y40 VanDerWaalsContact CG2-CE2 3.5Å; I38-Y40 VanDerWaalsContact CG2-CZ 3.49Å |
| 41 | L | 91.4 | Very high | 93.3 | Very high | 56 Ų | 56 | 77.2 Ų | 77.2 | 29% | 0.293 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 130.4 | 172.3 | -65.5 | 157.3 | 0 | 0 | 0 | 107.6 | I15 F29 H32 L43 | I15-L41 HydrophobicContact CD1-CD2 4.46Å; I15-L41 HydrophobicContact CG1-CD2 3.64Å; F29-L41 HydrophobicContact CE2-CD2 3.73Å; H32-L41 HydrophobicContact CB-CD2 4.24Å; L41-L43 HydrophobicContact CB-CG 4.38Å |
| 42 | F | 94.9 | Very high | 93.3 | Very high | 103 Ų | 103 | 81.3 Ų | 81.3 | 45% | 0.452 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 111.7 | 174.3 | -56.4 | -74.4 | 0 | 0 | 0 | 107.7 | Y30 G31 R33 | Y30-F42 WeakPolarHBondContact CB-O 3.45Å; Y30-F42 PolarHBondContact N-O 3.46Å; G31-F42 PolarHBondContact N-O 3.28Å; G31-F42 PolarHBondContact O-N 2.85Å; R33-F42 HydrophobicContact CB-CE2 3.85Å; R33-F42 HydrophobicContact CB-CZ 4.2Å |
| 43 | L | 95.3 | Very high | 93.3 | Very high | 72 Ų | 72 | 83.4 Ų | 83.4 | 38% | 0.377 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 161.4 | -174.8 | -59.4 | 177.6 | 0 | 0 | 0 | 110.8 | V27 K28 F29 Y30 L41 Y45 | V27-L43 HydrophobicContact CG1-CB 3.88Å; V27-L43 HydrophobicContact CG1-CD1 4.48Å; V27-L43 HydrophobicContact CG1-CD2 4.35Å; V27-L43 HydrophobicContact CG1-CG 4.46Å; K28-L43 CarbonylContact O-C 3.23Å; K28-L43 WeakPolarHBondContact O-CA 3.38Å; F29-L43 HydrophobicContact CB-CD2 4.34Å; F29-L43 HydrophobicContact CD2-CD2 3.71Å; Y30-L43 WeakPolarHBondContact CE2-O 3.3Å; L41-L43 HydrophobicContact CB-CG 4.38Å; L43-Y45 PolarHBondContact O-N 2.83Å |
| 44 | E | 96.7 | Very high | 93.2 | Very high | 37 Ų | 37 | 82 Ų | 82 | 17% | 0.173 | 41% | 0.412 | C | S | . | . | trans | -55.6 | 128 | 167.9 | -171.4 | 173.1 | -162.7 | 0 | 0 | 111 | V27 K28 Y30 C46 K104 | V27-E44 HydrophobicContact CG1-CB 4.09Å; K28-E44 HydrophobicContact CB-CB 3.99Å; K28-E44 PolarHBondContact N-OE2 2.95Å; K28-E44 PolarHBondContact O-N 2.91Å; Y30-E44 HydrophobicContact CE2-CB 4.38Å; E44-C46 PolarHBondContact O-N 3.48Å; E44-K104 VanDerWaalsContact CD-NZ 3.28Å; E44-K104 VanDerWaalsContact OE1-CE 3.31Å; E44-K104 WeakPolarHBondContact OE1-CE 3.35Å; E44-K104 IonicContact OE1-NZ 3.42Å; E44-K104 PolarHBondContact OE1-NZ 2.76Å; E44-K104 IonicContact OE2-NZ 3.9Å; E44-K104 PolarHBondContact OE2-NZ 2.72Å | ||
| 45 | Y | 97.1 | Very high | 93.3 | Very high | 188 Ų | 188 | 77.5 Ų | 77.5 | 74% | 0.737 | 40% | 0.399 | S | S | * | . | trans | -83.3 | 116.2 | 174.7 | 176.7 | -118.5 | 0 | 0 | 0 | 109.8 | L43 | L43-Y45 PolarHBondContact O-N 2.83Š| ||
| 46 | C | 97.6 | Very high | 93.3 | Very high | 13 Ų | 13 | 78 Ų | 78 | 9% | 0.088 | 40% | 0.401 | C | S | . | . | trans | -96.9 | 95.1 | 178.4 | -61.4 | 0 | 0 | 0 | 0 | 108.9 | E44 G48 G49 L96 L97 | E44-C46 PolarHBondContact O-N 3.48Å; C46-G48 VanDerWaalsContact C-N 3.26Å; C46-G48 PolarHBondContact O-N 2.89Å; C46-G49 PolarHBondContact O-N 3.4Å; C46-L96 HydrophobicContact CB-CB 3.57Å; C46-L96 HydrophobicContact CB-CD1 4.04Å; C46-L96 HydrophobicContact CB-CG 4.43Å; C46-L97 CarbonylContact C-O 3.46Å; C46-L97 WeakPolarHBondContact CA-O 3.13Å; C46-L97 VanDerWaalsContact CB-O 3.23Å; C46-L97 WeakPolarHBondContact CB-O 3.49Å | ||
| 47 | S | 97.3 | Very high | 93.4 | Very high | 59 Ų | 59 | 80.2 Ų | 80.2 | 41% | 0.413 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -16.4 | -172.7 | 59.7 | 0 | 0 | 0 | 0 | 114.2 | G49 L97 E99 | S47-G49 PolarHBondContact O-N 2.95Å; S47-L97 PolarHBondContact N-O 2.84Å; S47-E99 WeakPolarHBondContact OG-CA 3.39Å; S47-E99 WeakPolarHBondContact OG-CB 3.32Å |
| 48 | G | 96.2 | Very high | 93.7 | Very high | 23 Ų | 23 | 81.4 Ų | 81.4 | 24% | 0.237 | 41% | 0.411 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -3.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | C46 L97 | C46-G48 VanDerWaalsContact C-N 3.26Å; C46-G48 PolarHBondContact O-N 2.89Å; G48-L97 VanDerWaalsContact CA-O 3.29Å; G48-L97 WeakPolarHBondContact CA-O 3.39Å; G48-L97 PolarHBondContact N-O 3.05Å |
| 49 | G | 96.1 | Very high | 94.1 | Very high | 32 Ų | 32 | 82.8 Ų | 82.8 | 33% | 0.33 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 77.6 | -157.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | C46 S47 L96 L97 | C46-G49 PolarHBondContact O-N 3.4Å; S47-G49 PolarHBondContact O-N 2.95Å; G49-L96 CarbonylContact O-C 3.16Å; G49-L96 WeakPolarHBondContact O-CA 3.48Å; G49-L97 PolarHBondContact O-N 3.42Å |
| 50 | E | 96.6 | Very high | 94.5 | Very high | 76 Ų | 76 | 81 Ų | 81 | 36% | 0.355 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 143.8 | 177.1 | -63.4 | 175.4 | -153.8 | 0 | 0 | 110.4 | F52 D53 L96 | E50-F52 HydrophobicContact CB-CB 4.23Å; E50-F52 PolarHBondContact O-N 3.49Å; E50-D53 PolarHBondContact O-N 3.04Å; E50-L96 HydrophobicContact CG-CD2 3.92Å |
| 51 | L | 94.7 | Very high | 94.6 | Very high | 13 Ų | 13 | 78.7 Ų | 78.7 | 7% | 0.068 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -62.9 | -29.9 | 170.9 | -179.3 | 65 | 0 | 0 | 0 | 110.9 | D53 R54 M61 F69 L95 L97 L103 | L51-D53 PolarHBondContact O-N 2.85Å; L51-R54 HydrophobicContact CD1-CB 4.29Å; L51-R54 WeakPolarHBondContact O-CB 3.26Å; L51-R54 PolarHBondContact O-N 3.46Å; L51-M61 HydrophobicContact CD1-CE 3.92Å; L51-F69 HydrophobicContact CD1-CD1 4.23Å; L51-F69 HydrophobicContact CD1-CD2 3.65Å; L51-F69 HydrophobicContact CD1-CE1 4.32Å; L51-F69 HydrophobicContact CD1-CE2 3.75Å; L51-F69 HydrophobicContact CD1-CG 3.91Å; L51-F69 HydrophobicContact CD1-CZ 4.09Å; L51-F69 HydrophobicContact CD2-CB 4.47Å; L51-L95 HydrophobicContact CB-CB 3.98Å; L51-L95 WeakPolarHBondContact CB-O 3.45Å; L51-L95 HydrophobicContact CD2-CB 4.17Å; L51-L95 HydrophobicContact CD2-CD1 3.95Å; L51-L95 PolarHBondContact N-O 2.99Å; L51-L97 HydrophobicContact CD1-CD1 4.37Å; L51-L97 HydrophobicContact CD1-CD2 4.36Å; L51-L103 HydrophobicContact CD2-CD1 4.05Å |
| 52 | F | 94.1 | Very high | 94.9 | Very high | 103 Ų | 103 | 79.9 Ų | 79.9 | 45% | 0.452 | 42% | 0.421 | S | S | . | . | G | 310 helix | trans | -50.2 | -44.4 | 175.4 | -176.6 | -102 | 0 | 0 | 0 | 112.3 | E50 R54 I55 P92 E93 | E50-F52 HydrophobicContact CB-CB 4.23Å; E50-F52 PolarHBondContact O-N 3.49Å; F52-R54 PolarHBondContact O-N 3.36Å; F52-R54 VanDerWaalsContact O-N 3.15Å; F52-I55 PolarHBondContact O-N 3.5Å; F52-P92 HydrophobicContact CB-CB 3.78Å; F52-P92 HydrophobicContact CD2-CB 3.95Å; F52-P92 HydrophobicContact CG-CB 4.38Å; F52-P92 PolarHBondContact N-O 3.38Å; F52-E93 HydrophobicContact CB-CG 4.4Å; F52-E93 HydrophobicContact CD2-CG 4.43Å; F52-E93 HydrophobicContact CG-CG 4.33Å |
| 53 | D | 92.9 | Very high | 95 | Very high | 119 Ų | 119 | 82.5 Ų | 82.5 | 64% | 0.636 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -67.4 | -15.2 | -179.8 | -65.3 | -34.7 | 0 | 0 | 0 | 113.5 | E50 L51 | E50-D53 PolarHBondContact O-N 3.04Å; L51-D53 PolarHBondContact O-N 2.85Å |
| 54 | R | 91.4 | Very high | 95.1 | Very high | 107 Ų | 107 | 83.3 Ų | 83.3 | 40% | 0.404 | 45% | 0.445 | S | S | . | . | G | 310 helix | trans | -88 | -11.2 | 175.4 | -58.8 | -59.1 | -170.3 | 78.3 | 12 | 113.3 | L51 F52 M61 L97 D101 | L51-R54 HydrophobicContact CD1-CB 4.29Å; L51-R54 WeakPolarHBondContact O-CB 3.26Å; L51-R54 PolarHBondContact O-N 3.46Å; F52-R54 PolarHBondContact O-N 3.36Å; F52-R54 VanDerWaalsContact O-N 3.15Å; R54-M61 HydrophobicContact CB-CE 4.22Å; R54-L97 HydrophobicContact CG-CD1 3.66Å; R54-D101 IonicContact CZ-OD1 3.13Å; R54-D101 IonicContact NH1-OD1 2.72Å; R54-D101 PolarHBondContact NH1-OD1 3.4Å; R54-D101 IonicContact NH1-OD2 3.59Å; R54-D101 IonicContact NH2-OD1 2.76Å; R54-D101 PolarHBondContact NH2-OD1 2.9Å |
| 55 | I | 93.4 | Very high | 95 | Very high | 62 Ų | 62 | 84.5 Ų | 84.5 | 32% | 0.318 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -93.7 | 110.9 | -178.5 | -58.5 | 169.2 | 0 | 0 | 0 | 107.7 | F52 M61 P92 | F52-I55 PolarHBondContact O-N 3.5Å; I55-M61 HydrophobicContact CD1-CE 4.45Å; I55-M61 HydrophobicContact CG1-CE 3.5Å; I55-P92 HydrophobicContact CD1-CB 3.99Å; I55-P92 HydrophobicContact CD1-CG 3.97Å |
| 56 | E | 93.4 | Very high | 95 | Very high | 110 Ų | 110 | 77.4 Ų | 77.4 | 51% | 0.514 | 43% | 0.432 | S | S | . | . | B | Isolated β-bridge | trans | -68.7 | 129.4 | 176.8 | -171.2 | 171.8 | -179.3 | 0 | 0 | 109.7 | D58 I59 G60 | E56-D58 PolarHBondContact O-N 3.2Å; E56-I59 HydrophobicContact CB-CB 4.04Å; E56-I59 HydrophobicContact CB-CG2 4.39Å; E56-I59 HydrophobicContact CG-CB 3.99Å; E56-I59 HydrophobicContact CG-CD1 3.95Å; E56-I59 HydrophobicContact CG-CG1 4.47Å; E56-I59 PolarHBondContact O-N 3.39Å; E56-I59 WeakPolarHBondContact OE1-CD1 3.45Å; E56-G60 WeakPolarHBondContact CB-O 3.47Å; E56-G60 PolarHBondContact N-O 2.72Å; E56-G60 PolarHBondContact O-N 2.88Å |
| 57 | P | 92.7 | Very high | 95 | Very high | 104 Ų | 104 | 82.2 Ų | 82.2 | 68% | 0.675 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 135.7 | 176.7 | -26 | 34.6 | 0 | 0 | 0 | 111.6 | I59 | P57-I59 PolarHBondContact O-N 2.8Š|
| 58 | D | 92.3 | Very high | 95 | Very high | 180 Ų | 180 | 83.6 Ų | 83.6 | 96% | 0.963 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.5 | -7.2 | -180 | -54.7 | -46.8 | 0 | 0 | 0 | 116.8 | E56 | E56-D58 PolarHBondContact O-N 3.2Š|
| 59 | I | 94.8 | Very high | 95.1 | Very high | 123 Ų | 123 | 83 Ų | 83 | 63% | 0.631 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.5 | -40.2 | -177.7 | -69 | 163.7 | 0 | 0 | 0 | 111.3 | E56 P57 | E56-I59 HydrophobicContact CB-CB 4.04Å; E56-I59 HydrophobicContact CB-CG2 4.39Å; E56-I59 HydrophobicContact CG-CB 3.99Å; E56-I59 HydrophobicContact CG-CD1 3.95Å; E56-I59 HydrophobicContact CG-CG1 4.47Å; E56-I59 PolarHBondContact O-N 3.39Å; E56-I59 WeakPolarHBondContact OE1-CD1 3.45Å; P57-I59 PolarHBondContact O-N 2.8Å |
| 60 | G | 93.9 | Very high | 95.2 | Very high | 26 Ų | 26 | 87.4 Ų | 87.4 | 27% | 0.268 | 45% | 0.451 | S | S | . | . | B | Isolated β-bridge | trans | 87.1 | -135.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | E56 | E56-G60 WeakPolarHBondContact CB-O 3.47Å; E56-G60 PolarHBondContact N-O 2.72Å; E56-G60 PolarHBondContact O-N 2.88Å |
| 61 | M | 94.4 | Very high | 95.3 | Very high | 46 Ų | 46 | 89.3 Ų | 89.3 | 23% | 0.227 | 46% | 0.459 | C | S | . | . | trans | -141.3 | 161.2 | 178.6 | 59 | 173.8 | 55 | 0 | 0 | 109.9 | L51 R54 I55 E63 D65 A66 F69 | L51-M61 HydrophobicContact CD1-CE 3.92Å; R54-M61 HydrophobicContact CB-CE 4.22Å; I55-M61 HydrophobicContact CD1-CE 4.45Å; I55-M61 HydrophobicContact CG1-CE 3.5Å; M61-E63 PolarHBondContact O-N 3.36Å; M61-D65 HydrophobicContact SD-CB 4.49Å; M61-A66 HydrophobicContact CG-CB 3.86Å; M61-A66 VanDerWaalsContact SD-CA 3.53Å; M61-A66 HydrophobicContact SD-CB 3.89Å; M61-F69 HydrophobicContact CE-CD2 4.13Å; M61-F69 HydrophobicContact CE-CE2 4.27Å; M61-F69 HydrophobicContact SD-CD2 3.79Å; M61-F69 HydrophobicContact SD-CE2 4.22Å | ||
| 62 | P | 96.4 | Very high | 95.5 | Very high | 81 Ų | 81 | 90.1 Ų | 90.1 | 53% | 0.526 | 46% | 0.463 | S | S | . | . | trans | -54.4 | 137.9 | 175.5 | -25.5 | 35.5 | 0 | 0 | 0 | 112 | P64 D65 A66 | P62-P64 VanDerWaalsContact C-CD 3.42Å; P62-P64 VanDerWaalsContact C-N 3.33Å; P62-D65 PolarHBondContact O-N 2.96Å; P62-A66 PolarHBondContact O-N 3.06Å | ||
| 63 | E | 97 | Very high | 95.7 | Very high | 159 Ų | 159 | 86.4 Ų | 86.4 | 74% | 0.743 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -53.3 | -40.6 | -177.9 | -174.2 | -179.7 | 168.5 | 0 | 0 | 113.9 | M61 D65 A66 Q67 | M61-E63 PolarHBondContact O-N 3.36Å; E63-D65 VanDerWaalsContact C-N 3.31Å; E63-D65 PolarHBondContact O-N 2.94Å; E63-A66 PolarHBondContact O-N 3.43Å; E63-Q67 VanDerWaalsContact O-CB 3.28Å; E63-Q67 WeakPolarHBondContact O-CB 3.3Å; E63-Q67 PolarHBondContact O-N 2.9Å |
| 64 | P | 97.4 | Very high | 96 | Very high | 89 Ų | 89 | 84.5 Ų | 84.5 | 58% | 0.578 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -61.6 | -36.9 | 176.5 | -24.6 | 36 | 0 | 0 | 0 | 113.6 | P62 R68 | P62-P64 VanDerWaalsContact C-CD 3.42Å; P62-P64 VanDerWaalsContact C-N 3.33Å; P64-R68 PolarHBondContact O-N 3.24Å |
| 65 | D | 95.9 | Very high | 96.3 | Very high | 62 Ų | 62 | 81.2 Ų | 81.2 | 33% | 0.332 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -73.7 | -44.7 | 179 | -64.2 | -36.3 | 0 | 0 | 0 | 110.4 | M61 P62 E63 Q67 R68 F69 | M61-D65 HydrophobicContact SD-CB 4.49Å; P62-D65 PolarHBondContact O-N 2.96Å; E63-D65 VanDerWaalsContact C-N 3.31Å; E63-D65 PolarHBondContact O-N 2.94Å; D65-Q67 VanDerWaalsContact C-N 3.28Å; D65-Q67 PolarHBondContact O-N 3.36Å; D65-R68 WeakPolarHBondContact O-CB 3.29Å; D65-R68 PolarHBondContact O-N 3.39Å; D65-R68 VanDerWaalsContact O-N 3.11Å; D65-F69 HydrophobicContact CB-CE2 4.25Å; D65-F69 WeakPolarHBondContact O-CD2 3.44Å; D65-F69 PolarHBondContact O-N 3.48Å |
| 66 | A | 96.4 | Very high | 96.6 | Very high | 38 Ų | 38 | 78.3 Ų | 78.3 | 31% | 0.314 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -55.1 | -46.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | M61 P62 E63 R68 F69 F70 | M61-A66 HydrophobicContact CG-CB 3.86Å; M61-A66 VanDerWaalsContact SD-CA 3.53Å; M61-A66 HydrophobicContact SD-CB 3.89Å; P62-A66 PolarHBondContact O-N 3.06Å; E63-A66 PolarHBondContact O-N 3.43Å; A66-R68 PolarHBondContact O-N 3.33Å; A66-F69 PolarHBondContact O-N 3.43Å; A66-F70 WeakPolarHBondContact O-CB 3.45Å; A66-F70 PolarHBondContact O-N 3.36Å |
| 67 | Q | 97.9 | Very high | 96.8 | Very high | 114 Ų | 114 | 73.7 Ų | 73.7 | 53% | 0.533 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.3 | -42.2 | 177.6 | -174.8 | -179.9 | 34.6 | 0 | 0 | 111.4 | E63 D65 F70 H71 | E63-Q67 VanDerWaalsContact O-CB 3.28Å; E63-Q67 WeakPolarHBondContact O-CB 3.3Å; E63-Q67 PolarHBondContact O-N 2.9Å; D65-Q67 VanDerWaalsContact C-N 3.28Å; D65-Q67 PolarHBondContact O-N 3.36Å; Q67-F70 PolarHBondContact O-N 2.89Å; Q67-H71 WeakPolarHBondContact CG-CE1 3.24Å; Q67-H71 PolarHBondContact O-N 3.32Å; Q67-H71 PolarHBondContact O-ND1 3.49Å |
| 68 | R | 97.9 | Very high | 97.1 | Very high | 89 Ų | 89 | 73.3 Ų | 73.3 | 34% | 0.336 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.7 | -50.7 | 177.7 | -170.9 | 178.6 | 102.2 | -148.4 | 4.8 | 111.6 | P64 D65 A66 F70 H71 Q72 D101 | P64-R68 PolarHBondContact O-N 3.24Å; D65-R68 WeakPolarHBondContact O-CB 3.29Å; D65-R68 PolarHBondContact O-N 3.39Å; D65-R68 VanDerWaalsContact O-N 3.11Å; A66-R68 PolarHBondContact O-N 3.33Å; R68-F70 VanDerWaalsContact C-N 3.34Å; R68-F70 PolarHBondContact O-N 2.86Å; R68-H71 PolarHBondContact O-N 3.19Å; R68-Q72 PolarHBondContact O-N 3.05Å; R68-D101 IonicContact CZ-OD2 3.03Å; R68-D101 IonicContact NH1-OD2 3.71Å; R68-D101 VanDerWaalsContact NH2-CB 3.31Å; R68-D101 VanDerWaalsContact NH2-CG 3.3Å; R68-D101 PolarHBondContact NH2-O 2.83Å; R68-D101 IonicContact NH2-OD2 2.8Å; R68-D101 PolarHBondContact NH2-OD2 3.06Å |
| 69 | F | 98 | Very high | 97.4 | Very high | 10 Ų | 10 | 67.2 Ų | 67.2 | 4% | 0.044 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.5 | -39.9 | 179 | -65.9 | -50.7 | 0 | 0 | 0 | 111.9 | L51 M61 D65 A66 H71 Q72 L73 L97 D101 L103 | L51-F69 HydrophobicContact CD1-CD1 4.23Å; L51-F69 HydrophobicContact CD1-CD2 3.65Å; L51-F69 HydrophobicContact CD1-CE1 4.32Å; L51-F69 HydrophobicContact CD1-CE2 3.75Å; L51-F69 HydrophobicContact CD1-CG 3.91Å; L51-F69 HydrophobicContact CD1-CZ 4.09Å; L51-F69 HydrophobicContact CD2-CB 4.47Å; M61-F69 HydrophobicContact CE-CD2 4.13Å; M61-F69 HydrophobicContact CE-CE2 4.27Å; M61-F69 HydrophobicContact SD-CD2 3.79Å; M61-F69 HydrophobicContact SD-CE2 4.22Å; D65-F69 HydrophobicContact CB-CE2 4.25Å; D65-F69 WeakPolarHBondContact O-CD2 3.44Å; D65-F69 PolarHBondContact O-N 3.48Å; A66-F69 PolarHBondContact O-N 3.43Å; F69-H71 PolarHBondContact O-N 3.21Å; F69-Q72 PolarHBondContact O-N 2.8Å; F69-L73 WeakPolarHBondContact O-CB 3.32Å; F69-L73 PolarHBondContact O-N 2.83Å; F69-L97 HydrophobicContact CD1-CD2 4.08Å; F69-L97 HydrophobicContact CE1-CD2 3.48Å; F69-L97 VanDerWaalsContact CE1-CD2 3.48Å; F69-L97 HydrophobicContact CZ-CD2 4.11Å; F69-D101 WeakPolarHBondContact CE1-O 3.33Å; F69-L103 HydrophobicContact CB-CD1 4.15Å; F69-L103 HydrophobicContact CD1-CB 4.21Å |
| 70 | F | 97.9 | Very high | 97.5 | Very high | 125 Ų | 125 | 61.4 Ų | 61.4 | 55% | 0.548 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.4 | -41 | 178.5 | -168.9 | -100.1 | 0 | 0 | 0 | 112.2 | A66 Q67 R68 Q72 L73 M74 | A66-F70 WeakPolarHBondContact O-CB 3.45Å; A66-F70 PolarHBondContact O-N 3.36Å; Q67-F70 PolarHBondContact O-N 2.89Å; R68-F70 VanDerWaalsContact C-N 3.34Å; R68-F70 PolarHBondContact O-N 2.86Å; F70-Q72 PolarHBondContact O-N 3.05Å; F70-L73 PolarHBondContact O-N 3.47Å; F70-M74 HydrophobicContact CD1-CG 4Å; F70-M74 HydrophobicContact CE1-CG 3.64Å; F70-M74 HydrophobicContact CE1-SD 4.31Å; F70-M74 HydrophobicContact CE2-CG 4.46Å; F70-M74 HydrophobicContact CE2-SD 4.47Å; F70-M74 HydrophobicContact CZ-CG 3.89Å; F70-M74 HydrophobicContact CZ-SD 3.98Å; F70-M74 WeakPolarHBondContact O-CB 3.39Å; F70-M74 VanDerWaalsContact O-CG 3.29Å; F70-M74 WeakPolarHBondContact O-CG 3.29Å; F70-M74 PolarHBondContact O-N 3.31Å |
| 71 | H | 98.6 | Very high | 97.7 | Very high | 116 Ų | 116 | 65.1 Ų | 65.1 | 54% | 0.537 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.3 | -43.4 | 174.1 | -74.5 | 118.5 | 0 | 0 | 0 | 112.4 | Q67 R68 F69 M74 A75 | Q67-H71 WeakPolarHBondContact CG-CE1 3.24Å; Q67-H71 PolarHBondContact O-N 3.32Å; Q67-H71 PolarHBondContact O-ND1 3.49Å; R68-H71 PolarHBondContact O-N 3.19Å; F69-H71 PolarHBondContact O-N 3.21Å; H71-M74 PolarHBondContact O-N 2.82Å; H71-A75 WeakPolarHBondContact O-CB 3.43Å; H71-A75 PolarHBondContact O-N 2.79Å |
| 72 | Q | 98.7 | Very high | 97.8 | Very high | 30 Ų | 30 | 66.2 Ų | 66.2 | 14% | 0.14 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.6 | -41.9 | 177.5 | -74.1 | -177.6 | -17.8 | 0 | 0 | 112.2 | N25 R68 F69 F70 A75 G76 N102 L103 | N25-Q72 VanDerWaalsContact CB-O 3.32Å; N25-Q72 WeakPolarHBondContact CB-O 3.39Å; N25-Q72 VanDerWaalsContact CG-O 3.31Å; N25-Q72 WeakPolarHBondContact ND2-CB 3.47Å; N25-Q72 PolarHBondContact OD1-O 3.38Å; R68-Q72 PolarHBondContact O-N 3.05Å; F69-Q72 PolarHBondContact O-N 2.8Å; F70-Q72 PolarHBondContact O-N 3.05Å; Q72-A75 PolarHBondContact O-N 2.96Å; Q72-G76 PolarHBondContact O-N 2.9Å; Q72-N102 PolarHBondContact NE2-OD1 2.9Å; Q72-L103 HydrophobicContact CB-CB 3.93Å |
| 73 | L | 98.6 | Very high | 97.8 | Very high | 25 Ų | 25 | 65.6 Ų | 65.6 | 13% | 0.131 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -57.8 | -49.9 | 172.7 | 174.4 | 58.8 | 0 | 0 | 0 | 110.5 | F69 F70 A75 G76 V77 I90 L95 L103 I105 | F69-L73 WeakPolarHBondContact O-CB 3.32Å; F69-L73 PolarHBondContact O-N 2.83Å; F70-L73 PolarHBondContact O-N 3.47Å; L73-A75 VanDerWaalsContact C-N 3.34Å; L73-A75 PolarHBondContact O-N 3.08Å; L73-G76 PolarHBondContact O-N 2.85Å; L73-V77 HydrophobicContact CD1-CG2 3.99Å; L73-V77 HydrophobicContact CG-CG2 4.41Å; L73-V77 VanDerWaalsContact O-CG2 3.3Å; L73-V77 WeakPolarHBondContact O-CG2 3.46Å; L73-V77 PolarHBondContact O-N 3.42Å; L73-I90 HydrophobicContact CD1-CG2 4.1Å; L73-I90 HydrophobicContact CD2-CG2 4.36Å; L73-L95 HydrophobicContact CD1-CD1 4.26Å; L73-L95 HydrophobicContact CD1-CD2 3.74Å; L73-L95 HydrophobicContact CD2-CD1 4.22Å; L73-L103 HydrophobicContact CB-CD1 3.99Å; L73-L103 HydrophobicContact CB-CD2 4.28Å; L73-I105 HydrophobicContact CD1-CD1 3.98Å; L73-I105 HydrophobicContact CD1-CG1 4.07Å |
| 74 | M | 98.6 | Very high | 97.6 | Very high | 78 Ų | 78 | 61.3 Ų | 61.3 | 38% | 0.384 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.6 | -37.2 | -179.7 | -70.7 | -52.5 | -58.3 | 0 | 0 | 112.5 | F70 H71 V77 V78 | F70-M74 HydrophobicContact CD1-CG 4Å; F70-M74 HydrophobicContact CE1-CG 3.64Å; F70-M74 HydrophobicContact CE1-SD 4.31Å; F70-M74 HydrophobicContact CE2-CG 4.46Å; F70-M74 HydrophobicContact CE2-SD 4.47Å; F70-M74 HydrophobicContact CZ-CG 3.89Å; F70-M74 HydrophobicContact CZ-SD 3.98Å; F70-M74 WeakPolarHBondContact O-CB 3.39Å; F70-M74 VanDerWaalsContact O-CG 3.29Å; F70-M74 WeakPolarHBondContact O-CG 3.29Å; F70-M74 PolarHBondContact O-N 3.31Å; H71-M74 PolarHBondContact O-N 2.82Å; M74-V77 PolarHBondContact O-N 2.99Å; M74-V78 WeakPolarHBondContact O-CB 3.38Å; M74-V78 VanDerWaalsContact O-CG2 3.23Å; M74-V78 WeakPolarHBondContact O-CG2 3.22Å; M74-V78 PolarHBondContact O-N 3.05Å |
| 75 | A | 98.8 | Very high | 97.4 | Very high | 39 Ų | 39 | 58.1 Ų | 58.1 | 32% | 0.322 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.6 | -48.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | H71 Q72 L73 V78 Y79 | H71-A75 WeakPolarHBondContact O-CB 3.43Å; H71-A75 PolarHBondContact O-N 2.79Å; Q72-A75 PolarHBondContact O-N 2.96Å; L73-A75 VanDerWaalsContact C-N 3.34Å; L73-A75 PolarHBondContact O-N 3.08Å; A75-V78 PolarHBondContact O-N 3.45Å; A75-Y79 PolarHBondContact O-N 3.39Å |
| 76 | G | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62 | -42.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q72 L73 Y79 L80 | Q72-G76 PolarHBondContact O-N 2.9Å; L73-G76 PolarHBondContact O-N 2.85Å; G76-Y79 WeakPolarHBondContact O-CB 3.28Å; G76-Y79 PolarHBondContact O-N 3.48Å; G76-L80 VanDerWaalsContact O-CG 3.31Å; G76-L80 WeakPolarHBondContact O-CG 3.18Å; G76-L80 PolarHBondContact O-N 2.87Å |
| 77 | V | 98.3 | Very high | 97.3 | Very high | 14 Ų | 14 | 57.8 Ų | 57.8 | 9% | 0.085 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.8 | -43.6 | 178.1 | 170.9 | 0 | 0 | 0 | 0 | 111.9 | L73 M74 Y79 L80 H81 I90 I105 | L73-V77 HydrophobicContact CD1-CG2 3.99Å; L73-V77 HydrophobicContact CG-CG2 4.41Å; L73-V77 VanDerWaalsContact O-CG2 3.3Å; L73-V77 WeakPolarHBondContact O-CG2 3.46Å; L73-V77 PolarHBondContact O-N 3.42Å; M74-V77 PolarHBondContact O-N 2.99Å; V77-Y79 VanDerWaalsContact C-N 3.28Å; V77-Y79 PolarHBondContact O-N 2.83Å; V77-L80 PolarHBondContact O-N 3.05Å; V77-H81 VanDerWaalsContact CG1-CE1 3.41Å; V77-H81 WeakPolarHBondContact CG1-CE1 3.23Å; V77-H81 WeakPolarHBondContact O-CB 3.36Å; V77-H81 VanDerWaalsContact O-CG 3.28Å; V77-H81 PolarHBondContact O-N 3.24Å; V77-I90 HydrophobicContact CG2-CD1 3.57Å; V77-I105 HydrophobicContact CG2-CD1 4.21Å |
| 78 | V | 98.6 | Very high | 97.1 | Very high | 96 Ų | 96 | 62.2 Ų | 62.2 | 58% | 0.582 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -59.3 | -43.1 | 175.3 | 166.6 | 0 | 0 | 0 | 0 | 110.4 | M74 A75 G82 | M74-V78 WeakPolarHBondContact O-CB 3.38Å; M74-V78 VanDerWaalsContact O-CG2 3.23Å; M74-V78 WeakPolarHBondContact O-CG2 3.22Å; M74-V78 PolarHBondContact O-N 3.05Å; A75-V78 PolarHBondContact O-N 3.45Å; V78-G82 PolarHBondContact O-N 3Å |
| 79 | Y | 98.5 | Very high | 96.9 | Very high | 52 Ų | 52 | 59.9 Ų | 59.9 | 20% | 0.204 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.1 | -52.6 | 174.3 | 167.6 | -100.3 | 0 | 0 | 0 | 112.1 | M20 L21 N22 H23 V26 A75 G76 V77 H81 G82 I83 | M20-Y79 PolarHBondContact O-OH 3.44Å; L21-Y79 WeakPolarHBondContact CA-OH 3.41Å; L21-Y79 HydrophobicContact CD2-CE1 4.15Å; N22-Y79 PolarHBondContact N-OH 3.48Å; H23-Y79 HydrophobicContact CB-CD1 3.45Å; H23-Y79 VanDerWaalsContact CB-CD1 3.45Å; H23-Y79 HydrophobicContact CB-CD2 4.12Å; H23-Y79 HydrophobicContact CB-CE1 3.67Å; H23-Y79 HydrophobicContact CB-CE2 4.32Å; H23-Y79 HydrophobicContact CB-CG 3.69Å; H23-Y79 AromaticContact CD2-CD2 3.89Å; H23-Y79 AromaticContact CD2-CG 3.63Å; H23-Y79 AromaticContact CG-CD1 3.91Å; H23-Y79 AromaticContact CG-CG 3.74Å; V26-Y79 HydrophobicContact CG2-CD1 4.21Å; A75-Y79 PolarHBondContact O-N 3.39Å; G76-Y79 WeakPolarHBondContact O-CB 3.28Å; G76-Y79 PolarHBondContact O-N 3.48Å; V77-Y79 VanDerWaalsContact C-N 3.28Å; V77-Y79 PolarHBondContact O-N 2.83Å; Y79-H81 VanDerWaalsContact C-N 3.34Å; Y79-H81 PolarHBondContact O-N 3.21Å; Y79-G82 PolarHBondContact O-N 2.84Å; Y79-G82 VanDerWaalsContact O-N 3.14Å; Y79-I83 HydrophobicContact CE1-CD1 3.97Å; Y79-I83 HydrophobicContact CE2-CG2 4.5Å; Y79-I83 PolarHBondContact O-N 2.8Å |
| 80 | L | 97.4 | Very high | 96.8 | Very high | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -57.5 | -46.8 | 179.8 | -70.1 | 173 | 0 | 0 | 0 | 111.7 | L21 V26 G76 V77 G82 I83 G84 I85 H87 I105 F108 | L21-L80 HydrophobicContact CD1-CD2 4.16Å; L21-L80 HydrophobicContact CD2-CD2 3.55Å; L21-L80 HydrophobicContact CG-CD2 4.48Å; V26-L80 HydrophobicContact CG2-CD2 4.45Å; V26-L80 HydrophobicContact CG2-CG 4.49Å; G76-L80 VanDerWaalsContact O-CG 3.31Å; G76-L80 WeakPolarHBondContact O-CG 3.18Å; G76-L80 PolarHBondContact O-N 2.87Å; V77-L80 PolarHBondContact O-N 3.05Å; L80-G82 VanDerWaalsContact C-N 3.31Å; L80-G82 PolarHBondContact O-N 3.03Å; L80-I83 WeakPolarHBondContact O-CG1 3.39Å; L80-I83 PolarHBondContact O-N 2.83Å; L80-G84 PolarHBondContact O-N 2.77Å; L80-I85 CarbonylContact C-O 3.5Å; L80-I85 VanDerWaalsContact C-O 3.23Å; L80-I85 HydrophobicContact CD2-CG2 4.24Å; L80-I85 PolarHBondContact O-N 3.47Å; L80-I85 VanDerWaalsContact O-O 3.09Å; L80-H87 HydrophobicContact CD1-CB 4.39Å; L80-I105 HydrophobicContact CD1-CD1 4.27Å; L80-I105 HydrophobicContact CD1-CG2 4.39Å; L80-F108 HydrophobicContact CD1-CE1 3.82Å; L80-F108 HydrophobicContact CD1-CZ 4.23Å; L80-F108 HydrophobicContact CD2-CE1 3.68Å; L80-F108 HydrophobicContact CD2-CZ 4.06Å; L80-F108 HydrophobicContact CG-CE1 4.42Å |
| 81 | H | 97.5 | Very high | 96.6 | Very high | 104 Ų | 104 | 60.4 Ų | 60.4 | 48% | 0.481 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.9 | -35.3 | 179.1 | -69 | -177.4 | 0 | 0 | 0 | 111.8 | V77 Y79 I83 G84 I85 | V77-H81 VanDerWaalsContact CG1-CE1 3.41Å; V77-H81 WeakPolarHBondContact CG1-CE1 3.23Å; V77-H81 WeakPolarHBondContact O-CB 3.36Å; V77-H81 VanDerWaalsContact O-CG 3.28Å; V77-H81 PolarHBondContact O-N 3.24Å; Y79-H81 VanDerWaalsContact C-N 3.34Å; Y79-H81 PolarHBondContact O-N 3.21Å; H81-I83 PolarHBondContact O-N 3.49Å; H81-G84 PolarHBondContact O-N 3.41Å; H81-I85 PolarHBondContact CD2-O 2.95Å; H81-I85 VanDerWaalsContact CD2-O 3.31Å |
| 82 | G | 97.6 | Very high | 96.4 | Very high | 69 Ų | 69 | 56.9 Ų | 56.9 | 71% | 0.711 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -62.1 | -24.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | V78 Y79 L80 | V78-G82 PolarHBondContact O-N 3Å; Y79-G82 PolarHBondContact O-N 2.84Å; Y79-G82 VanDerWaalsContact O-N 3.14Å; L80-G82 VanDerWaalsContact C-N 3.31Å; L80-G82 PolarHBondContact O-N 3.03Å |
| 83 | I | 95.4 | Very high | 96.2 | Very high | 68 Ų | 68 | 59 Ų | 59 | 35% | 0.349 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 13.2 | 175.1 | 64 | 175.8 | 0 | 0 | 0 | 113.1 | L21 Y79 L80 H81 I85 | L21-I83 HydrophobicContact CD2-CD1 3.6Å; Y79-I83 HydrophobicContact CE1-CD1 3.97Å; Y79-I83 HydrophobicContact CE2-CG2 4.5Å; Y79-I83 PolarHBondContact O-N 2.8Å; L80-I83 WeakPolarHBondContact O-CG1 3.39Å; L80-I83 PolarHBondContact O-N 2.83Å; H81-I83 PolarHBondContact O-N 3.49Å; I83-I85 HydrophobicContact CD1-CD1 3.7Å; I83-I85 HydrophobicContact CD1-CG1 4.49Å; I83-I85 HydrophobicContact CG1-CB 4.38Å; I83-I85 HydrophobicContact CG1-CD1 4Å; I83-I85 HydrophobicContact CG1-CG1 4.27Å |
| 84 | G | 94 | Very high | 96.1 | Very high | 68 Ų | 68 | 58.4 Ų | 58.4 | 70% | 0.701 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.6 | 18 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | L80 H81 | L80-G84 PolarHBondContact O-N 2.77Å; H81-G84 PolarHBondContact O-N 3.41Å |
| 85 | I | 93.3 | Very high | 96 | Very high | 22 Ų | 22 | 55.1 Ų | 55.1 | 11% | 0.113 | 31% | 0.311 | C | S | . | . | trans | -102.5 | 128.5 | 178.3 | -68.8 | 167.6 | 0 | 0 | 0 | 109.6 | I17 L21 L80 H81 I83 | I17-I85 HydrophobicContact CG2-CD1 4.05Å; I17-I85 HydrophobicContact CG2-CG2 4.45Å; L21-I85 HydrophobicContact CD2-CD1 3.81Å; L80-I85 CarbonylContact C-O 3.5Å; L80-I85 VanDerWaalsContact C-O 3.23Å; L80-I85 HydrophobicContact CD2-CG2 4.24Å; L80-I85 PolarHBondContact O-N 3.47Å; L80-I85 VanDerWaalsContact O-O 3.09Å; H81-I85 PolarHBondContact CD2-O 2.95Å; H81-I85 VanDerWaalsContact CD2-O 3.31Å; I83-I85 HydrophobicContact CD1-CD1 3.7Å; I83-I85 HydrophobicContact CD1-CG1 4.49Å; I83-I85 HydrophobicContact CG1-CB 4.38Å; I83-I85 HydrophobicContact CG1-CD1 4Å; I83-I85 HydrophobicContact CG1-CG1 4.27Å | ||
| 86 | T | 93.9 | Very high | 96 | Very high | 84 Ų | 84 | 55.1 Ų | 55.1 | 52% | 0.515 | 31% | 0.306 | S | S | . | . | trans | -108.6 | 125.3 | 168.9 | -49.6 | 0 | 0 | 0 | 0 | 108.7 | R88 | T86-R88 HydrophobicContact CG2-CG 3.73Š| ||
| 87 | H | 94.4 | Very high | 96 | Very high | 10 Ų | 10 | 55.1 Ų | 55.1 | 5% | 0.046 | 31% | 0.306 | C | S | . | . | trans | -69.7 | -38.3 | -178.5 | -169.5 | -56.8 | 0 | 0 | 0 | 113.7 | L80 D89 I90 I105 S106 D107 F108 | L80-H87 HydrophobicContact CD1-CB 4.39Å; H87-D89 PolarHBondContact CE1-O 3.49Å; H87-D89 PolarHBondContact ND1-N 3.3Å; H87-D89 PolarHBondContact O-N 3Å; H87-I90 HydrophobicContact CB-CD1 4.21Å; H87-I90 HydrophobicContact CB-CG1 3.89Å; H87-I105 WeakPolarHBondContact CD2-CG2 3.31Å; H87-I105 WeakPolarHBondContact NE2-CG2 3.14Å; H87-S106 PolarHBondContact CE1-O 2.78Å; H87-S106 PolarHBondContact NE2-O 3.45Å; H87-D107 PolarHBondContact CE1-O 3.25Å; H87-D107 PolarHBondContact NE2-O 3.44Å; H87-F108 AromaticContact CD2-CD1 3.93Å; H87-F108 AromaticContact CD2-CE1 3.57Å | ||
| 88 | R | 93.8 | Very high | 96 | Very high | 206 Ų | 206 | 55 Ų | 55 | 78% | 0.777 | 31% | 0.305 | S | S | * | . | S | Bend | trans | 64.4 | -10.6 | 176.9 | -53.8 | 178.8 | -172.2 | 179.2 | 2.2 | 118 | T86 | T86-R88 HydrophobicContact CG2-CG 3.73Š|
| 89 | D | 94.1 | Very high | 95.9 | Very high | 41 Ų | 41 | 56.5 Ų | 56.5 | 22% | 0.219 | 31% | 0.305 | C | S | . | . | trans | -133.8 | 47.2 | 179.1 | -163 | 34.2 | 0 | 0 | 0 | 111.1 | H87 K91 N94 L110 | H87-D89 PolarHBondContact CE1-O 3.49Å; H87-D89 PolarHBondContact ND1-N 3.3Å; H87-D89 PolarHBondContact O-N 3Å; D89-K91 PolarHBondContact O-N 3.02Å; D89-K91 IonicContact OD1-NZ 3.88Å; D89-K91 PolarHBondContact OD1-NZ 3.44Å; D89-K91 IonicContact OD2-NZ 2.73Å; D89-K91 PolarHBondContact OD2-NZ 3.11Å; D89-N94 PolarHBondContact O-ND2 3.01Å; D89-N94 PolarHBondContact OD2-ND2 2.73Å; D89-L110 HydrophobicContact CB-CD1 3.51Å | ||
| 90 | I | 96.3 | Very high | 95.8 | Very high | 75 Ų | 75 | 63 Ų | 63 | 39% | 0.385 | 33% | 0.33 | S | S | . | . | trans | -76 | 114.6 | 174.6 | -63.8 | 176.1 | 0 | 0 | 0 | 108 | L73 V77 H87 | L73-I90 HydrophobicContact CD1-CG2 4.1Å; L73-I90 HydrophobicContact CD2-CG2 4.36Å; V77-I90 HydrophobicContact CG2-CD1 3.57Å; H87-I90 HydrophobicContact CB-CD1 4.21Å; H87-I90 HydrophobicContact CB-CG1 3.89Å | ||
| 91 | K | 94.8 | Very high | 95.7 | Very high | 70 Ų | 70 | 64.7 Ų | 64.7 | 30% | 0.304 | 34% | 0.339 | S | S | . | . | trans | -154.8 | 157.1 | 177.6 | 62.4 | -175.9 | -174.7 | -138.4 | 0 | 108.8 | D89 E93 N94 L95 | D89-K91 PolarHBondContact O-N 3.02Å; D89-K91 IonicContact OD1-NZ 3.88Å; D89-K91 PolarHBondContact OD1-NZ 3.44Å; D89-K91 IonicContact OD2-NZ 2.73Å; D89-K91 PolarHBondContact OD2-NZ 3.11Å; K91-E93 VanDerWaalsContact CB-OE2 3.29Å; K91-E93 WeakPolarHBondContact CB-OE2 3.21Å; K91-E93 WeakPolarHBondContact CD-OE2 3.46Å; K91-E93 HydrophobicContact CG-CB 4.34Å; K91-E93 WeakPolarHBondContact CG-OE2 3.44Å; K91-E93 PolarHBondContact O-N 3.35Å; K91-E93 VanDerWaalsContact O-N 3.08Å; K91-N94 HydrophobicContact CG-CB 4.24Å; K91-N94 PolarHBondContact O-N 2.87Å; K91-L95 WeakPolarHBondContact O-CG 3.32Å | ||
| 92 | P | 93 | Very high | 95.7 | Very high | 43 Ų | 43 | 62 Ų | 62 | 28% | 0.279 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -54.4 | -29.5 | -174.8 | -27.8 | 36.3 | 0 | 0 | 0 | 115.4 | F52 I55 N94 L95 | F52-P92 HydrophobicContact CB-CB 3.78Å; F52-P92 HydrophobicContact CD2-CB 3.95Å; F52-P92 HydrophobicContact CG-CB 4.38Å; F52-P92 PolarHBondContact N-O 3.38Å; I55-P92 HydrophobicContact CD1-CB 3.99Å; I55-P92 HydrophobicContact CD1-CG 3.97Å; P92-N94 VanDerWaalsContact C-N 3.29Å; P92-N94 PolarHBondContact O-N 3Å; P92-L95 PolarHBondContact O-N 2.69Å |
| 93 | E | 94.3 | Very high | 95.8 | Very high | 75 Ų | 75 | 58.7 Ų | 58.7 | 35% | 0.35 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -68.1 | -27.9 | 178.2 | -54.7 | 94.6 | 135.9 | 0 | 0 | 112.6 | F52 K91 L95 | F52-E93 HydrophobicContact CB-CG 4.4Å; F52-E93 HydrophobicContact CD2-CG 4.43Å; F52-E93 HydrophobicContact CG-CG 4.33Å; K91-E93 VanDerWaalsContact CB-OE2 3.29Å; K91-E93 WeakPolarHBondContact CB-OE2 3.21Å; K91-E93 WeakPolarHBondContact CD-OE2 3.46Å; K91-E93 HydrophobicContact CG-CB 4.34Å; K91-E93 WeakPolarHBondContact CG-OE2 3.44Å; K91-E93 PolarHBondContact O-N 3.35Å; K91-E93 VanDerWaalsContact O-N 3.08Å; E93-L95 VanDerWaalsContact C-N 3.34Å |
| 94 | N | 96.4 | Very high | 95.9 | Very high | 11 Ų | 11 | 56.2 Ų | 56.2 | 6% | 0.059 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -92.9 | 3.7 | 178.3 | -71.2 | -6.4 | 0 | 0 | 0 | 112.4 | D89 K91 P92 S106 D107 | D89-N94 PolarHBondContact O-ND2 3.01Å; D89-N94 PolarHBondContact OD2-ND2 2.73Å; K91-N94 HydrophobicContact CG-CB 4.24Å; K91-N94 PolarHBondContact O-N 2.87Å; P92-N94 VanDerWaalsContact C-N 3.29Å; P92-N94 PolarHBondContact O-N 3Å; N94-S106 PolarHBondContact O-N 2.81Å; N94-S106 PolarHBondContact O-OG 3.37Å; N94-D107 HydrophobicContact CB-CB 4.45Å |
| 95 | L | 97.9 | Very high | 96.1 | Very high | 9 Ų | 9 | 53 Ų | 53 | 5% | 0.047 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 112.1 | 178 | -57.6 | 176.5 | 0 | 0 | 0 | 108.4 | L51 L73 K91 P92 E93 L103 I105 | L51-L95 HydrophobicContact CB-CB 3.98Å; L51-L95 WeakPolarHBondContact CB-O 3.45Å; L51-L95 HydrophobicContact CD2-CB 4.17Å; L51-L95 HydrophobicContact CD2-CD1 3.95Å; L51-L95 PolarHBondContact N-O 2.99Å; L73-L95 HydrophobicContact CD1-CD1 4.26Å; L73-L95 HydrophobicContact CD1-CD2 3.74Å; L73-L95 HydrophobicContact CD2-CD1 4.22Å; K91-L95 WeakPolarHBondContact O-CG 3.32Å; P92-L95 PolarHBondContact O-N 2.69Å; E93-L95 VanDerWaalsContact C-N 3.34Å; L95-L103 HydrophobicContact CB-CD1 4.36Å; L95-L103 HydrophobicContact CB-CG 4.44Å; L95-L103 HydrophobicContact CD1-CD1 4.24Å; L95-L103 HydrophobicContact CD2-CD2 4.25Å; L95-I105 HydrophobicContact CD2-CB 4.42Å; L95-I105 HydrophobicContact CD2-CG1 3.89Å |
| 96 | L | 98.2 | Very high | 96.2 | Very high | 39 Ų | 39 | 52.6 Ų | 52.6 | 20% | 0.204 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 166.6 | -177.6 | -53.7 | -179.7 | 0 | 0 | 0 | 111.4 | V27 C46 G49 E50 L103 K104 | V27-L96 HydrophobicContact CG2-CD1 4.2Å; C46-L96 HydrophobicContact CB-CB 3.57Å; C46-L96 HydrophobicContact CB-CD1 4.04Å; C46-L96 HydrophobicContact CB-CG 4.43Å; G49-L96 CarbonylContact O-C 3.16Å; G49-L96 WeakPolarHBondContact O-CA 3.48Å; E50-L96 HydrophobicContact CG-CD2 3.92Å; L96-L103 CarbonylContact O-C 3.53Å; L96-L103 WeakPolarHBondContact O-CA 3.29Å; L96-K104 HydrophobicContact CB-CB 4.33Å; L96-K104 PolarHBondContact N-O 3.31Å; L96-K104 PolarHBondContact O-N 3.27Å |
| 97 | L | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 129.4 | 179.1 | -60.7 | 174.2 | 0 | 0 | 0 | 111.4 | C46 S47 G48 G49 L51 R54 F69 N102 L103 | C46-L97 CarbonylContact C-O 3.46Å; C46-L97 WeakPolarHBondContact CA-O 3.13Å; C46-L97 VanDerWaalsContact CB-O 3.23Å; C46-L97 WeakPolarHBondContact CB-O 3.49Å; S47-L97 PolarHBondContact N-O 2.84Å; G48-L97 VanDerWaalsContact CA-O 3.29Å; G48-L97 WeakPolarHBondContact CA-O 3.39Å; G48-L97 PolarHBondContact N-O 3.05Å; G49-L97 PolarHBondContact O-N 3.42Å; L51-L97 HydrophobicContact CD1-CD1 4.37Å; L51-L97 HydrophobicContact CD1-CD2 4.36Å; R54-L97 HydrophobicContact CG-CD1 3.66Å; F69-L97 HydrophobicContact CD1-CD2 4.08Å; F69-L97 HydrophobicContact CE1-CD2 3.48Å; F69-L97 VanDerWaalsContact CE1-CD2 3.48Å; F69-L97 HydrophobicContact CZ-CD2 4.11Å; L97-N102 WeakPolarHBondContact CA-O 3.32Å; L97-L103 HydrophobicContact CD2-CB 4.48Å |
| 98 | D | 97.6 | Very high | 95.6 | Very high | 13 Ų | 13 | 52.5 Ų | 52.5 | 7% | 0.07 | 24% | 0.242 | C | C | . | . | trans | -75.4 | -178.3 | 173.4 | 76.4 | 9.7 | 0 | 0 | 0 | 112.4 | R100 D101 N102 K104 | D98-R100 PolarHBondContact O-N 3.05Å; D98-R100 VanDerWaalsContact O-N 3.12Å; D98-R100 VanDerWaalsContact OD1-C 3.27Å; D98-R100 VanDerWaalsContact OD1-CA 3.32Å; D98-R100 WeakPolarHBondContact OD1-CA 3.39Å; D98-R100 WeakPolarHBondContact OD1-CB 3.37Å; D98-R100 PolarHBondContact OD1-N 2.84Å; D98-D101 PolarHBondContact O-N 3.12Å; D98-D101 PolarHBondContact OD1-N 2.84Å; D98-N102 PolarHBondContact N-O 3.37Å; D98-N102 PolarHBondContact OD1-N 3.46Å; D98-N102 PolarHBondContact OD1-ND2 3.06Å; D98-N102 WeakPolarHBondContact OD2-CB 3.23Å; D98-N102 PolarHBondContact OD2-ND2 3.15Å; D98-K104 HydrophobicContact CB-CG 4.46Å | ||
| 99 | E | 96.6 | Very high | 94.4 | Very high | 126 Ų | 126 | 44 Ų | 44 | 59% | 0.589 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -13 | -178.8 | 75.3 | -75.3 | 175.7 | 0 | 0 | 114.5 | S47 | S47-E99 WeakPolarHBondContact OG-CA 3.39Å; S47-E99 WeakPolarHBondContact OG-CB 3.32Å |
| 100 | R | 96.6 | Very high | 92.4 | Very high | 190 Ų | 190 | 49 Ų | 49 | 72% | 0.717 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -108.2 | 13 | 178 | -55.7 | -178.4 | -174.7 | -161.7 | -3.4 | 111.7 | D98 N102 | D98-R100 PolarHBondContact O-N 3.05Å; D98-R100 VanDerWaalsContact O-N 3.12Å; D98-R100 VanDerWaalsContact OD1-C 3.27Å; D98-R100 VanDerWaalsContact OD1-CA 3.32Å; D98-R100 WeakPolarHBondContact OD1-CA 3.39Å; D98-R100 WeakPolarHBondContact OD1-CB 3.37Å; D98-R100 PolarHBondContact OD1-N 2.84Å; R100-N102 VanDerWaalsContact C-N 3.27Å; R100-N102 PolarHBondContact O-N 3.42Å |
| 101 | D | 96 | Very high | 92.2 | Very high | 36 Ų | 36 | 47.7 Ų | 47.7 | 19% | 0.193 | 24% | 0.238 | C | C | . | . | trans | 65.5 | 29.5 | 178.4 | -155.4 | 53.9 | 0 | 0 | 0 | 112.5 | R54 R68 F69 D98 | R54-D101 IonicContact CZ-OD1 3.13Å; R54-D101 IonicContact NH1-OD1 2.72Å; R54-D101 PolarHBondContact NH1-OD1 3.4Å; R54-D101 IonicContact NH1-OD2 3.59Å; R54-D101 IonicContact NH2-OD1 2.76Å; R54-D101 PolarHBondContact NH2-OD1 2.9Å; R68-D101 IonicContact CZ-OD2 3.03Å; R68-D101 IonicContact NH1-OD2 3.71Å; R68-D101 VanDerWaalsContact NH2-CB 3.31Å; R68-D101 VanDerWaalsContact NH2-CG 3.3Å; R68-D101 PolarHBondContact NH2-O 2.83Å; R68-D101 IonicContact NH2-OD2 2.8Å; R68-D101 PolarHBondContact NH2-OD2 3.06Å; F69-D101 WeakPolarHBondContact CE1-O 3.33Å; D98-D101 PolarHBondContact O-N 3.12Å; D98-D101 PolarHBondContact OD1-N 2.84Å | ||
| 102 | N | 97.9 | Very high | 92 | Very high | 47 Ų | 47 | 46.5 Ų | 46.5 | 25% | 0.251 | 23% | 0.234 | S | C | . | . | trans | -89.3 | 139.8 | 170.1 | -53.2 | -62.9 | 0 | 0 | 0 | 111.2 | Q72 L97 D98 R100 | Q72-N102 PolarHBondContact NE2-OD1 2.9Å; L97-N102 WeakPolarHBondContact CA-O 3.32Å; D98-N102 PolarHBondContact N-O 3.37Å; D98-N102 PolarHBondContact OD1-N 3.46Å; D98-N102 PolarHBondContact OD1-ND2 3.06Å; D98-N102 WeakPolarHBondContact OD2-CB 3.23Å; D98-N102 PolarHBondContact OD2-ND2 3.15Å; R100-N102 VanDerWaalsContact C-N 3.27Å; R100-N102 PolarHBondContact O-N 3.42Å | ||
| 103 | L | 98.5 | Very high | 92 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 135.5 | 178 | -178.6 | 154.8 | 0 | 0 | 0 | 112 | N25 L51 F69 Q72 L73 L95 L96 L97 I105 | N25-L103 VanDerWaalsContact CA-O 3.24Å; N25-L103 WeakPolarHBondContact CA-O 3.42Å; N25-L103 HydrophobicContact CB-CD2 4.49Å; N25-L103 WeakPolarHBondContact CB-O 3.31Å; N25-L103 PolarHBondContact ND2-O 2.94Å; L51-L103 HydrophobicContact CD2-CD1 4.05Å; F69-L103 HydrophobicContact CB-CD1 4.15Å; F69-L103 HydrophobicContact CD1-CB 4.21Å; Q72-L103 HydrophobicContact CB-CB 3.93Å; L73-L103 HydrophobicContact CB-CD1 3.99Å; L73-L103 HydrophobicContact CB-CD2 4.28Å; L95-L103 HydrophobicContact CB-CD1 4.36Å; L95-L103 HydrophobicContact CB-CG 4.44Å; L95-L103 HydrophobicContact CD1-CD1 4.24Å; L95-L103 HydrophobicContact CD2-CD2 4.25Å; L96-L103 CarbonylContact O-C 3.53Å; L96-L103 WeakPolarHBondContact O-CA 3.29Å; L97-L103 HydrophobicContact CD2-CB 4.48Å; L103-I105 HydrophobicContact CD2-CG1 3.9Å |
| 104 | K | 98.5 | Very high | 91.8 | Very high | 15 Ų | 15 | 45.1 Ų | 45.1 | 7% | 0.065 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 115.7 | 176.5 | -60 | -69.3 | -173.4 | 157.9 | 0 | 109.8 | E24 V27 E44 L96 D98 | E24-K104 WeakPolarHBondContact O-CD 3.4Å; E24-K104 VanDerWaalsContact O-CE 3.23Å; E24-K104 WeakPolarHBondContact O-CE 3.34Å; E24-K104 PolarHBondContact O-NZ 3.33Å; V27-K104 HydrophobicContact CG2-CB 3.78Å; E44-K104 VanDerWaalsContact CD-NZ 3.28Å; E44-K104 VanDerWaalsContact OE1-CE 3.31Å; E44-K104 WeakPolarHBondContact OE1-CE 3.35Å; E44-K104 IonicContact OE1-NZ 3.42Å; E44-K104 PolarHBondContact OE1-NZ 2.76Å; E44-K104 IonicContact OE2-NZ 3.9Å; E44-K104 PolarHBondContact OE2-NZ 2.72Å; L96-K104 HydrophobicContact CB-CB 4.33Å; L96-K104 PolarHBondContact N-O 3.31Å; L96-K104 PolarHBondContact O-N 3.27Å; D98-K104 HydrophobicContact CB-CG 4.46Å |
| 105 | I | 98.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 130.9 | 172.9 | -58.5 | 168.7 | 0 | 0 | 0 | 109.2 | N25 V26 V27 L73 V77 L80 H87 L95 L103 F108 | N25-I105 WeakPolarHBondContact O-CG1 3.48Å; N25-I105 PolarHBondContact O-N 3.16Å; V26-I105 HydrophobicContact CG2-CB 4.44Å; V27-I105 WeakPolarHBondContact CG2-O 3.41Å; V27-I105 PolarHBondContact N-O 2.93Å; L73-I105 HydrophobicContact CD1-CD1 3.98Å; L73-I105 HydrophobicContact CD1-CG1 4.07Å; V77-I105 HydrophobicContact CG2-CD1 4.21Å; L80-I105 HydrophobicContact CD1-CD1 4.27Å; L80-I105 HydrophobicContact CD1-CG2 4.39Å; H87-I105 WeakPolarHBondContact CD2-CG2 3.31Å; H87-I105 WeakPolarHBondContact NE2-CG2 3.14Å; L95-I105 HydrophobicContact CD2-CB 4.42Å; L95-I105 HydrophobicContact CD2-CG1 3.89Å; L103-I105 HydrophobicContact CD2-CG1 3.9Å; I105-F108 HydrophobicContact CG2-CZ 4.04Å |
| 106 | S | 95.6 | Very high | 91.1 | Very high | 15 Ų | 15 | 49.7 Ų | 49.7 | 11% | 0.105 | 25% | 0.248 | C | C | . | . | trans | -135.2 | 173 | -174.4 | 76.7 | 0 | 0 | 0 | 0 | 111.8 | H87 N94 | H87-S106 PolarHBondContact CE1-O 2.78Å; H87-S106 PolarHBondContact NE2-O 3.45Å; N94-S106 PolarHBondContact O-N 2.81Å; N94-S106 PolarHBondContact O-OG 3.37Å | ||
| 107 | D | 90.1 | Very high | 90.6 | Very high | 80 Ų | 80 | 50.5 Ų | 50.5 | 43% | 0.428 | 25% | 0.251 | S | S | . | . | trans | 60.5 | 78.6 | 177.2 | -164.5 | 3.4 | 0 | 0 | 0 | 115.5 | H87 N94 G109 | H87-D107 PolarHBondContact CE1-O 3.25Å; H87-D107 PolarHBondContact NE2-O 3.44Å; N94-D107 HydrophobicContact CB-CB 4.45Å; D107-G109 VanDerWaalsContact C-N 3.29Å; D107-G109 PolarHBondContact O-N 3.25Å; D107-G109 PolarHBondContact OD1-N 2.89Å | ||
| 108 | F | 84.6 | Confident | 90 | Very high | 11 Ų | 11 | 54.4 Ų | 54.4 | 5% | 0.048 | 27% | 0.27 | C | S | . | . | trans | -92.5 | 20.7 | 174.3 | -61.7 | -90 | 0 | 0 | 0 | 112.5 | I17 L21 V26 L80 H87 I105 L110 | I17-F108 HydrophobicContact CG2-CB 4.02Å; I17-F108 HydrophobicContact CG2-CD1 4.02Å; I17-F108 HydrophobicContact CG2-CG 4.08Å; L21-F108 HydrophobicContact CD1-CD1 4.07Å; L21-F108 HydrophobicContact CD1-CD2 3.88Å; L21-F108 HydrophobicContact CD1-CE1 3.67Å; L21-F108 HydrophobicContact CD1-CE2 3.47Å; L21-F108 VanDerWaalsContact CD1-CE2 3.47Å; L21-F108 HydrophobicContact CD1-CG 4.17Å; L21-F108 HydrophobicContact CD1-CZ 3.37Å; V26-F108 HydrophobicContact CG1-CE2 3.95Å; V26-F108 HydrophobicContact CG1-CZ 3.76Å; L80-F108 HydrophobicContact CD1-CE1 3.82Å; L80-F108 HydrophobicContact CD1-CZ 4.23Å; L80-F108 HydrophobicContact CD2-CE1 3.68Å; L80-F108 HydrophobicContact CD2-CZ 4.06Å; L80-F108 HydrophobicContact CG-CE1 4.42Å; H87-F108 AromaticContact CD2-CD1 3.93Å; H87-F108 AromaticContact CD2-CE1 3.57Å; I105-F108 HydrophobicContact CG2-CZ 4.04Å; F108-L110 PolarHBondContact O-N 3.38Å | ||
| 109 | G | 68.1 | Low | 89.4 | Confident | 27 Ų | 27 | 57.8 Ų | 57.8 | 28% | 0.278 | 29% | 0.287 | S | S | . | . | trans | -81.9 | 2.3 | -166.2 | 0 | 0 | 0 | 0 | 0 | 117 | D107 | D107-G109 VanDerWaalsContact C-N 3.29Å; D107-G109 PolarHBondContact O-N 3.25Å; D107-G109 PolarHBondContact OD1-N 2.89Å | ||
| 110 | L | 52.4 | Low | 88.8 | Confident | 147 Ų | 147 | 51.6 Ų | 51.6 | 77% | 0.77 | 26% | 0.26 | S | S | * | . | trans | -87.2 | 0 | 175 | -95.9 | 158.7 | 0 | 0 | 0 | 113.5 | D89 F108 | D89-L110 HydrophobicContact CB-CD1 3.51Å; F108-L110 PolarHBondContact O-N 3.38Å |
Retrieved 110 of 110 residues in 66.8 ms
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