| 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 | 39 | Very low | 51.5 | Low | 243 Ų | 243 | 127.4 Ų | 127.4 | 100% | 1.197 | 70% | 0.703 | S | S | * | * | 0 | 76.5 | 0 | -77.2 | 176.3 | 170.3 | 0 | 0 | 106.6 | |||||
| 2 | E | 44.1 | Very low | 52.5 | Low | 195 Ų | 195 | 125.2 Ų | 125.2 | 91% | 0.911 | 69% | 0.688 | S | S | * | * | trans | -154.6 | 77.5 | -173.9 | -101.9 | 172.9 | 139.3 | 0 | 0 | 106.4 | ||||
| 3 | D | 41.1 | Very low | 53.3 | Low | 137 Ų | 137 | 121.9 Ų | 121.9 | 73% | 0.733 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -152.1 | -8.4 | 175.7 | -150.5 | 16.7 | 0 | 0 | 0 | 112.8 | ||
| 4 | G | 49.3 | Very low | 54.3 | Low | 72 Ų | 72 | 125.8 Ų | 125.8 | 74% | 0.742 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -93.9 | -5.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 5 | K | 50 | Low | 55.5 | Low | 183 Ų | 183 | 123.4 Ų | 123.4 | 80% | 0.796 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -100.7 | -27.8 | -171.8 | -154.3 | 170.4 | -175.9 | 177 | 0 | 113.6 | ||
| 6 | E | 49 | Very low | 56.5 | Low | 142 Ų | 142 | 126.4 Ų | 126.4 | 66% | 0.664 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -79.6 | -24.5 | -179.3 | -65.5 | -167.9 | 161.2 | 0 | 0 | 113.8 | T9 N10 | E6-T9 PolarHBondContact O-OG1 3.35Å; E6-T9 VanDerWaalsContact O-OG1 3.1Å; E6-N10 PolarHBondContact O-N 3.08Å; E6-N10 PolarHBondContact O-ND2 2.68Å |
| 7 | V | 52.4 | Low | 57.4 | Low | 105 Ų | 105 | 123.9 Ų | 123.9 | 64% | 0.636 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -72.7 | -34.3 | -179.5 | -176.7 | 0 | 0 | 0 | 0 | 111.5 | S11 | V7-S11 PolarHBondContact O-N 2.93Å |
| 8 | S | 55.9 | Low | 58.3 | Low | 83 Ų | 83 | 122.1 Ų | 122.1 | 58% | 0.58 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -80.6 | -24.3 | -177.4 | -166.6 | 0 | 0 | 0 | 0 | 113.7 | S11 | S8-S11 PolarHBondContact O-OG 3.01Å |
| 9 | T | 58.8 | Low | 59.2 | Low | 76 Ų | 76 | 118.8 Ų | 118.8 | 47% | 0.466 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -80.1 | -39.8 | 175.7 | 51.3 | 0 | 0 | 0 | 0 | 110.8 | E6 S11 L12 L13 | E6-T9 PolarHBondContact O-OG1 3.35Å; E6-T9 VanDerWaalsContact O-OG1 3.1Å; T9-S11 VanDerWaalsContact C-N 3.27Å; T9-S11 PolarHBondContact O-N 3.15Å; T9-L12 PolarHBondContact O-N 2.95Å; T9-L13 WeakPolarHBondContact O-CG 3.28Å; T9-L13 PolarHBondContact O-N 2.61Å |
| 10 | N | 62.3 | Low | 60 | Low | 90 Ų | 90 | 117.4 Ų | 117.4 | 48% | 0.481 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -65 | -25.7 | 176.4 | -86.7 | -69.1 | 0 | 0 | 0 | 114.1 | E6 K14 | E6-N10 PolarHBondContact O-N 3.08Å; E6-N10 PolarHBondContact O-ND2 2.68Å; N10-K14 WeakPolarHBondContact O-CG 3.46Å |
| 11 | S | 64.3 | Low | 60.9 | Low | 75 Ų | 75 | 116.1 Ų | 116.1 | 52% | 0.524 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -76 | -31.9 | 174.1 | 53.8 | 0 | 0 | 0 | 0 | 113 | V7 S8 T9 | V7-S11 PolarHBondContact O-N 2.93Å; S8-S11 PolarHBondContact O-OG 3.01Å; T9-S11 VanDerWaalsContact C-N 3.27Å; T9-S11 PolarHBondContact O-N 3.15Å |
| 12 | L | 63.6 | Low | 62.7 | Low | 101 Ų | 101 | 109.1 Ų | 109.1 | 53% | 0.529 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -72.7 | -37.1 | 178.8 | -163.8 | 78.1 | 0 | 0 | 0 | 111.2 | T9 K14 D15 Y18 | T9-L12 PolarHBondContact O-N 2.95Å; L12-K14 PolarHBondContact O-N 3.18Å; L12-D15 WeakPolarHBondContact O-CB 3.3Å; L12-D15 PolarHBondContact O-N 3.17Å; L12-Y18 HydrophobicContact CG-CE2 4.11Å; L12-Y18 WeakPolarHBondContact O-CD2 3.39Å |
| 13 | L | 62.5 | Low | 64.4 | Low | 83 Ų | 83 | 105 Ų | 105 | 44% | 0.435 | 57% | 0.569 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.9 | -3.9 | 178.7 | -63.4 | 177.5 | 0 | 0 | 0 | 114.2 | T9 L22 | T9-L13 WeakPolarHBondContact O-CG 3.28Å; T9-L13 PolarHBondContact O-N 2.61Å; L13-L22 HydrophobicContact CB-CD1 4.11Å; L13-L22 HydrophobicContact CD2-CD2 4.22Å; L13-L22 WeakPolarHBondContact O-CD1 3.24Å |
| 14 | K | 67.4 | Low | 66 | Low | 176 Ų | 176 | 107.8 Ų | 107.8 | 77% | 0.765 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | -3.4 | 174.5 | -74.8 | 177.7 | -177.3 | -175.5 | 0 | 113.6 | N10 L12 | N10-K14 WeakPolarHBondContact O-CG 3.46Å; L12-K14 PolarHBondContact O-N 3.18Å |
| 15 | D | 72.2 | Confident | 67.3 | Low | 90 Ų | 90 | 111.6 Ų | 111.6 | 48% | 0.481 | 58% | 0.581 | S | S | . | * | S | Bend | trans | -72.8 | 132.7 | 175.3 | -158.4 | -37.5 | 0 | 0 | 0 | 109.2 | L12 C17 Y18 | L12-D15 WeakPolarHBondContact O-CB 3.3Å; L12-D15 PolarHBondContact O-N 3.17Å; D15-C17 PolarHBondContact O-N 3.22Å; D15-C17 PolarHBondContact OD1-N 3.31Å; D15-Y18 HydrophobicContact CB-CD2 3.86Å; D15-Y18 HydrophobicContact CB-CE2 4.2Å; D15-Y18 PolarHBondContact O-N 3.23Å |
| 16 | E | 71.7 | Confident | 68.8 | Low | 172 Ų | 172 | 106 Ų | 106 | 80% | 0.804 | 56% | 0.557 | S | S | * | * | G | 310 helix | trans | -55.6 | -24.4 | 178.7 | -90.1 | -178.3 | 154.7 | 0 | 0 | 112 | Y18 S19 | E16-Y18 PolarHBondContact O-N 2.95Å; E16-S19 PolarHBondContact O-N 2.98Å; E16-S19 PolarHBondContact O-OG 3.04Å |
| 17 | C | 72.1 | Confident | 70.3 | Confident | 83 Ų | 83 | 102.7 Ų | 102.7 | 56% | 0.561 | 54% | 0.543 | S | S | * | . | G | 310 helix | trans | -62.8 | -24.9 | 175.3 | -170.9 | 0 | 0 | 0 | 0 | 113.6 | D15 | D15-C17 PolarHBondContact O-N 3.22Å; D15-C17 PolarHBondContact OD1-N 3.31Å |
| 18 | Y | 73.1 | Confident | 71.7 | Confident | 91 Ų | 91 | 101.9 Ų | 101.9 | 36% | 0.357 | 54% | 0.538 | S | S | . | . | G | 310 helix | trans | -103.6 | -2.8 | -178.4 | -58.4 | -68.8 | 0 | 0 | 0 | 114 | L12 D15 E16 D20 F21 L22 | L12-Y18 HydrophobicContact CG-CE2 4.11Å; L12-Y18 WeakPolarHBondContact O-CD2 3.39Å; D15-Y18 HydrophobicContact CB-CD2 3.86Å; D15-Y18 HydrophobicContact CB-CE2 4.2Å; D15-Y18 PolarHBondContact O-N 3.23Å; E16-Y18 PolarHBondContact O-N 2.95Å; Y18-D20 VanDerWaalsContact C-N 3.27Å; Y18-D20 PolarHBondContact O-N 3.25Å; Y18-F21 HydrophobicContact CD1-CD2 4.44Å; Y18-F21 PolarHBondContact O-N 3.48Å; Y18-F21 VanDerWaalsContact O-N 3.09Å; Y18-L22 WeakPolarHBondContact O-CG 3.21Å; Y18-L22 PolarHBondContact O-N 2.93Å |
| 19 | S | 75.4 | Confident | 73 | Confident | 61 Ų | 61 | 105.7 Ų | 105.7 | 43% | 0.427 | 55% | 0.545 | S | S | . | . | G | 310 helix | trans | -60.5 | -37.7 | -176.1 | 58.3 | 0 | 0 | 0 | 0 | 112.6 | E16 F21 L22 | E16-S19 PolarHBondContact O-N 2.98Å; E16-S19 PolarHBondContact O-OG 3.04Å; S19-F21 PolarHBondContact O-N 3.49Å; S19-L22 PolarHBondContact O-N 3.41Å; S19-L22 VanDerWaalsContact O-N 3.16Å |
| 20 | D | 75.4 | Confident | 74.2 | Confident | 89 Ų | 89 | 106 Ų | 106 | 48% | 0.476 | 55% | 0.546 | S | S | . | . | G | 310 helix | trans | -65.4 | -29.9 | 179.6 | -65.2 | -3.9 | 0 | 0 | 0 | 112 | Y18 L22 F26 Y31 | Y18-D20 VanDerWaalsContact C-N 3.27Å; Y18-D20 PolarHBondContact O-N 3.25Å; D20-L22 VanDerWaalsContact C-N 3.34Å; D20-F26 WeakPolarHBondContact O-CD2 3.19Å; D20-Y31 HydrophobicContact CB-CD2 4.49Å; D20-Y31 HydrophobicContact CB-CE2 4.09Å |
| 21 | F | 78.1 | Confident | 75.3 | Confident | 92 Ų | 92 | 105.5 Ų | 105.5 | 40% | 0.404 | 54% | 0.538 | S | S | . | . | G | 310 helix | trans | -83.8 | -10.9 | 179.2 | -61.1 | -87.1 | 0 | 0 | 0 | 113.3 | Y18 S19 F26 Y31 | Y18-F21 HydrophobicContact CD1-CD2 4.44Å; Y18-F21 PolarHBondContact O-N 3.48Å; Y18-F21 VanDerWaalsContact O-N 3.09Å; S19-F21 PolarHBondContact O-N 3.49Å; F21-F26 AromaticContact CD1-CE1 3.84Å; F21-F26 HydrophobicContact CD1-CE1 3.84Å; F21-F26 AromaticContact CD1-CE2 3.75Å; F21-F26 HydrophobicContact CD1-CE2 3.75Å; F21-F26 AromaticContact CD1-CZ 3.27Å; F21-F26 HydrophobicContact CD1-CZ 3.27Å; F21-F26 HydrophobicContact CE1-CE1 4.45Å; F21-F26 HydrophobicContact CE1-CE2 4.13Å; F21-F26 AromaticContact CE1-CZ 3.61Å; F21-F26 HydrophobicContact CE1-CZ 3.61Å; F21-F26 HydrophobicContact CG-CE2 4.34Å; F21-F26 HydrophobicContact CG-CZ 4.24Å; F21-Y31 HydrophobicContact CE1-CD1 4.22Å; F21-Y31 AromaticContact CE1-CE1 3.88Å; F21-Y31 HydrophobicContact CE1-CE1 3.88Å; F21-Y31 HydrophobicContact CE2-CE1 4.36Å; F21-Y31 HydrophobicContact CE2-CE2 4.48Å; F21-Y31 AromaticContact CE2-CZ 3.9Å; F21-Y31 HydrophobicContact CZ-CD1 4.25Å; F21-Y31 AromaticContact CZ-CE1 3.46Å; F21-Y31 HydrophobicContact CZ-CE1 3.46Å; F21-Y31 VanDerWaalsContact CZ-CE1 3.46Å; F21-Y31 HydrophobicContact CZ-CE2 4.27Å; F21-Y31 AromaticContact CZ-CZ 3.46Å; F21-Y31 VanDerWaalsContact CZ-CZ 3.46Å; F21-Y31 WeakPolarHBondContact CZ-OH 3.34Å |
| 22 | L | 78.1 | Confident | 76.2 | Confident | 95 Ų | 95 | 105.1 Ų | 105.1 | 50% | 0.497 | 53% | 0.533 | S | S | . | . | G | 310 helix | trans | -98.5 | -1.4 | -179.4 | -68.2 | 168.7 | 0 | 0 | 0 | 112.6 | L13 Y18 S19 D20 | L13-L22 HydrophobicContact CB-CD1 4.11Å; L13-L22 HydrophobicContact CD2-CD2 4.22Å; L13-L22 WeakPolarHBondContact O-CD1 3.24Å; Y18-L22 WeakPolarHBondContact O-CG 3.21Å; Y18-L22 PolarHBondContact O-N 2.93Å; S19-L22 PolarHBondContact O-N 3.41Å; S19-L22 VanDerWaalsContact O-N 3.16Å; D20-L22 VanDerWaalsContact C-N 3.34Å |
| 23 | D | 80.3 | Confident | 77.2 | Confident | 109 Ų | 109 | 103 Ų | 103 | 58% | 0.583 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -72.5 | 139.7 | 176.9 | -150.4 | -25.4 | 0 | 0 | 0 | 111.1 | D25 F26 | D23-D25 PolarHBondContact O-N 2.84Å; D23-F26 VanDerWaalsContact O-CB 3.3Å; D23-F26 WeakPolarHBondContact O-CB 3.43Å; D23-F26 PolarHBondContact O-N 2.88Å |
| 24 | E | 73.6 | Confident | 78.2 | Confident | 195 Ų | 195 | 104.2 Ų | 104.2 | 91% | 0.911 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -25 | -175.2 | -71.6 | -162.6 | 164.1 | 0 | 0 | 112.4 | ||
| 25 | D | 77.4 | Confident | 79.1 | Confident | 153 Ų | 153 | 97.9 Ų | 97.9 | 82% | 0.818 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | 17.5 | 178 | -72.1 | -38.6 | 0 | 0 | 0 | 113.2 | D23 D27 | D23-D25 PolarHBondContact O-N 2.84Å; D25-D27 PolarHBondContact O-N 3.4Å |
| 26 | F | 80.3 | Confident | 79.7 | Confident | 66 Ų | 66 | 98.9 Ų | 98.9 | 29% | 0.289 | 52% | 0.519 | S | S | . | . | trans | -58.4 | 112.5 | -176.3 | 176.2 | -108 | 0 | 0 | 0 | 112.8 | D20 F21 D23 V28 Y31 | D20-F26 WeakPolarHBondContact O-CD2 3.19Å; F21-F26 AromaticContact CD1-CE1 3.84Å; F21-F26 HydrophobicContact CD1-CE1 3.84Å; F21-F26 AromaticContact CD1-CE2 3.75Å; F21-F26 HydrophobicContact CD1-CE2 3.75Å; F21-F26 AromaticContact CD1-CZ 3.27Å; F21-F26 HydrophobicContact CD1-CZ 3.27Å; F21-F26 HydrophobicContact CE1-CE1 4.45Å; F21-F26 HydrophobicContact CE1-CE2 4.13Å; F21-F26 AromaticContact CE1-CZ 3.61Å; F21-F26 HydrophobicContact CE1-CZ 3.61Å; F21-F26 HydrophobicContact CG-CE2 4.34Å; F21-F26 HydrophobicContact CG-CZ 4.24Å; D23-F26 VanDerWaalsContact O-CB 3.3Å; D23-F26 WeakPolarHBondContact O-CB 3.43Å; D23-F26 PolarHBondContact O-N 2.88Å; F26-V28 HydrophobicContact CD1-CG2 4.21Å; F26-V28 HydrophobicContact CE1-CB 4.49Å; F26-V28 HydrophobicContact CE1-CG2 3.54Å; F26-V28 HydrophobicContact CZ-CG2 4.24Å; F26-Y31 HydrophobicContact CE2-CD1 4.44Å; F26-Y31 AromaticContact CE2-CD2 3.97Å; F26-Y31 HydrophobicContact CE2-CD2 3.97Å; F26-Y31 AromaticContact CE2-CG 3.8Å; F26-Y31 HydrophobicContact CE2-CG 3.8Å; F26-Y31 HydrophobicContact CZ-CD1 4.46Å; F26-Y31 HydrophobicContact CZ-CG 4.22Å | ||
| 27 | D | 81.5 | Confident | 80.6 | Confident | 71 Ų | 71 | 96.5 Ų | 96.5 | 38% | 0.38 | 51% | 0.507 | S | S | . | . | trans | -103.9 | 108.7 | 174 | 177 | 24 | 0 | 0 | 0 | 111.6 | D25 K29 T30 Y31 | D25-D27 PolarHBondContact O-N 3.4Å; D27-K29 PolarHBondContact O-N 3.27Å; D27-K29 VanDerWaalsContact O-N 3.15Å; D27-K29 WeakPolarHBondContact OD1-CB 3.46Å; D27-K29 PolarHBondContact OD1-N 3.36Å; D27-T30 PolarHBondContact O-N 3.16Å; D27-T30 VanDerWaalsContact O-N 3.17Å; D27-T30 WeakPolarHBondContact OD2-CB 3.37Å; D27-T30 PolarHBondContact OD2-N 2.65Å; D27-T30 PolarHBondContact OD2-OG1 3.34Å; D27-Y31 PolarHBondContact O-N 2.95Å | ||
| 28 | V | 82.6 | Confident | 81.4 | Confident | 88 Ų | 88 | 97.7 Ų | 97.7 | 53% | 0.533 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -52.5 | -36.6 | 175.4 | 177.6 | 0 | 0 | 0 | 0 | 111.9 | F26 T32 | F26-V28 HydrophobicContact CD1-CG2 4.21Å; F26-V28 HydrophobicContact CE1-CB 4.49Å; F26-V28 HydrophobicContact CE1-CG2 3.54Å; F26-V28 HydrophobicContact CZ-CG2 4.24Å; V28-T32 HydrophobicContact CG1-CG2 4.16Å; V28-T32 VanDerWaalsContact O-CB 3.3Å; V28-T32 WeakPolarHBondContact O-CB 3.41Å; V28-T32 WeakPolarHBondContact O-CG2 3.46Å; V28-T32 PolarHBondContact O-N 3.46Å; V28-T32 PolarHBondContact O-OG1 3.02Å |
| 29 | K | 83.4 | Confident | 82.1 | Confident | 164 Ų | 164 | 96.2 Ų | 96.2 | 71% | 0.713 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -71 | -42.7 | -176.9 | -59.1 | -175.7 | -167.5 | -178.7 | 0 | 111.2 | D27 T32 A33 | D27-K29 PolarHBondContact O-N 3.27Å; D27-K29 VanDerWaalsContact O-N 3.15Å; D27-K29 WeakPolarHBondContact OD1-CB 3.46Å; D27-K29 PolarHBondContact OD1-N 3.36Å; K29-T32 PolarHBondContact O-OG1 3.45Å; K29-T32 VanDerWaalsContact O-OG1 3.08Å; K29-A33 VanDerWaalsContact O-CB 3.28Å; K29-A33 WeakPolarHBondContact O-CB 3.01Å; K29-A33 PolarHBondContact O-N 3.29Å |
| 30 | T | 83.3 | Confident | 82.9 | Confident | 82 Ų | 82 | 96.6 Ų | 96.6 | 50% | 0.503 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.4 | -44.4 | 177.2 | -59.3 | 0 | 0 | 0 | 0 | 111.2 | D27 A33 Q34 | D27-T30 PolarHBondContact O-N 3.16Å; D27-T30 VanDerWaalsContact O-N 3.17Å; D27-T30 WeakPolarHBondContact OD2-CB 3.37Å; D27-T30 PolarHBondContact OD2-N 2.65Å; D27-T30 PolarHBondContact OD2-OG1 3.34Å; T30-A33 PolarHBondContact O-N 2.98Å; T30-Q34 WeakPolarHBondContact O-CB 3.3Å; T30-Q34 PolarHBondContact O-N 2.98Å |
| 31 | Y | 85.3 | Confident | 83.6 | Confident | 79 Ų | 79 | 96 Ų | 96 | 31% | 0.31 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.1 | -45.9 | 176.9 | -175.5 | -91.6 | 0 | 0 | 0 | 112.3 | D20 F21 F26 D27 Q34 A35 | D20-Y31 HydrophobicContact CB-CD2 4.49Å; D20-Y31 HydrophobicContact CB-CE2 4.09Å; F21-Y31 HydrophobicContact CE1-CD1 4.22Å; F21-Y31 AromaticContact CE1-CE1 3.88Å; F21-Y31 HydrophobicContact CE1-CE1 3.88Å; F21-Y31 HydrophobicContact CE2-CE1 4.36Å; F21-Y31 HydrophobicContact CE2-CE2 4.48Å; F21-Y31 AromaticContact CE2-CZ 3.9Å; F21-Y31 HydrophobicContact CZ-CD1 4.25Å; F21-Y31 AromaticContact CZ-CE1 3.46Å; F21-Y31 HydrophobicContact CZ-CE1 3.46Å; F21-Y31 VanDerWaalsContact CZ-CE1 3.46Å; F21-Y31 HydrophobicContact CZ-CE2 4.27Å; F21-Y31 AromaticContact CZ-CZ 3.46Å; F21-Y31 VanDerWaalsContact CZ-CZ 3.46Å; F21-Y31 WeakPolarHBondContact CZ-OH 3.34Å; F26-Y31 HydrophobicContact CE2-CD1 4.44Å; F26-Y31 AromaticContact CE2-CD2 3.97Å; F26-Y31 HydrophobicContact CE2-CD2 3.97Å; F26-Y31 AromaticContact CE2-CG 3.8Å; F26-Y31 HydrophobicContact CE2-CG 3.8Å; F26-Y31 HydrophobicContact CZ-CD1 4.46Å; F26-Y31 HydrophobicContact CZ-CG 4.22Å; D27-Y31 PolarHBondContact O-N 2.95Å; Y31-Q34 PolarHBondContact O-N 3.37Å; Y31-A35 WeakPolarHBondContact O-CB 3.36Å; Y31-A35 PolarHBondContact O-N 2.94Å |
| 32 | T | 83 | Confident | 84.3 | Confident | 67 Ų | 67 | 94.4 Ų | 94.4 | 41% | 0.411 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.2 | -40 | 177.3 | 51 | 0 | 0 | 0 | 0 | 112.3 | V28 K29 Q34 A35 I36 | V28-T32 HydrophobicContact CG1-CG2 4.16Å; V28-T32 VanDerWaalsContact O-CB 3.3Å; V28-T32 WeakPolarHBondContact O-CB 3.41Å; V28-T32 WeakPolarHBondContact O-CG2 3.46Å; V28-T32 PolarHBondContact O-N 3.46Å; V28-T32 PolarHBondContact O-OG1 3.02Å; K29-T32 PolarHBondContact O-OG1 3.45Å; K29-T32 VanDerWaalsContact O-OG1 3.08Å; T32-Q34 VanDerWaalsContact C-N 3.33Å; T32-Q34 PolarHBondContact O-N 3.23Å; T32-A35 PolarHBondContact O-N 3.39Å; T32-I36 WeakPolarHBondContact O-CB 3.38Å; T32-I36 WeakPolarHBondContact O-CD1 3.5Å; T32-I36 WeakPolarHBondContact O-CG1 3.47Å; T32-I36 PolarHBondContact O-N 3.1Å |
| 33 | A | 83.8 | Confident | 85.1 | Confident | 58 Ų | 58 | 94.8 Ų | 94.8 | 48% | 0.479 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.9 | -41.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | K29 T30 I36 H37 | K29-A33 VanDerWaalsContact O-CB 3.28Å; K29-A33 WeakPolarHBondContact O-CB 3.01Å; K29-A33 PolarHBondContact O-N 3.29Å; T30-A33 PolarHBondContact O-N 2.98Å; A33-I36 PolarHBondContact O-N 3.09Å; A33-H37 WeakPolarHBondContact O-CB 3.35Å; A33-H37 PolarHBondContact O-N 3.37Å |
| 34 | Q | 85 | Confident | 85.8 | Confident | 107 Ų | 107 | 94.7 Ų | 94.7 | 50% | 0.5 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -70 | -40.2 | 177.9 | -170.3 | 166 | -2.6 | 0 | 0 | 112.5 | T30 Y31 T32 H37 H38 | T30-Q34 WeakPolarHBondContact O-CB 3.3Å; T30-Q34 PolarHBondContact O-N 2.98Å; Y31-Q34 PolarHBondContact O-N 3.37Å; T32-Q34 VanDerWaalsContact C-N 3.33Å; T32-Q34 PolarHBondContact O-N 3.23Å; Q34-H37 PolarHBondContact O-N 3.36Å; Q34-H38 PolarHBondContact O-N 2.97Å; Q34-H38 PolarHBondContact O-ND1 2.91Å |
| 35 | A | 85 | Confident | 86.8 | Confident | 44 Ų | 44 | 91 Ų | 91 | 36% | 0.364 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.6 | -41.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y31 T32 H37 H38 A39 | Y31-A35 WeakPolarHBondContact O-CB 3.36Å; Y31-A35 PolarHBondContact O-N 2.94Å; T32-A35 PolarHBondContact O-N 3.39Å; A35-H37 VanDerWaalsContact C-N 3.35Å; A35-H38 PolarHBondContact O-N 2.97Å; A35-A39 WeakPolarHBondContact O-CB 3.42Å; A35-A39 PolarHBondContact O-N 3.19Å |
| 36 | I | 86.3 | Confident | 87.6 | Confident | 111 Ų | 111 | 86.6 Ų | 86.6 | 57% | 0.569 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -61.8 | -44.3 | 173.3 | -68.6 | 164.3 | 0 | 0 | 0 | 110.2 | T32 A33 H38 A39 V40 | T32-I36 WeakPolarHBondContact O-CB 3.38Å; T32-I36 WeakPolarHBondContact O-CD1 3.5Å; T32-I36 WeakPolarHBondContact O-CG1 3.47Å; T32-I36 PolarHBondContact O-N 3.1Å; A33-I36 PolarHBondContact O-N 3.09Å; I36-H38 PolarHBondContact O-N 3.33Å; I36-A39 WeakPolarHBondContact O-CB 3.13Å; I36-A39 PolarHBondContact O-N 3.3Å; I36-V40 HydrophobicContact CG2-CG2 4.5Å; I36-V40 VanDerWaalsContact O-CG2 3.24Å; I36-V40 WeakPolarHBondContact O-CG2 3.43Å; I36-V40 PolarHBondContact O-N 2.94Å |
| 37 | H | 89.9 | Confident | 88.4 | Confident | 121 Ų | 121 | 88.1 Ų | 88.1 | 56% | 0.56 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.7 | -42.4 | 178.2 | -166.9 | -85.5 | 0 | 0 | 0 | 112.3 | A33 Q34 A35 V40 I41 | A33-H37 WeakPolarHBondContact O-CB 3.35Å; A33-H37 PolarHBondContact O-N 3.37Å; Q34-H37 PolarHBondContact O-N 3.36Å; A35-H37 VanDerWaalsContact C-N 3.35Å; H37-V40 PolarHBondContact O-N 3.34Å; H37-I41 VanDerWaalsContact ND1-CD1 3.34Å; H37-I41 WeakPolarHBondContact ND1-CD1 3.41Å; H37-I41 WeakPolarHBondContact O-CG1 3.44Å; H37-I41 PolarHBondContact O-N 3.25Å |
| 38 | H | 88.4 | Confident | 89.1 | Confident | 109 Ų | 109 | 90.2 Ų | 90.2 | 51% | 0.505 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.7 | -39.9 | 173.8 | -74.8 | 142.8 | 0 | 0 | 0 | 112.8 | Q34 A35 I36 V40 I41 A42 | Q34-H38 PolarHBondContact O-N 2.97Å; Q34-H38 PolarHBondContact O-ND1 2.91Å; A35-H38 PolarHBondContact O-N 2.97Å; I36-H38 PolarHBondContact O-N 3.33Å; H38-V40 VanDerWaalsContact C-N 3.3Å; H38-V40 PolarHBondContact O-N 2.91Å; H38-I41 PolarHBondContact O-N 2.93Å; H38-A42 WeakPolarHBondContact O-CB 3.47Å; H38-A42 PolarHBondContact O-N 2.94Å |
| 39 | A | 89.1 | Confident | 89.8 | Confident | 60 Ų | 60 | 88.5 Ų | 88.5 | 50% | 0.496 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.2 | -41 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | A35 I36 A42 E43 | A35-A39 WeakPolarHBondContact O-CB 3.42Å; A35-A39 PolarHBondContact O-N 3.19Å; I36-A39 WeakPolarHBondContact O-CB 3.13Å; I36-A39 PolarHBondContact O-N 3.3Å; A39-A42 PolarHBondContact O-N 3.32Å; A39-E43 PolarHBondContact O-N 3.42Å |
| 40 | V | 91.9 | Very high | 90.4 | Very high | 68 Ų | 68 | 86.2 Ų | 86.2 | 41% | 0.412 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.1 | -42.3 | 175 | 174.8 | 0 | 0 | 0 | 0 | 111.1 | I36 H37 H38 E43 Q44 | I36-V40 HydrophobicContact CG2-CG2 4.5Å; I36-V40 VanDerWaalsContact O-CG2 3.24Å; I36-V40 WeakPolarHBondContact O-CG2 3.43Å; I36-V40 PolarHBondContact O-N 2.94Å; H37-V40 PolarHBondContact O-N 3.34Å; H38-V40 VanDerWaalsContact C-N 3.3Å; H38-V40 PolarHBondContact O-N 2.91Å; V40-E43 PolarHBondContact O-N 2.97Å; V40-Q44 WeakPolarHBondContact O-CG 3.48Å; V40-Q44 PolarHBondContact O-N 2.94Å |
| 41 | I | 90.6 | Very high | 91.1 | Very high | 76 Ų | 76 | 83.9 Ų | 83.9 | 39% | 0.39 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62 | -45.6 | 176 | -68.1 | 164.4 | 0 | 0 | 0 | 110.9 | H37 H38 E43 Q44 L45 | H37-I41 VanDerWaalsContact ND1-CD1 3.34Å; H37-I41 WeakPolarHBondContact ND1-CD1 3.41Å; H37-I41 WeakPolarHBondContact O-CG1 3.44Å; H37-I41 PolarHBondContact O-N 3.25Å; H38-I41 PolarHBondContact O-N 2.93Å; I41-E43 VanDerWaalsContact C-N 3.3Å; I41-E43 PolarHBondContact O-N 3.34Å; I41-Q44 PolarHBondContact O-N 3.23Å; I41-L45 HydrophobicContact CG2-CD1 4.36Å; I41-L45 PolarHBondContact O-N 3.32Å |
| 42 | A | 92.5 | Very high | 91.6 | Very high | 60 Ų | 60 | 85.1 Ų | 85.1 | 50% | 0.496 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.1 | -40.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | H38 A39 L45 A46 | H38-A42 WeakPolarHBondContact O-CB 3.47Å; H38-A42 PolarHBondContact O-N 2.94Å; A39-A42 PolarHBondContact O-N 3.32Å; A42-L45 PolarHBondContact O-N 3.05Å; A42-A46 WeakPolarHBondContact O-CB 3.49Å; A42-A46 PolarHBondContact O-N 3.36Å |
| 43 | E | 93.6 | Very high | 92.3 | Very high | 102 Ų | 102 | 85.2 Ų | 85.2 | 48% | 0.477 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.7 | -42.3 | 174.6 | -167.2 | -168.2 | 152 | 0 | 0 | 112 | A39 V40 I41 A46 K47 | A39-E43 PolarHBondContact O-N 3.42Å; V40-E43 PolarHBondContact O-N 2.97Å; I41-E43 VanDerWaalsContact C-N 3.3Å; I41-E43 PolarHBondContact O-N 3.34Å; E43-A46 PolarHBondContact O-N 3.26Å; E43-K47 WeakPolarHBondContact O-CG 3.39Å; E43-K47 PolarHBondContact O-N 3.45Å; E43-K47 WeakPolarHBondContact OE1-CE 3.2Å; E43-K47 IonicContact OE1-NZ 2.65Å; E43-K47 PolarHBondContact OE1-NZ 3.11Å |
| 44 | Q | 94.6 | Very high | 92.9 | Very high | 108 Ų | 108 | 88 Ų | 88 | 51% | 0.505 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.7 | -38.4 | 176.4 | -66.8 | -61 | -15.2 | 0 | 0 | 112.2 | V40 I41 A46 K47 L48 | V40-Q44 WeakPolarHBondContact O-CG 3.48Å; V40-Q44 PolarHBondContact O-N 2.94Å; I41-Q44 PolarHBondContact O-N 3.23Å; Q44-A46 VanDerWaalsContact C-N 3.33Å; Q44-K47 PolarHBondContact O-N 3.36Å; Q44-L48 PolarHBondContact O-N 3.19Å |
| 45 | L | 94.9 | Very high | 93.5 | Very high | 118 Ų | 118 | 88.5 Ų | 88.5 | 62% | 0.618 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62 | -42.8 | 173.3 | -120.6 | 91.3 | 0 | 0 | 0 | 111.5 | I41 A42 L48 A49 | I41-L45 HydrophobicContact CG2-CD1 4.36Å; I41-L45 PolarHBondContact O-N 3.32Å; A42-L45 PolarHBondContact O-N 3.05Å; L45-L48 PolarHBondContact O-N 2.9Å; L45-A49 WeakPolarHBondContact O-CB 3.37Å; L45-A49 PolarHBondContact O-N 3.29Å |
| 46 | A | 95.3 | Very high | 94 | Very high | 60 Ų | 60 | 91.6 Ų | 91.6 | 50% | 0.496 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.8 | -43 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A42 E43 Q44 L48 A49 Q50 | A42-A46 WeakPolarHBondContact O-CB 3.49Å; A42-A46 PolarHBondContact O-N 3.36Å; E43-A46 PolarHBondContact O-N 3.26Å; Q44-A46 VanDerWaalsContact C-N 3.33Å; A46-L48 PolarHBondContact O-N 2.87Å; A46-A49 PolarHBondContact O-N 3.41Å; A46-Q50 WeakPolarHBondContact O-CB 3.45Å; A46-Q50 PolarHBondContact O-N 2.93Å |
| 47 | K | 96.1 | Very high | 94.4 | Very high | 98 Ų | 98 | 93.9 Ų | 93.9 | 43% | 0.426 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.4 | -41.9 | 174.2 | -77 | 169.5 | 171.2 | 164.2 | 0 | 112.2 | E43 Q44 Q50 G51 | E43-K47 WeakPolarHBondContact O-CG 3.39Å; E43-K47 PolarHBondContact O-N 3.45Å; E43-K47 WeakPolarHBondContact OE1-CE 3.2Å; E43-K47 IonicContact OE1-NZ 2.65Å; E43-K47 PolarHBondContact OE1-NZ 3.11Å; Q44-K47 PolarHBondContact O-N 3.36Å; K47-Q50 PolarHBondContact O-N 2.9Å; K47-G51 PolarHBondContact O-N 2.91Å |
| 48 | L | 96.9 | Very high | 94.6 | Very high | 115 Ų | 115 | 92.9 Ų | 92.9 | 60% | 0.602 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65 | -46.3 | 176.7 | -177.4 | 62.5 | 0 | 0 | 0 | 111.7 | Q44 L45 A46 Q50 G51 I52 | Q44-L48 PolarHBondContact O-N 3.19Å; L45-L48 PolarHBondContact O-N 2.9Å; A46-L48 PolarHBondContact O-N 2.87Å; L48-Q50 VanDerWaalsContact C-N 3.28Å; L48-Q50 PolarHBondContact O-N 3.38Å; L48-G51 PolarHBondContact O-N 2.88Å; L48-G51 VanDerWaalsContact O-N 3.11Å; L48-I52 HydrophobicContact CG-CD1 4.18Å; L48-I52 WeakPolarHBondContact O-CG1 3.39Å; L48-I52 PolarHBondContact O-N 3.5Å |
| 49 | A | 96.5 | Very high | 94.8 | Very high | 52 Ų | 52 | 92.4 Ų | 92.4 | 43% | 0.43 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.7 | -38.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L45 A46 I52 S53 | L45-A49 WeakPolarHBondContact O-CB 3.37Å; L45-A49 PolarHBondContact O-N 3.29Å; A46-A49 PolarHBondContact O-N 3.41Å; A49-I52 PolarHBondContact O-N 2.9Å; A49-S53 PolarHBondContact O-N 2.96Å; A49-S53 PolarHBondContact O-OG 3.45Å |
| 50 | Q | 97.1 | Very high | 94.9 | Very high | 115 Ų | 115 | 95.5 Ų | 95.5 | 54% | 0.537 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.6 | -44.5 | 172.4 | -174.5 | 179.6 | 13.4 | 0 | 0 | 111.6 | A46 K47 L48 S53 Q54 | A46-Q50 WeakPolarHBondContact O-CB 3.45Å; A46-Q50 PolarHBondContact O-N 2.93Å; K47-Q50 PolarHBondContact O-N 2.9Å; L48-Q50 VanDerWaalsContact C-N 3.28Å; L48-Q50 PolarHBondContact O-N 3.38Å; Q50-S53 PolarHBondContact O-N 3.39Å; Q50-Q54 WeakPolarHBondContact O-CG 3.42Å; Q50-Q54 PolarHBondContact O-N 2.92Å |
| 51 | G | 97.2 | Very high | 94.7 | Very high | 33 Ų | 33 | 95.5 Ų | 95.5 | 34% | 0.34 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.4 | -43 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | K47 L48 S53 Q54 L55 | K47-G51 PolarHBondContact O-N 2.91Å; L48-G51 PolarHBondContact O-N 2.88Å; L48-G51 VanDerWaalsContact O-N 3.11Å; G51-S53 PolarHBondContact O-N 3.27Å; G51-Q54 PolarHBondContact O-N 3.4Å; G51-L55 WeakPolarHBondContact O-CB 3.22Å; G51-L55 PolarHBondContact O-N 3.5Å |
| 52 | I | 96.7 | Very high | 94.6 | Very high | 105 Ų | 105 | 97.1 Ų | 97.1 | 54% | 0.538 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.1 | -45.8 | 174.8 | -67.6 | 167 | 0 | 0 | 0 | 110.4 | L48 A49 Q54 L55 D56 | L48-I52 HydrophobicContact CG-CD1 4.18Å; L48-I52 WeakPolarHBondContact O-CG1 3.39Å; L48-I52 PolarHBondContact O-N 3.5Å; A49-I52 PolarHBondContact O-N 2.9Å; I52-Q54 VanDerWaalsContact C-N 3.31Å; I52-Q54 PolarHBondContact O-N 3.29Å; I52-L55 PolarHBondContact O-N 3.01Å; I52-D56 WeakPolarHBondContact O-CB 3.46Å; I52-D56 PolarHBondContact O-N 3.01Å |
| 53 | S | 97 | Very high | 94.2 | Very high | 69 Ų | 69 | 97.9 Ų | 97.9 | 48% | 0.483 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.6 | -33.4 | 179.1 | -61.8 | 0 | 0 | 0 | 0 | 112.8 | A49 Q50 G51 K57 | A49-S53 PolarHBondContact O-N 2.96Å; A49-S53 PolarHBondContact O-OG 3.45Å; Q50-S53 PolarHBondContact O-N 3.39Å; G51-S53 PolarHBondContact O-N 3.27Å; S53-K57 WeakPolarHBondContact O-CG 3.4Å; S53-K57 PolarHBondContact O-N 3.31Å |
| 54 | Q | 96.9 | Very high | 93.8 | Very high | 116 Ų | 116 | 96.8 Ų | 96.8 | 54% | 0.542 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.8 | -43.9 | 173.8 | -75.7 | 177.9 | 7.5 | 0 | 0 | 111.4 | Q50 G51 I52 D56 K57 E58 | Q50-Q54 WeakPolarHBondContact O-CG 3.42Å; Q50-Q54 PolarHBondContact O-N 2.92Å; G51-Q54 PolarHBondContact O-N 3.4Å; I52-Q54 VanDerWaalsContact C-N 3.31Å; I52-Q54 PolarHBondContact O-N 3.29Å; Q54-D56 VanDerWaalsContact C-N 3.31Å; Q54-D56 PolarHBondContact O-N 3.19Å; Q54-K57 PolarHBondContact O-N 3.26Å; Q54-E58 WeakPolarHBondContact O-CB 3.42Å; Q54-E58 PolarHBondContact O-N 2.89Å |
| 55 | L | 96.4 | Very high | 93.3 | Very high | 119 Ų | 119 | 94.9 Ų | 94.9 | 62% | 0.623 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.2 | -41.9 | 176.6 | -174.9 | 65.5 | 0 | 0 | 0 | 111.3 | G51 I52 E58 L59 | G51-L55 WeakPolarHBondContact O-CB 3.22Å; G51-L55 PolarHBondContact O-N 3.5Å; I52-L55 PolarHBondContact O-N 3.01Å; L55-E58 PolarHBondContact O-N 3.47Å; L55-L59 VanDerWaalsContact O-CB 3.22Å; L55-L59 WeakPolarHBondContact O-CB 3.44Å; L55-L59 PolarHBondContact O-N 3.32Å |
| 56 | D | 95.6 | Very high | 92.7 | Very high | 109 Ų | 109 | 97.7 Ų | 97.7 | 58% | 0.583 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.9 | -44.2 | 177.4 | -170.5 | 61 | 0 | 0 | 0 | 112 | I52 Q54 L59 H60 | I52-D56 WeakPolarHBondContact O-CB 3.46Å; I52-D56 PolarHBondContact O-N 3.01Å; Q54-D56 VanDerWaalsContact C-N 3.31Å; Q54-D56 PolarHBondContact O-N 3.19Å; D56-L59 PolarHBondContact O-N 2.89Å; D56-H60 WeakPolarHBondContact O-CB 3.41Å; D56-H60 PolarHBondContact O-N 3.44Å |
| 57 | K | 95.1 | Very high | 92.1 | Very high | 158 Ų | 158 | 100 Ų | 100 | 69% | 0.687 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.4 | -44.6 | 174.6 | -77.7 | -179.7 | 179.9 | -178.8 | 0 | 112.8 | S53 Q54 H60 S61 | S53-K57 WeakPolarHBondContact O-CG 3.4Å; S53-K57 PolarHBondContact O-N 3.31Å; Q54-K57 PolarHBondContact O-N 3.26Å; K57-H60 PolarHBondContact O-N 3.21Å; K57-S61 WeakPolarHBondContact O-CB 3.26Å; K57-S61 PolarHBondContact O-N 3.47Å |
| 58 | E | 93.9 | Very high | 91.4 | Very high | 100 Ų | 100 | 102.8 Ų | 102.8 | 47% | 0.467 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.9 | -44.2 | 179.9 | -176.6 | 57.5 | -146.9 | 0 | 0 | 110.8 | Q54 L55 H60 S61 Q62 | Q54-E58 WeakPolarHBondContact O-CB 3.42Å; Q54-E58 PolarHBondContact O-N 2.89Å; L55-E58 PolarHBondContact O-N 3.47Å; E58-H60 VanDerWaalsContact C-N 3.35Å; E58-H60 PolarHBondContact O-N 2.89Å; E58-S61 PolarHBondContact O-N 3.42Å; E58-Q62 WeakPolarHBondContact O-CG 3.32Å; E58-Q62 PolarHBondContact O-N 2.84Å; E58-Q62 PolarHBondContact OE1-NE2 2.87Å |
| 59 | L | 92 | Very high | 90.8 | Very high | 100 Ų | 100 | 102.1 Ų | 102.1 | 52% | 0.524 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.4 | -46.3 | 175.5 | -167.3 | 156.6 | 0 | 0 | 0 | 110.5 | L55 D56 S61 Q62 V63 | L55-L59 VanDerWaalsContact O-CB 3.22Å; L55-L59 WeakPolarHBondContact O-CB 3.44Å; L55-L59 PolarHBondContact O-N 3.32Å; D56-L59 PolarHBondContact O-N 2.89Å; L59-S61 VanDerWaalsContact C-N 3.34Å; L59-S61 PolarHBondContact O-N 2.87Å; L59-Q62 PolarHBondContact O-N 3.46Å; L59-V63 HydrophobicContact CD2-CG2 3.83Å; L59-V63 WeakPolarHBondContact O-CB 3.38Å; L59-V63 VanDerWaalsContact O-CG2 3.26Å; L59-V63 WeakPolarHBondContact O-CG2 3.43Å; L59-V63 PolarHBondContact O-N 3.49Å |
| 60 | H | 91 | Very high | 90.2 | Very high | 124 Ų | 124 | 104.6 Ų | 104.6 | 57% | 0.574 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -59.7 | -44.2 | 175.5 | -171.4 | 75.8 | 0 | 0 | 0 | 111.9 | D56 K57 E58 Q62 V63 V64 | D56-H60 WeakPolarHBondContact O-CB 3.41Å; D56-H60 PolarHBondContact O-N 3.44Å; K57-H60 PolarHBondContact O-N 3.21Å; E58-H60 VanDerWaalsContact C-N 3.35Å; E58-H60 PolarHBondContact O-N 2.89Å; H60-Q62 PolarHBondContact O-N 3.35Å; H60-V63 PolarHBondContact O-N 3.45Å; H60-V64 WeakPolarHBondContact O-CB 3.42Å; H60-V64 VanDerWaalsContact O-CG2 3.26Å; H60-V64 WeakPolarHBondContact O-CG2 3.38Å; H60-V64 PolarHBondContact O-N 3.16Å |
| 61 | S | 89.7 | Confident | 89.7 | Confident | 69 Ų | 69 | 103.8 Ų | 103.8 | 48% | 0.483 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.5 | -44.6 | 177.6 | -173 | 0 | 0 | 0 | 0 | 112 | K57 E58 L59 V64 A65 | K57-S61 WeakPolarHBondContact O-CB 3.26Å; K57-S61 PolarHBondContact O-N 3.47Å; E58-S61 PolarHBondContact O-N 3.42Å; L59-S61 VanDerWaalsContact C-N 3.34Å; L59-S61 PolarHBondContact O-N 2.87Å; S61-V64 PolarHBondContact O-N 2.89Å; S61-A65 WeakPolarHBondContact O-CB 3.26Å; S61-A65 PolarHBondContact O-N 2.9Å |
| 62 | Q | 87.5 | Confident | 89.1 | Confident | 109 Ų | 109 | 105.3 Ų | 105.3 | 51% | 0.509 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -66 | -40.1 | 177.4 | -71.3 | -178.4 | 25.7 | 0 | 0 | 112.5 | E58 L59 H60 R66 | E58-Q62 WeakPolarHBondContact O-CG 3.32Å; E58-Q62 PolarHBondContact O-N 2.84Å; E58-Q62 PolarHBondContact OE1-NE2 2.87Å; L59-Q62 PolarHBondContact O-N 3.46Å; H60-Q62 PolarHBondContact O-N 3.35Å; Q62-R66 PolarHBondContact O-N 3.47Å; Q62-R66 VanDerWaalsContact O-N 3.16Å |
| 63 | V | 85 | Confident | 88.7 | Confident | 77 Ų | 77 | 106.3 Ų | 106.3 | 47% | 0.467 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.9 | -47.9 | 176.4 | 168.9 | 0 | 0 | 0 | 0 | 110.4 | L59 H60 R66 H67 | L59-V63 HydrophobicContact CD2-CG2 3.83Å; L59-V63 WeakPolarHBondContact O-CB 3.38Å; L59-V63 VanDerWaalsContact O-CG2 3.26Å; L59-V63 WeakPolarHBondContact O-CG2 3.43Å; L59-V63 PolarHBondContact O-N 3.49Å; H60-V63 PolarHBondContact O-N 3.45Å; V63-R66 PolarHBondContact O-N 2.83Å; V63-H67 WeakPolarHBondContact O-CB 3.21Å; V63-H67 PolarHBondContact O-N 3.36Å |
| 64 | V | 85.3 | Confident | 88.3 | Confident | 79 Ų | 79 | 105.5 Ų | 105.5 | 48% | 0.479 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -63.6 | -44.9 | 178.7 | 171.2 | 0 | 0 | 0 | 0 | 111.1 | H60 S61 R66 H67 | H60-V64 WeakPolarHBondContact O-CB 3.42Å; H60-V64 VanDerWaalsContact O-CG2 3.26Å; H60-V64 WeakPolarHBondContact O-CG2 3.38Å; H60-V64 PolarHBondContact O-N 3.16Å; S61-V64 PolarHBondContact O-N 2.89Å; V64-R66 PolarHBondContact O-N 2.99Å; V64-H67 PolarHBondContact O-N 3.35Å; V64-H67 VanDerWaalsContact O-N 3.11Å |
| 65 | A | 82.5 | Confident | 87.9 | Confident | 67 Ų | 67 | 104.1 Ų | 104.1 | 55% | 0.554 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -59.9 | -34.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S61 | S61-A65 WeakPolarHBondContact O-CB 3.26Å; S61-A65 PolarHBondContact O-N 2.9Å |
| 66 | R | 82.9 | Confident | 87.7 | Confident | 178 Ų | 178 | 100.4 Ų | 100.4 | 67% | 0.672 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -91.3 | -9.8 | 177.7 | -69.2 | -168.3 | 176.1 | -150 | 0.6 | 114.1 | Q62 V63 V64 D69 L70 | Q62-R66 PolarHBondContact O-N 3.47Å; Q62-R66 VanDerWaalsContact O-N 3.16Å; V63-R66 PolarHBondContact O-N 2.83Å; V64-R66 PolarHBondContact O-N 2.99Å; R66-D69 PolarHBondContact O-N 3.01Å; R66-L70 HydrophobicContact CB-CD1 4.4Å; R66-L70 WeakPolarHBondContact O-CD1 3.36Å; R66-L70 PolarHBondContact O-N 2.87Å |
| 67 | H | 83.4 | Confident | 87.6 | Confident | 107 Ų | 107 | 100.5 Ų | 100.5 | 50% | 0.495 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -69.9 | -41.8 | -173.6 | -146 | 63.3 | 0 | 0 | 0 | 112 | V63 V64 L70 L71 | V63-H67 WeakPolarHBondContact O-CB 3.21Å; V63-H67 PolarHBondContact O-N 3.36Å; V64-H67 PolarHBondContact O-N 3.35Å; V64-H67 VanDerWaalsContact O-N 3.11Å; H67-L70 PolarHBondContact O-N 2.95Å; H67-L71 WeakPolarHBondContact O-CB 3.26Å; H67-L71 WeakPolarHBondContact O-CG 3.25Å; H67-L71 PolarHBondContact O-N 3.37Å |
| 68 | E | 79.9 | Confident | 87.5 | Confident | 158 Ų | 158 | 99.5 Ų | 99.5 | 74% | 0.738 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.8 | -42 | 176.4 | -69.3 | -164 | 163.8 | 0 | 0 | 111.6 | L71 A72 | E68-L71 PolarHBondContact O-N 3.11Å; E68-A72 VanDerWaalsContact O-CB 3.26Å; E68-A72 WeakPolarHBondContact O-CB 3.35Å; E68-A72 PolarHBondContact O-N 3.26Å |
| 69 | D | 85 | Confident | 87.5 | Confident | 100 Ų | 100 | 98.7 Ų | 98.7 | 54% | 0.535 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.6 | -43.9 | 177.1 | -73.4 | -17.8 | 0 | 0 | 0 | 112 | R66 A72 Q73 | R66-D69 PolarHBondContact O-N 3.01Å; D69-A72 PolarHBondContact O-N 3.42Å; D69-Q73 WeakPolarHBondContact O-CB 3.41Å; D69-Q73 VanDerWaalsContact O-CG 3.25Å; D69-Q73 WeakPolarHBondContact O-CG 3.36Å; D69-Q73 PolarHBondContact O-N 3.47Å |
| 70 | L | 84.2 | Confident | 87.6 | Confident | 105 Ų | 105 | 98.8 Ų | 98.8 | 55% | 0.55 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.5 | -40.5 | 177.1 | -100.3 | 74.8 | 0 | 0 | 0 | 111.9 | R66 H67 Q73 A74 | R66-L70 HydrophobicContact CB-CD1 4.4Å; R66-L70 WeakPolarHBondContact O-CD1 3.36Å; R66-L70 PolarHBondContact O-N 2.87Å; H67-L70 PolarHBondContact O-N 2.95Å; L70-Q73 PolarHBondContact O-N 2.87Å; L70-A74 WeakPolarHBondContact O-CB 3.37Å; L70-A74 PolarHBondContact O-N 2.88Å |
| 71 | L | 86.1 | Confident | 87.9 | Confident | 97 Ų | 97 | 99.1 Ų | 99.1 | 51% | 0.508 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.8 | -45.5 | 176 | -76.8 | 170.1 | 0 | 0 | 0 | 111.1 | H67 E68 Q73 A74 T75 | H67-L71 WeakPolarHBondContact O-CB 3.26Å; H67-L71 WeakPolarHBondContact O-CG 3.25Å; H67-L71 PolarHBondContact O-N 3.37Å; E68-L71 PolarHBondContact O-N 3.11Å; L71-Q73 VanDerWaalsContact C-N 3.31Å; L71-Q73 PolarHBondContact O-N 3.21Å; L71-A74 PolarHBondContact O-N 3.45Å; L71-T75 PolarHBondContact O-N 3.18Å; L71-T75 PolarHBondContact O-OG1 3.24Å; L71-T75 VanDerWaalsContact O-OG1 3.07Å |
| 72 | A | 85.9 | Confident | 88.2 | Confident | 66 Ų | 66 | 97.9 Ų | 97.9 | 55% | 0.545 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -60.6 | -40.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | E68 D69 G76 | E68-A72 VanDerWaalsContact O-CB 3.26Å; E68-A72 WeakPolarHBondContact O-CB 3.35Å; E68-A72 PolarHBondContact O-N 3.26Å; D69-A72 PolarHBondContact O-N 3.42Å; A72-G76 PolarHBondContact O-N 3.41Å |
| 73 | Q | 88.3 | Confident | 88.6 | Confident | 125 Ų | 125 | 95.4 Ų | 95.4 | 58% | 0.584 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.1 | -44.8 | 173.2 | -76.7 | 176 | 22.2 | 0 | 0 | 112 | D69 L70 L71 G76 I77 | D69-Q73 WeakPolarHBondContact O-CB 3.41Å; D69-Q73 VanDerWaalsContact O-CG 3.25Å; D69-Q73 WeakPolarHBondContact O-CG 3.36Å; D69-Q73 PolarHBondContact O-N 3.47Å; L70-Q73 PolarHBondContact O-N 2.87Å; L71-Q73 VanDerWaalsContact C-N 3.31Å; L71-Q73 PolarHBondContact O-N 3.21Å; Q73-G76 PolarHBondContact O-N 3.44Å; Q73-I77 VanDerWaalsContact O-CG1 3.28Å; Q73-I77 WeakPolarHBondContact O-CG1 3.28Å; Q73-I77 PolarHBondContact O-N 3.18Å |
| 74 | A | 87.9 | Confident | 89.2 | Confident | 53 Ų | 53 | 96.6 Ų | 96.6 | 44% | 0.438 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.6 | -46.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L70 L71 G76 I77 E78 | L70-A74 WeakPolarHBondContact O-CB 3.37Å; L70-A74 PolarHBondContact O-N 2.88Å; L71-A74 PolarHBondContact O-N 3.45Å; A74-G76 VanDerWaalsContact C-N 3.31Å; A74-G76 PolarHBondContact O-N 3.07Å; A74-I77 PolarHBondContact O-N 2.88Å; A74-E78 PolarHBondContact O-N 2.89Å |
| 75 | T | 89.1 | Confident | 89.8 | Confident | 87 Ų | 87 | 99 Ų | 99 | 53% | 0.534 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.2 | -36.8 | 174.4 | -52.5 | 0 | 0 | 0 | 0 | 111.8 | L71 E78 S79 | L71-T75 PolarHBondContact O-N 3.18Å; L71-T75 PolarHBondContact O-OG1 3.24Å; L71-T75 VanDerWaalsContact O-OG1 3.07Å; T75-E78 PolarHBondContact O-N 2.87Å; T75-S79 PolarHBondContact O-N 3.48Å |
| 76 | G | 91.8 | Very high | 90.5 | Very high | 40 Ų | 40 | 99.9 Ų | 99.9 | 41% | 0.412 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.1 | -40.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A72 Q73 A74 S79 L80 | A72-G76 PolarHBondContact O-N 3.41Å; Q73-G76 PolarHBondContact O-N 3.44Å; A74-G76 VanDerWaalsContact C-N 3.31Å; A74-G76 PolarHBondContact O-N 3.07Å; G76-S79 PolarHBondContact O-N 3.17Å; G76-L80 WeakPolarHBondContact O-CB 3.42Å; G76-L80 PolarHBondContact O-N 3.42Å |
| 77 | I | 93.1 | Very high | 91.2 | Very high | 112 Ų | 112 | 96.4 Ų | 96.4 | 57% | 0.574 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.5 | -45.1 | 176.2 | -69.6 | 164.8 | 0 | 0 | 0 | 110.8 | Q73 A74 S79 L80 E81 | Q73-I77 VanDerWaalsContact O-CG1 3.28Å; Q73-I77 WeakPolarHBondContact O-CG1 3.28Å; Q73-I77 PolarHBondContact O-N 3.18Å; A74-I77 PolarHBondContact O-N 2.88Å; I77-S79 VanDerWaalsContact C-N 3.33Å; I77-S79 PolarHBondContact O-N 3.48Å; I77-L80 PolarHBondContact O-N 3.04Å; I77-E81 PolarHBondContact O-N 3.42Å |
| 78 | E | 93.3 | Very high | 91.9 | Very high | 137 Ų | 137 | 96.3 Ų | 96.3 | 64% | 0.64 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.6 | -42.7 | 177.2 | -174.3 | -179.8 | -171.6 | 0 | 0 | 111.7 | A74 T75 L80 E81 G82 | A74-E78 PolarHBondContact O-N 2.89Å; T75-E78 PolarHBondContact O-N 2.87Å; E78-L80 PolarHBondContact O-N 2.87Å; E78-E81 PolarHBondContact O-N 3.46Å; E78-G82 PolarHBondContact O-N 3Å; E78-G82 VanDerWaalsContact O-N 3.12Å |
| 79 | S | 93.6 | Very high | 92.7 | Very high | 82 Ų | 82 | 93.1 Ų | 93.1 | 57% | 0.573 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.5 | -43.6 | 174.3 | -176.5 | 0 | 0 | 0 | 0 | 112.1 | T75 G76 I77 E81 G82 V83 | T75-S79 PolarHBondContact O-N 3.48Å; G76-S79 PolarHBondContact O-N 3.17Å; I77-S79 VanDerWaalsContact C-N 3.33Å; I77-S79 PolarHBondContact O-N 3.48Å; S79-E81 VanDerWaalsContact C-N 3.34Å; S79-E81 PolarHBondContact O-N 3.44Å; S79-G82 PolarHBondContact O-N 3Å; S79-V83 PolarHBondContact O-N 3.47Å; S79-V83 VanDerWaalsContact O-N 3.12Å |
| 80 | L | 95.2 | Very high | 93.3 | Very high | 103 Ų | 103 | 96.2 Ų | 96.2 | 54% | 0.539 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.3 | -39.2 | 178 | -176.4 | 63.4 | 0 | 0 | 0 | 111.9 | G76 I77 E78 G82 V83 L84 | G76-L80 WeakPolarHBondContact O-CB 3.42Å; G76-L80 PolarHBondContact O-N 3.42Å; I77-L80 PolarHBondContact O-N 3.04Å; E78-L80 PolarHBondContact O-N 2.87Å; L80-G82 VanDerWaalsContact C-N 3.32Å; L80-G82 PolarHBondContact O-N 3.24Å; L80-V83 PolarHBondContact O-N 3.49Å; L80-L84 HydrophobicContact CG-CD1 4.27Å; L80-L84 WeakPolarHBondContact O-CG 3.44Å; L80-L84 PolarHBondContact O-N 2.88Å |
| 81 | E | 96.1 | Very high | 94 | Very high | 131 Ų | 131 | 95.1 Ų | 95.1 | 61% | 0.612 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -58.8 | -43.7 | 174.2 | -173.1 | 174.6 | -175.8 | 0 | 0 | 111.2 | I77 E78 S79 V83 L84 Q85 | I77-E81 PolarHBondContact O-N 3.42Å; E78-E81 PolarHBondContact O-N 3.46Å; S79-E81 VanDerWaalsContact C-N 3.34Å; S79-E81 PolarHBondContact O-N 3.44Å; E81-V83 PolarHBondContact O-N 3.25Å; E81-L84 PolarHBondContact O-N 2.85Å; E81-Q85 WeakPolarHBondContact O-CB 3.49Å; E81-Q85 PolarHBondContact O-N 3.12Å |
| 82 | G | 95.8 | Very high | 94.6 | Very high | 43 Ų | 43 | 93 Ų | 93 | 44% | 0.443 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.4 | -42.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | E78 S79 L80 Q85 M86 | E78-G82 PolarHBondContact O-N 3Å; E78-G82 VanDerWaalsContact O-N 3.12Å; S79-G82 PolarHBondContact O-N 3Å; L80-G82 VanDerWaalsContact C-N 3.32Å; L80-G82 PolarHBondContact O-N 3.24Å; G82-Q85 PolarHBondContact O-N 3.12Å; G82-M86 PolarHBondContact O-N 3.05Å |
| 83 | V | 96.3 | Very high | 95.2 | Very high | 57 Ų | 57 | 92.8 Ų | 92.8 | 35% | 0.345 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.9 | -44.1 | 175.8 | 175 | 0 | 0 | 0 | 0 | 111.2 | S79 L80 E81 Q85 M86 M87 | S79-V83 PolarHBondContact O-N 3.47Å; S79-V83 VanDerWaalsContact O-N 3.12Å; L80-V83 PolarHBondContact O-N 3.49Å; E81-V83 PolarHBondContact O-N 3.25Å; V83-Q85 VanDerWaalsContact C-N 3.35Å; V83-Q85 PolarHBondContact O-N 3.5Å; V83-M86 WeakPolarHBondContact O-CB 3.43Å; V83-M86 PolarHBondContact O-N 3.12Å; V83-M87 HydrophobicContact CG1-CE 4.13Å; V83-M87 WeakPolarHBondContact O-CG 3.31Å; V83-M87 PolarHBondContact O-N 3.34Å |
| 84 | L | 97.2 | Very high | 95.6 | Very high | 102 Ų | 102 | 92.4 Ų | 92.4 | 53% | 0.534 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.3 | -42.2 | 177.6 | -75.6 | 171.3 | 0 | 0 | 0 | 111.6 | L80 E81 M86 M87 Q88 | L80-L84 HydrophobicContact CG-CD1 4.27Å; L80-L84 WeakPolarHBondContact O-CG 3.44Å; L80-L84 PolarHBondContact O-N 2.88Å; E81-L84 PolarHBondContact O-N 2.85Å; L84-M86 VanDerWaalsContact C-N 3.31Å; L84-M86 PolarHBondContact O-N 3.46Å; L84-M87 PolarHBondContact O-N 3.35Å; L84-Q88 WeakPolarHBondContact O-CB 3.45Å; L84-Q88 PolarHBondContact O-N 2.88Å |
| 85 | Q | 97.6 | Very high | 96.1 | Very high | 129 Ų | 129 | 95.5 Ų | 95.5 | 60% | 0.603 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.2 | -40.4 | 176 | -165.3 | 69.6 | -1.9 | 0 | 0 | 111.8 | E81 G82 V83 Q88 T89 | E81-Q85 WeakPolarHBondContact O-CB 3.49Å; E81-Q85 PolarHBondContact O-N 3.12Å; G82-Q85 PolarHBondContact O-N 3.12Å; V83-Q85 VanDerWaalsContact C-N 3.35Å; V83-Q85 PolarHBondContact O-N 3.5Å; Q85-Q88 PolarHBondContact O-N 3.26Å; Q85-T89 PolarHBondContact O-N 3.43Å; Q85-T89 PolarHBondContact O-OG1 3.12Å |
| 86 | M | 97.1 | Very high | 96.6 | Very high | 86 Ų | 86 | 93.6 Ų | 93.6 | 42% | 0.424 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.4 | -42.8 | 174.6 | -178.7 | 176.4 | 58.4 | 0 | 0 | 111.7 | G82 V83 L84 T89 R90 | G82-M86 PolarHBondContact O-N 3.05Å; V83-M86 WeakPolarHBondContact O-CB 3.43Å; V83-M86 PolarHBondContact O-N 3.12Å; L84-M86 VanDerWaalsContact C-N 3.31Å; L84-M86 PolarHBondContact O-N 3.46Å; M86-T89 PolarHBondContact O-N 2.86Å; M86-R90 WeakPolarHBondContact O-CG 3.42Å; M86-R90 PolarHBondContact O-N 3.43Å; M86-R90 PolarHBondContact SD-NH2 3.14Å |
| 87 | M | 97.8 | Very high | 96.9 | Very high | 104 Ų | 104 | 93.7 Ų | 93.7 | 51% | 0.512 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.2 | -46.3 | 175.4 | -75.2 | -171.5 | 173.4 | 0 | 0 | 111.3 | V83 L84 T89 R90 I91 | V83-M87 HydrophobicContact CG1-CE 4.13Å; V83-M87 WeakPolarHBondContact O-CG 3.31Å; V83-M87 PolarHBondContact O-N 3.34Å; L84-M87 PolarHBondContact O-N 3.35Å; M87-T89 VanDerWaalsContact C-N 3.3Å; M87-T89 PolarHBondContact O-N 2.86Å; M87-R90 PolarHBondContact O-N 3.21Å; M87-R90 VanDerWaalsContact O-N 3.12Å; M87-I91 VanDerWaalsContact O-CG1 3.31Å; M87-I91 WeakPolarHBondContact O-CG1 3.4Å; M87-I91 PolarHBondContact O-N 3.42Å |
| 88 | Q | 97.9 | Very high | 97.1 | Very high | 106 Ų | 106 | 91.8 Ų | 91.8 | 50% | 0.495 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -57.2 | -44.7 | 177.4 | -175.2 | 60.7 | 21.5 | 0 | 0 | 111.5 | L84 Q85 R90 I91 S92 | L84-Q88 WeakPolarHBondContact O-CB 3.45Å; L84-Q88 PolarHBondContact O-N 2.88Å; Q85-Q88 PolarHBondContact O-N 3.26Å; Q88-R90 PolarHBondContact O-N 2.9Å; Q88-I91 PolarHBondContact O-N 2.92Å; Q88-S92 PolarHBondContact O-N 3.37Å; Q88-S92 PolarHBondContact O-OG 3.24Å; Q88-S92 VanDerWaalsContact O-OG 3.1Å |
| 89 | T | 98 | Very high | 97.3 | Very high | 90 Ų | 90 | 90 Ų | 90 | 55% | 0.552 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.2 | -44.1 | 177 | -55.9 | 0 | 0 | 0 | 0 | 111.6 | Q85 M86 M87 S92 A93 | Q85-T89 PolarHBondContact O-N 3.43Å; Q85-T89 PolarHBondContact O-OG1 3.12Å; M86-T89 PolarHBondContact O-N 2.86Å; M87-T89 VanDerWaalsContact C-N 3.3Å; M87-T89 PolarHBondContact O-N 2.86Å; T89-S92 PolarHBondContact O-N 3.33Å; T89-A93 PolarHBondContact O-N 3.45Å |
| 90 | R | 97.8 | Very high | 97.6 | Very high | 165 Ų | 165 | 94.3 Ų | 94.3 | 62% | 0.623 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66.2 | -40.6 | 178.6 | -70.4 | 175.1 | -175.1 | -159.4 | 3.5 | 112.3 | M86 M87 Q88 A93 L94 | M86-R90 WeakPolarHBondContact O-CG 3.42Å; M86-R90 PolarHBondContact O-N 3.43Å; M86-R90 PolarHBondContact SD-NH2 3.14Å; M87-R90 PolarHBondContact O-N 3.21Å; M87-R90 VanDerWaalsContact O-N 3.12Å; Q88-R90 PolarHBondContact O-N 2.9Å; R90-A93 PolarHBondContact O-N 2.98Å; R90-L94 WeakPolarHBondContact O-CB 3.49Å; R90-L94 PolarHBondContact O-N 3.05Å |
| 91 | I | 98.3 | Very high | 97.6 | Very high | 83 Ų | 83 | 94.2 Ų | 94.2 | 43% | 0.426 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.2 | -47.7 | 176.3 | -69.6 | 165.4 | 0 | 0 | 0 | 110 | M87 Q88 A93 L94 Q95 | M87-I91 VanDerWaalsContact O-CG1 3.31Å; M87-I91 WeakPolarHBondContact O-CG1 3.4Å; M87-I91 PolarHBondContact O-N 3.42Å; Q88-I91 PolarHBondContact O-N 2.92Å; I91-A93 VanDerWaalsContact C-N 3.3Å; I91-A93 PolarHBondContact O-N 3.37Å; I91-L94 PolarHBondContact O-N 2.9Å; I91-L94 VanDerWaalsContact O-N 3.14Å; I91-Q95 HydrophobicContact CG2-CG 4.4Å; I91-Q95 WeakPolarHBondContact O-CG 3.33Å; I91-Q95 PolarHBondContact O-N 3Å |
| 92 | S | 98.2 | Very high | 97.7 | Very high | 52 Ų | 52 | 94.5 Ų | 94.5 | 36% | 0.364 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.7 | -41.9 | 176.3 | -64.4 | 0 | 0 | 0 | 0 | 112.1 | Q88 T89 Q95 A96 | Q88-S92 PolarHBondContact O-N 3.37Å; Q88-S92 PolarHBondContact O-OG 3.24Å; Q88-S92 VanDerWaalsContact O-OG 3.1Å; T89-S92 PolarHBondContact O-N 3.33Å; S92-Q95 PolarHBondContact O-N 2.83Å; S92-A96 WeakPolarHBondContact O-CB 3.45Å; S92-A96 PolarHBondContact O-N 3.01Å |
| 93 | A | 98 | Very high | 97.8 | Very high | 62 Ų | 62 | 96 Ų | 96 | 51% | 0.512 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64 | -41.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | T89 R90 I91 A96 A97 | T89-A93 PolarHBondContact O-N 3.45Å; R90-A93 PolarHBondContact O-N 2.98Å; I91-A93 VanDerWaalsContact C-N 3.3Å; I91-A93 PolarHBondContact O-N 3.37Å; A93-A96 PolarHBondContact O-N 3.46Å; A93-A97 PolarHBondContact O-N 3.37Å |
| 94 | L | 98.4 | Very high | 97.9 | Very high | 116 Ų | 116 | 101 Ų | 101 | 61% | 0.607 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.1 | -44.1 | 176.6 | -173.8 | 67.3 | 0 | 0 | 0 | 111.5 | R90 I91 A96 A97 V98 | R90-L94 WeakPolarHBondContact O-CB 3.49Å; R90-L94 PolarHBondContact O-N 3.05Å; I91-L94 PolarHBondContact O-N 2.9Å; I91-L94 VanDerWaalsContact O-N 3.14Å; L94-A96 VanDerWaalsContact C-N 3.32Å; L94-A96 PolarHBondContact O-N 3.38Å; L94-A97 WeakPolarHBondContact O-CB 3.37Å; L94-A97 PolarHBondContact O-N 3.04Å; L94-A97 VanDerWaalsContact O-N 3.12Å; L94-V98 WeakPolarHBondContact O-CG2 3.19Å; L94-V98 PolarHBondContact O-N 3.1Å |
| 95 | Q | 98.3 | Very high | 97.9 | Very high | 119 Ų | 119 | 101.3 Ų | 101.3 | 56% | 0.556 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -58 | -45.4 | 175 | -73.9 | 174.8 | -19.9 | 0 | 0 | 111.2 | I91 S92 A97 V98 E99 | I91-Q95 HydrophobicContact CG2-CG 4.4Å; I91-Q95 WeakPolarHBondContact O-CG 3.33Å; I91-Q95 PolarHBondContact O-N 3Å; S92-Q95 PolarHBondContact O-N 2.83Å; Q95-A97 VanDerWaalsContact C-N 3.31Å; Q95-A97 PolarHBondContact O-N 3.46Å; Q95-V98 PolarHBondContact O-N 3.46Å; Q95-E99 PolarHBondContact O-N 3.08Å |
| 96 | A | 98.3 | Very high | 97.9 | Very high | 47 Ų | 47 | 98.3 Ų | 98.3 | 39% | 0.388 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.5 | -37.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S92 A93 L94 R100 | S92-A96 WeakPolarHBondContact O-CB 3.45Å; S92-A96 PolarHBondContact O-N 3.01Å; A93-A96 PolarHBondContact O-N 3.46Å; L94-A96 VanDerWaalsContact C-N 3.32Å; L94-A96 PolarHBondContact O-N 3.38Å; A96-R100 VanDerWaalsContact O-CG 3.27Å; A96-R100 WeakPolarHBondContact O-CG 3.49Å; A96-R100 PolarHBondContact O-N 3.3Å |
| 97 | A | 97.9 | Very high | 97.9 | Very high | 42 Ų | 42 | 97.3 Ų | 97.3 | 35% | 0.347 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.3 | -41.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | A93 L94 Q95 R100 M101 | A93-A97 PolarHBondContact O-N 3.37Å; L94-A97 WeakPolarHBondContact O-CB 3.37Å; L94-A97 PolarHBondContact O-N 3.04Å; L94-A97 VanDerWaalsContact O-N 3.12Å; Q95-A97 VanDerWaalsContact C-N 3.31Å; Q95-A97 PolarHBondContact O-N 3.46Å; A97-R100 WeakPolarHBondContact O-CB 3.4Å; A97-R100 PolarHBondContact O-N 2.96Å; A97-M101 PolarHBondContact O-N 3.4Å |
| 98 | V | 98.3 | Very high | 97.9 | Very high | 72 Ų | 72 | 94.8 Ų | 94.8 | 44% | 0.436 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.3 | -44.5 | 175.8 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | L94 Q95 R100 M101 R102 | L94-V98 WeakPolarHBondContact O-CG2 3.19Å; L94-V98 PolarHBondContact O-N 3.1Å; Q95-V98 PolarHBondContact O-N 3.46Å; V98-R100 VanDerWaalsContact C-N 3.32Å; V98-R100 PolarHBondContact O-N 2.97Å; V98-M101 HydrophobicContact CG2-CE 4.06Å; V98-M101 WeakPolarHBondContact O-CB 3.43Å; V98-M101 PolarHBondContact O-N 3.39Å; V98-M101 VanDerWaalsContact O-N 3.08Å; V98-R102 PolarHBondContact O-N 3Å |
| 99 | E | 98.3 | Very high | 98 | Very high | 98 Ų | 98 | 96.9 Ų | 96.9 | 46% | 0.458 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.5 | -34.2 | 176.8 | -76.9 | -53.6 | 149.9 | 0 | 0 | 113.1 | Q95 M101 R102 T103 | Q95-E99 PolarHBondContact O-N 3.08Å; E99-M101 VanDerWaalsContact C-N 3.32Å; E99-M101 PolarHBondContact O-N 3.32Å; E99-R102 PolarHBondContact O-N 3.39Å; E99-R102 VanDerWaalsContact OE2-CD 3.28Å; E99-R102 WeakPolarHBondContact OE2-CD 3.37Å; E99-T103 WeakPolarHBondContact O-CG2 3.47Å; E99-T103 PolarHBondContact O-N 2.9Å; E99-T103 PolarHBondContact O-OG1 3.25Å |
| 100 | R | 97.9 | Very high | 98 | Very high | 173 Ų | 173 | 96.9 Ų | 96.9 | 65% | 0.653 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63 | -38.4 | 169.9 | -73.2 | 172.5 | -175 | -159.3 | 2.8 | 112 | A96 A97 V98 T103 K104 | A96-R100 VanDerWaalsContact O-CG 3.27Å; A96-R100 WeakPolarHBondContact O-CG 3.49Å; A96-R100 PolarHBondContact O-N 3.3Å; A97-R100 WeakPolarHBondContact O-CB 3.4Å; A97-R100 PolarHBondContact O-N 2.96Å; V98-R100 VanDerWaalsContact C-N 3.32Å; V98-R100 PolarHBondContact O-N 2.97Å; R100-T103 WeakPolarHBondContact CA-OG1 3.47Å; R100-T103 PolarHBondContact O-OG1 3.42Å; R100-K104 VanDerWaalsContact O-CB 3.28Å; R100-K104 WeakPolarHBondContact O-CB 3.28Å; R100-K104 WeakPolarHBondContact O-CG 3.27Å; R100-K104 PolarHBondContact O-N 3.04Å |
| 101 | M | 97.1 | Very high | 98 | Very high | 101 Ų | 101 | 96 Ų | 96 | 50% | 0.498 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.8 | -42.9 | 175.3 | -75 | -173.4 | -74.7 | 0 | 0 | 111.3 | A97 V98 E99 T103 K104 I105 | A97-M101 PolarHBondContact O-N 3.4Å; V98-M101 HydrophobicContact CG2-CE 4.06Å; V98-M101 WeakPolarHBondContact O-CB 3.43Å; V98-M101 PolarHBondContact O-N 3.39Å; V98-M101 VanDerWaalsContact O-N 3.08Å; E99-M101 VanDerWaalsContact C-N 3.32Å; E99-M101 PolarHBondContact O-N 3.32Å; M101-T103 PolarHBondContact O-N 2.97Å; M101-K104 PolarHBondContact O-N 3.36Å; M101-I105 HydrophobicContact CB-CD1 4.24Å; M101-I105 HydrophobicContact CG-CD1 4.3Å; M101-I105 WeakPolarHBondContact O-CA 3.48Å; M101-I105 WeakPolarHBondContact O-CB 3.44Å; M101-I105 WeakPolarHBondContact O-CG1 3.49Å; M101-I105 PolarHBondContact O-N 2.95Å |
| 102 | R | 97.7 | Very high | 98 | Very high | 137 Ų | 137 | 96.9 Ų | 96.9 | 52% | 0.517 | 49% | 0.493 | S | S | . | . | I | π-helix | trans | -55.2 | -53.8 | 175.1 | -174.2 | -174.7 | -172.8 | 143.1 | 3.3 | 111.6 | V98 E99 K104 V106 D107 | V98-R102 PolarHBondContact O-N 3Å; E99-R102 PolarHBondContact O-N 3.39Å; E99-R102 VanDerWaalsContact OE2-CD 3.28Å; E99-R102 WeakPolarHBondContact OE2-CD 3.37Å; R102-K104 VanDerWaalsContact C-N 3.33Å; R102-K104 PolarHBondContact O-N 3.05Å; R102-V106 HydrophobicContact CG-CB 4.21Å; R102-V106 HydrophobicContact CG-CG2 4.49Å; R102-V106 WeakPolarHBondContact O-CA 3.42Å; R102-V106 WeakPolarHBondContact O-CB 3.37Å; R102-V106 PolarHBondContact O-N 2.94Å; R102-D107 PolarHBondContact O-N 3.34Å |
| 103 | T | 98.2 | Very high | 98 | Very high | 75 Ų | 75 | 97.2 Ų | 97.2 | 46% | 0.46 | 49% | 0.493 | S | S | . | . | I | π-helix | trans | -66.2 | -32.5 | -177.4 | 51.5 | 0 | 0 | 0 | 0 | 113.6 | E99 R100 M101 P108 | E99-T103 WeakPolarHBondContact O-CG2 3.47Å; E99-T103 PolarHBondContact O-N 2.9Å; E99-T103 PolarHBondContact O-OG1 3.25Å; R100-T103 WeakPolarHBondContact CA-OG1 3.47Å; R100-T103 PolarHBondContact O-OG1 3.42Å; M101-T103 PolarHBondContact O-N 2.97Å; T103-P108 WeakPolarHBondContact O-CD 3.48Å |
| 104 | K | 97.5 | Very high | 98 | Very high | 163 Ų | 163 | 95.8 Ų | 95.8 | 71% | 0.709 | 48% | 0.484 | S | S | * | . | I | π-helix | trans | -91.9 | -18.8 | -178.8 | -68.8 | -172.9 | 175.7 | -170.3 | 0 | 114.9 | R100 M101 R102 P108 | R100-K104 VanDerWaalsContact O-CB 3.28Å; R100-K104 WeakPolarHBondContact O-CB 3.28Å; R100-K104 WeakPolarHBondContact O-CG 3.27Å; R100-K104 PolarHBondContact O-N 3.04Å; M101-K104 PolarHBondContact O-N 3.36Å; R102-K104 VanDerWaalsContact C-N 3.33Å; R102-K104 PolarHBondContact O-N 3.05Å; K104-P108 WeakPolarHBondContact O-CG 3.41Å |
| 105 | I | 97.2 | Very high | 98 | Very high | 107 Ų | 107 | 99.1 Ų | 99.1 | 55% | 0.549 | 49% | 0.489 | S | S | . | . | I | π-helix | trans | -121.3 | -58 | -173 | -54 | 176 | 0 | 0 | 0 | 110.6 | M101 P108 Y109 | M101-I105 HydrophobicContact CB-CD1 4.24Å; M101-I105 HydrophobicContact CG-CD1 4.3Å; M101-I105 WeakPolarHBondContact O-CA 3.48Å; M101-I105 WeakPolarHBondContact O-CB 3.44Å; M101-I105 WeakPolarHBondContact O-CG1 3.49Å; M101-I105 PolarHBondContact O-N 2.95Å; I105-P108 WeakPolarHBondContact O-CD 3.45Å; I105-Y109 WeakPolarHBondContact O-CB 3.44Å; I105-Y109 PolarHBondContact O-N 2.92Å |
| 106 | V | 97.4 | Very high | 98 | Very high | 67 Ų | 67 | 98.5 Ų | 98.5 | 41% | 0.406 | 49% | 0.488 | S | S | . | . | I | π-helix | trans | -67.7 | -45.9 | -174 | -179.7 | 0 | 0 | 0 | 0 | 110.9 | R102 Y109 N110 | R102-V106 HydrophobicContact CG-CB 4.21Å; R102-V106 HydrophobicContact CG-CG2 4.49Å; R102-V106 WeakPolarHBondContact O-CA 3.42Å; R102-V106 WeakPolarHBondContact O-CB 3.37Å; R102-V106 PolarHBondContact O-N 2.94Å; V106-Y109 WeakPolarHBondContact O-CB 3.49Å; V106-Y109 PolarHBondContact O-N 2.98Å; V106-N110 PolarHBondContact O-N 2.87Å; V106-N110 PolarHBondContact O-ND2 3.26Å |
| 107 | D | 97.8 | Very high | 98 | Very high | 64 Ų | 64 | 99.2 Ų | 99.2 | 34% | 0.342 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.4 | -45.9 | -178 | -62.5 | -17.4 | 0 | 0 | 0 | 112.6 | R102 Y109 N110 K111 | R102-D107 PolarHBondContact O-N 3.34Å; D107-Y109 VanDerWaalsContact C-N 3.35Å; D107-Y109 PolarHBondContact O-N 2.84Å; D107-N110 PolarHBondContact O-N 3.47Å; D107-K111 WeakPolarHBondContact O-CG 3.28Å; D107-K111 PolarHBondContact O-N 3.06Å |
| 108 | P | 98.1 | Very high | 98 | Very high | 51 Ų | 51 | 103.1 Ų | 103.1 | 33% | 0.331 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.5 | -39.5 | 173.6 | -26.6 | 38.5 | 0 | 0 | 0 | 113 | T103 K104 I105 N110 K111 I112 | T103-P108 WeakPolarHBondContact O-CD 3.48Å; K104-P108 WeakPolarHBondContact O-CG 3.41Å; I105-P108 WeakPolarHBondContact O-CD 3.45Å; P108-N110 PolarHBondContact O-N 2.95Å; P108-K111 WeakPolarHBondContact O-CB 3.22Å; P108-K111 PolarHBondContact O-N 3.45Å; P108-I112 VanDerWaalsContact O-CG1 3.3Å; P108-I112 WeakPolarHBondContact O-CG1 3.3Å; P108-I112 PolarHBondContact O-N 3.32Å |
| 109 | Y | 98.4 | Very high | 98 | Very high | 150 Ų | 150 | 105 Ų | 105 | 59% | 0.588 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -56.7 | -50.3 | 174.9 | 173.6 | -94.1 | 0 | 0 | 0 | 111.1 | I105 V106 D107 K111 I112 V113 | I105-Y109 WeakPolarHBondContact O-CB 3.44Å; I105-Y109 PolarHBondContact O-N 2.92Å; V106-Y109 WeakPolarHBondContact O-CB 3.49Å; V106-Y109 PolarHBondContact O-N 2.98Å; D107-Y109 VanDerWaalsContact C-N 3.35Å; D107-Y109 PolarHBondContact O-N 2.84Å; Y109-K111 VanDerWaalsContact C-N 3.3Å; Y109-K111 PolarHBondContact O-N 3.39Å; Y109-I112 WeakPolarHBondContact O-CB 3.43Å; Y109-I112 PolarHBondContact O-N 3.09Å; Y109-I112 VanDerWaalsContact O-N 3.09Å; Y109-V113 HydrophobicContact CD1-CG2 4.24Å; Y109-V113 HydrophobicContact CE1-CG2 3.77Å; Y109-V113 HydrophobicContact CE2-CG2 4.17Å; Y109-V113 WeakPolarHBondContact O-CG2 3.44Å; Y109-V113 PolarHBondContact O-N 3.37Å |
| 110 | N | 97.9 | Very high | 97.9 | Very high | 90 Ų | 90 | 102.8 Ų | 102.8 | 48% | 0.481 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61 | -38.9 | 178.2 | -72.3 | -26.6 | 0 | 0 | 0 | 112.2 | V106 D107 P108 V113 G114 | V106-N110 PolarHBondContact O-N 2.87Å; V106-N110 PolarHBondContact O-ND2 3.26Å; D107-N110 PolarHBondContact O-N 3.47Å; P108-N110 PolarHBondContact O-N 2.95Å; N110-V113 PolarHBondContact O-N 3.34Å; N110-G114 PolarHBondContact O-N 3.49Å |
| 111 | K | 98 | Very high | 97.9 | Very high | 148 Ų | 148 | 102.9 Ų | 102.9 | 64% | 0.643 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.5 | -41.4 | 174 | -73.6 | 174.8 | -177.6 | 175.2 | 0 | 112.2 | D107 P108 Y109 G114 R115 | D107-K111 WeakPolarHBondContact O-CG 3.28Å; D107-K111 PolarHBondContact O-N 3.06Å; P108-K111 WeakPolarHBondContact O-CB 3.22Å; P108-K111 PolarHBondContact O-N 3.45Å; Y109-K111 VanDerWaalsContact C-N 3.3Å; Y109-K111 PolarHBondContact O-N 3.39Å; K111-G114 PolarHBondContact O-N 3.03Å; K111-R115 WeakPolarHBondContact O-CG 3.33Å; K111-R115 PolarHBondContact O-N 3.22Å |
| 112 | I | 98.3 | Very high | 97.9 | Very high | 100 Ų | 100 | 103.2 Ų | 103.2 | 51% | 0.513 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.8 | -48.4 | 178 | -69.6 | 164.2 | 0 | 0 | 0 | 110.2 | P108 Y109 G114 R115 I116 | P108-I112 VanDerWaalsContact O-CG1 3.3Å; P108-I112 WeakPolarHBondContact O-CG1 3.3Å; P108-I112 PolarHBondContact O-N 3.32Å; Y109-I112 WeakPolarHBondContact O-CB 3.43Å; Y109-I112 PolarHBondContact O-N 3.09Å; Y109-I112 VanDerWaalsContact O-N 3.09Å; I112-G114 VanDerWaalsContact C-N 3.26Å; I112-G114 PolarHBondContact O-N 2.91Å; I112-R115 PolarHBondContact O-N 3.47Å; I112-I116 HydrophobicContact CG2-CD1 3.73Å; I112-I116 HydrophobicContact CG2-CG1 4.26Å; I112-I116 WeakPolarHBondContact O-CG1 3.47Å; I112-I116 PolarHBondContact O-N 3.03Å |
| 113 | V | 98.5 | Very high | 97.8 | Very high | 59 Ų | 59 | 103.2 Ų | 103.2 | 36% | 0.358 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -57.2 | -42.1 | 176.7 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | Y109 N110 R115 I116 T117 | Y109-V113 HydrophobicContact CD1-CG2 4.24Å; Y109-V113 HydrophobicContact CE1-CG2 3.77Å; Y109-V113 HydrophobicContact CE2-CG2 4.17Å; Y109-V113 WeakPolarHBondContact O-CG2 3.44Å; Y109-V113 PolarHBondContact O-N 3.37Å; N110-V113 PolarHBondContact O-N 3.34Å; V113-R115 PolarHBondContact O-N 3.04Å; V113-I116 PolarHBondContact O-N 3.4Å; V113-T117 PolarHBondContact O-N 3.12Å; V113-T117 PolarHBondContact O-OG1 3.24Å |
| 114 | G | 98.3 | Very high | 97.8 | Very high | 32 Ų | 32 | 103.9 Ų | 103.9 | 33% | 0.33 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.4 | -45.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | N110 K111 I112 T117 Q118 | N110-G114 PolarHBondContact O-N 3.49Å; K111-G114 PolarHBondContact O-N 3.03Å; I112-G114 VanDerWaalsContact C-N 3.26Å; I112-G114 PolarHBondContact O-N 2.91Å; G114-T117 WeakPolarHBondContact O-CB 3.43Å; G114-T117 PolarHBondContact O-N 3.47Å; G114-Q118 WeakPolarHBondContact O-CG 3.4Å; G114-Q118 PolarHBondContact O-N 3.02Å |
| 115 | R | 98 | Very high | 97.8 | Very high | 187 Ų | 187 | 99 Ų | 99 | 71% | 0.706 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.3 | -39.6 | 177.3 | -72 | -180 | -177.9 | -136.2 | 1 | 112.9 | K111 I112 V113 T117 Q118 L119 | K111-R115 WeakPolarHBondContact O-CG 3.33Å; K111-R115 PolarHBondContact O-N 3.22Å; I112-R115 PolarHBondContact O-N 3.47Å; V113-R115 PolarHBondContact O-N 3.04Å; R115-T117 VanDerWaalsContact C-N 3.29Å; R115-T117 PolarHBondContact O-N 3.49Å; R115-Q118 PolarHBondContact O-N 3.45Å; R115-L119 WeakPolarHBondContact O-CB 3.37Å; R115-L119 PolarHBondContact O-N 3.32Å |
| 116 | I | 98.3 | Very high | 97.8 | Very high | 105 Ų | 105 | 98.2 Ų | 98.2 | 54% | 0.538 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.3 | -43.6 | 174.4 | -68.8 | 168.7 | 0 | 0 | 0 | 110 | I112 V113 Q118 L119 A120 | I112-I116 HydrophobicContact CG2-CD1 3.73Å; I112-I116 HydrophobicContact CG2-CG1 4.26Å; I112-I116 WeakPolarHBondContact O-CG1 3.47Å; I112-I116 PolarHBondContact O-N 3.03Å; V113-I116 PolarHBondContact O-N 3.4Å; I116-Q118 VanDerWaalsContact C-N 3.34Å; I116-Q118 PolarHBondContact O-N 3.22Å; I116-L119 PolarHBondContact O-N 3.17Å; I116-A120 PolarHBondContact O-N 3.34Å |
| 117 | T | 98.1 | Very high | 97.7 | Very high | 63 Ų | 63 | 99.9 Ų | 99.9 | 39% | 0.387 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.4 | -41.4 | 177.1 | -55.3 | 0 | 0 | 0 | 0 | 111.7 | V113 G114 R115 A120 R121 | V113-T117 PolarHBondContact O-N 3.12Å; V113-T117 PolarHBondContact O-OG1 3.24Å; G114-T117 WeakPolarHBondContact O-CB 3.43Å; G114-T117 PolarHBondContact O-N 3.47Å; R115-T117 VanDerWaalsContact C-N 3.29Å; R115-T117 PolarHBondContact O-N 3.49Å; T117-A120 PolarHBondContact O-N 2.99Å; T117-R121 WeakPolarHBondContact O-CG 3.41Å; T117-R121 PolarHBondContact O-N 2.99Å; T117-R121 VanDerWaalsContact O-N 3.17Å |
| 118 | Q | 98 | Very high | 97.7 | Very high | 123 Ų | 123 | 101.2 Ų | 101.2 | 58% | 0.575 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.8 | -44.1 | 174.9 | -72.1 | 174.8 | -5.9 | 0 | 0 | 112 | G114 R115 I116 A120 R121 L122 | G114-Q118 WeakPolarHBondContact O-CG 3.4Å; G114-Q118 PolarHBondContact O-N 3.02Å; R115-Q118 PolarHBondContact O-N 3.45Å; I116-Q118 VanDerWaalsContact C-N 3.34Å; I116-Q118 PolarHBondContact O-N 3.22Å; Q118-A120 VanDerWaalsContact C-N 3.34Å; Q118-A120 PolarHBondContact O-N 3.5Å; Q118-R121 WeakPolarHBondContact O-CB 3.41Å; Q118-R121 PolarHBondContact O-N 3.03Å; Q118-L122 PolarHBondContact O-N 3.26Å |
| 119 | L | 98.3 | Very high | 97.6 | Very high | 112 Ų | 112 | 103.4 Ų | 103.4 | 59% | 0.586 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.5 | -42.8 | 177.9 | -173.3 | 65.5 | 0 | 0 | 0 | 111.5 | R115 I116 R121 L122 Q123 | R115-L119 WeakPolarHBondContact O-CB 3.37Å; R115-L119 PolarHBondContact O-N 3.32Å; I116-L119 PolarHBondContact O-N 3.17Å; L119-R121 VanDerWaalsContact C-N 3.31Å; L119-R121 PolarHBondContact O-N 3.25Å; L119-L122 PolarHBondContact O-N 2.98Å; L119-Q123 PolarHBondContact O-N 3.02Å |
| 120 | A | 97.6 | Very high | 97.6 | Very high | 51 Ų | 51 | 103.4 Ų | 103.4 | 42% | 0.421 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.4 | -42.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I116 T117 Q118 Q123 V124 | I116-A120 PolarHBondContact O-N 3.34Å; T117-A120 PolarHBondContact O-N 2.99Å; Q118-A120 VanDerWaalsContact C-N 3.34Å; Q118-A120 PolarHBondContact O-N 3.5Å; A120-Q123 PolarHBondContact O-N 3.01Å; A120-V124 WeakPolarHBondContact O-CG2 3.12Å; A120-V124 PolarHBondContact O-N 3.41Å; A120-V124 VanDerWaalsContact O-N 3.12Å |
| 121 | R | 96.8 | Very high | 97.5 | Very high | 175 Ų | 175 | 103.4 Ų | 103.4 | 66% | 0.66 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.4 | -43.1 | 175.2 | -69.2 | 173.8 | -176.9 | -178.2 | 1 | 112.1 | T117 Q118 L119 Q123 V124 S125 | T117-R121 WeakPolarHBondContact O-CG 3.41Å; T117-R121 PolarHBondContact O-N 2.99Å; T117-R121 VanDerWaalsContact O-N 3.17Å; Q118-R121 WeakPolarHBondContact O-CB 3.41Å; Q118-R121 PolarHBondContact O-N 3.03Å; L119-R121 VanDerWaalsContact C-N 3.31Å; L119-R121 PolarHBondContact O-N 3.25Å; R121-Q123 VanDerWaalsContact C-N 3.31Å; R121-Q123 PolarHBondContact O-N 3.26Å; R121-V124 PolarHBondContact O-N 3.49Å; R121-S125 PolarHBondContact O-N 3.05Å; R121-S125 PolarHBondContact O-OG 3.4Å |
| 122 | L | 97.5 | Very high | 97.4 | Very high | 108 Ų | 108 | 101 Ų | 101 | 57% | 0.565 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.4 | -39.7 | 176.4 | -73.5 | 171.7 | 0 | 0 | 0 | 111.9 | Q118 L119 V124 S125 L126 | Q118-L122 PolarHBondContact O-N 3.26Å; L119-L122 PolarHBondContact O-N 2.98Å; L122-V124 VanDerWaalsContact C-N 3.32Å; L122-V124 PolarHBondContact O-N 3.18Å; L122-S125 PolarHBondContact O-N 3.41Å; L122-L126 WeakPolarHBondContact O-CB 3.46Å; L122-L126 PolarHBondContact O-N 3.3Å |
| 123 | Q | 96.6 | Very high | 97.3 | Very high | 138 Ų | 138 | 100 Ų | 100 | 65% | 0.645 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.3 | -38.9 | 177.3 | -174 | 167.7 | -15.1 | 0 | 0 | 112 | L119 A120 R121 L126 N127 | L119-Q123 PolarHBondContact O-N 3.02Å; A120-Q123 PolarHBondContact O-N 3.01Å; R121-Q123 VanDerWaalsContact C-N 3.31Å; R121-Q123 PolarHBondContact O-N 3.26Å; Q123-L126 PolarHBondContact O-N 3.46Å; Q123-N127 WeakPolarHBondContact O-CB 3.49Å; Q123-N127 PolarHBondContact O-N 3.42Å |
| 124 | V | 97.3 | Very high | 97.1 | Very high | 89 Ų | 89 | 102 Ų | 102 | 54% | 0.539 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.1 | -47.6 | 172.8 | 173.5 | 0 | 0 | 0 | 0 | 111 | A120 R121 L122 L126 N127 I128 | A120-V124 WeakPolarHBondContact O-CG2 3.12Å; A120-V124 PolarHBondContact O-N 3.41Å; A120-V124 VanDerWaalsContact O-N 3.12Å; R121-V124 PolarHBondContact O-N 3.49Å; L122-V124 VanDerWaalsContact C-N 3.32Å; L122-V124 PolarHBondContact O-N 3.18Å; V124-L126 VanDerWaalsContact C-N 3.34Å; V124-L126 PolarHBondContact O-N 2.98Å; V124-N127 WeakPolarHBondContact O-CB 3.5Å; V124-N127 PolarHBondContact O-N 3.47Å; V124-I128 HydrophobicContact CG1-CD1 4.03Å; V124-I128 WeakPolarHBondContact O-CG1 3.45Å; V124-I128 PolarHBondContact O-N 3.26Å |
| 125 | S | 97.1 | Very high | 97 | Very high | 61 Ų | 61 | 108.3 Ų | 108.3 | 43% | 0.427 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.4 | -44.1 | 177.6 | -59.4 | 0 | 0 | 0 | 0 | 112.4 | R121 L122 N127 I128 I129 | R121-S125 PolarHBondContact O-N 3.05Å; R121-S125 PolarHBondContact O-OG 3.4Å; L122-S125 PolarHBondContact O-N 3.41Å; S125-N127 VanDerWaalsContact C-N 3.35Å; S125-N127 PolarHBondContact O-N 3.28Å; S125-I128 PolarHBondContact O-N 2.91Å; S125-I129 WeakPolarHBondContact O-CG1 3.4Å; S125-I129 PolarHBondContact O-N 2.99Å |
| 126 | L | 96.9 | Very high | 96.8 | Very high | 89 Ų | 89 | 103.2 Ų | 103.2 | 47% | 0.466 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -58.8 | -46.3 | 174.8 | -98.4 | 158.8 | 0 | 0 | 0 | 111.4 | L122 Q123 V124 I128 I129 Y130 | L122-L126 WeakPolarHBondContact O-CB 3.46Å; L122-L126 PolarHBondContact O-N 3.3Å; Q123-L126 PolarHBondContact O-N 3.46Å; V124-L126 VanDerWaalsContact C-N 3.34Å; V124-L126 PolarHBondContact O-N 2.98Å; L126-I128 VanDerWaalsContact C-N 3.32Å; L126-I128 PolarHBondContact O-N 3.46Å; L126-I129 PolarHBondContact O-N 2.91Å; L126-Y130 HydrophobicContact CD2-CD2 4.32Å; L126-Y130 HydrophobicContact CD2-CE2 3.71Å; L126-Y130 WeakPolarHBondContact O-CD2 3.5Å; L126-Y130 PolarHBondContact O-N 3.2Å |
| 127 | N | 97.1 | Very high | 96.6 | Very high | 103 Ų | 103 | 104.6 Ų | 104.6 | 55% | 0.551 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -58.4 | -44.4 | 178.1 | -172.9 | -93.5 | 0 | 0 | 0 | 111.8 | Q123 V124 S125 I129 Y130 V131 | Q123-N127 WeakPolarHBondContact O-CB 3.49Å; Q123-N127 PolarHBondContact O-N 3.42Å; V124-N127 WeakPolarHBondContact O-CB 3.5Å; V124-N127 PolarHBondContact O-N 3.47Å; S125-N127 VanDerWaalsContact C-N 3.35Å; S125-N127 PolarHBondContact O-N 3.28Å; N127-I129 PolarHBondContact O-N 3.5Å; N127-Y130 PolarHBondContact O-N 2.89Å; N127-V131 WeakPolarHBondContact O-CG2 3.43Å; N127-V131 PolarHBondContact O-N 3.24Å |
| 128 | I | 96.6 | Very high | 96.2 | Very high | 91 Ų | 91 | 110 Ų | 110 | 47% | 0.467 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -59.9 | -46 | 176.2 | -65.7 | 165.6 | 0 | 0 | 0 | 110.9 | V124 S125 L126 Y130 V131 I132 | V124-I128 HydrophobicContact CG1-CD1 4.03Å; V124-I128 WeakPolarHBondContact O-CG1 3.45Å; V124-I128 PolarHBondContact O-N 3.26Å; S125-I128 PolarHBondContact O-N 2.91Å; L126-I128 VanDerWaalsContact C-N 3.32Å; L126-I128 PolarHBondContact O-N 3.46Å; I128-Y130 PolarHBondContact O-N 3.2Å; I128-V131 PolarHBondContact O-N 3.01Å; I128-I132 HydrophobicContact CG2-CD1 3.85Å; I128-I132 WeakPolarHBondContact O-CG1 3.34Å; I128-I132 PolarHBondContact O-N 3.46Å |
| 129 | I | 96.8 | Very high | 95.5 | Very high | 98 Ų | 98 | 108.4 Ų | 108.4 | 50% | 0.503 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -60.2 | -46.1 | 177.7 | -66.3 | 164 | 0 | 0 | 0 | 110.6 | S125 L126 N127 V131 I132 V133 | S125-I129 WeakPolarHBondContact O-CG1 3.4Å; S125-I129 PolarHBondContact O-N 2.99Å; L126-I129 PolarHBondContact O-N 2.91Å; N127-I129 PolarHBondContact O-N 3.5Å; I129-V131 VanDerWaalsContact C-N 3.32Å; I129-V131 PolarHBondContact O-N 3.43Å; I129-I132 PolarHBondContact O-N 2.82Å; I129-V133 HydrophobicContact CG2-CG2 4.28Å; I129-V133 WeakPolarHBondContact O-CG2 3.47Å; I129-V133 PolarHBondContact O-N 3.08Å |
| 130 | Y | 96.8 | Very high | 94.3 | Very high | 150 Ų | 150 | 110.9 Ų | 110.9 | 59% | 0.588 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -59.4 | -41.5 | 177.4 | -82.9 | -66.3 | 0 | 0 | 0 | 112.5 | L126 N127 I128 N134 | L126-Y130 HydrophobicContact CD2-CD2 4.32Å; L126-Y130 HydrophobicContact CD2-CE2 3.71Å; L126-Y130 WeakPolarHBondContact O-CD2 3.5Å; L126-Y130 PolarHBondContact O-N 3.2Å; N127-Y130 PolarHBondContact O-N 2.89Å; I128-Y130 PolarHBondContact O-N 3.2Å; Y130-N134 PolarHBondContact O-N 2.89Å; Y130-N134 VanDerWaalsContact O-N 3.08Å; Y130-N134 PolarHBondContact O-ND2 3.14Å |
| 131 | V | 96.4 | Very high | 94.1 | Very high | 89 Ų | 89 | 113.9 Ų | 113.9 | 54% | 0.539 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -62.7 | -46.3 | 176.6 | 170.6 | 0 | 0 | 0 | 0 | 110.9 | N127 I128 I129 N134 Y135 | N127-V131 WeakPolarHBondContact O-CG2 3.43Å; N127-V131 PolarHBondContact O-N 3.24Å; I128-V131 PolarHBondContact O-N 3.01Å; I129-V131 VanDerWaalsContact C-N 3.32Å; I129-V131 PolarHBondContact O-N 3.43Å; V131-N134 PolarHBondContact O-N 2.96Å; V131-Y135 WeakPolarHBondContact O-CB 3.36Å; V131-Y135 PolarHBondContact O-N 3.04Å |
| 132 | I | 96.1 | Very high | 94 | Very high | 98 Ų | 98 | 110.7 Ų | 110.7 | 50% | 0.503 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -62.2 | -47.7 | 179.4 | -67.2 | 167.3 | 0 | 0 | 0 | 110.9 | I128 I129 N134 Y135 V136 | I128-I132 HydrophobicContact CG2-CD1 3.85Å; I128-I132 WeakPolarHBondContact O-CG1 3.34Å; I128-I132 PolarHBondContact O-N 3.46Å; I129-I132 PolarHBondContact O-N 2.82Å; I132-N134 VanDerWaalsContact C-N 3.34Å; I132-N134 PolarHBondContact O-N 3.25Å; I132-Y135 PolarHBondContact O-N 3.28Å; I132-V136 HydrophobicContact CG2-CG2 4.3Å; I132-V136 WeakPolarHBondContact O-CG2 3.35Å; I132-V136 PolarHBondContact O-N 3.12Å |
| 133 | V | 96.2 | Very high | 93.8 | Very high | 78 Ų | 78 | 110.8 Ų | 110.8 | 47% | 0.473 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -59.7 | -45.6 | -179.7 | 170.5 | 0 | 0 | 0 | 0 | 110.9 | I129 Y135 V136 L137 | I129-V133 HydrophobicContact CG2-CG2 4.28Å; I129-V133 WeakPolarHBondContact O-CG2 3.47Å; I129-V133 PolarHBondContact O-N 3.08Å; V133-Y135 PolarHBondContact O-N 3.22Å; V133-V136 PolarHBondContact O-N 3.48Å; V133-L137 WeakPolarHBondContact O-CB 3.5Å; V133-L137 PolarHBondContact O-N 2.96Å |
| 134 | N | 94.8 | Very high | 93.6 | Very high | 103 Ų | 103 | 109.2 Ų | 109.2 | 55% | 0.551 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -63.1 | -41.8 | 176.9 | -82.1 | -80.1 | 0 | 0 | 0 | 112 | Y130 V131 I132 L137 Q138 | Y130-N134 PolarHBondContact O-N 2.89Å; Y130-N134 VanDerWaalsContact O-N 3.08Å; Y130-N134 PolarHBondContact O-ND2 3.14Å; V131-N134 PolarHBondContact O-N 2.96Å; I132-N134 VanDerWaalsContact C-N 3.34Å; I132-N134 PolarHBondContact O-N 3.25Å; N134-L137 PolarHBondContact O-N 3.18Å; N134-Q138 WeakPolarHBondContact O-CB 3.36Å; N134-Q138 PolarHBondContact O-N 2.91Å; N134-Q138 VanDerWaalsContact O-N 3.12Å |
| 135 | Y | 95.6 | Very high | 93.4 | Very high | 163 Ų | 163 | 110.5 Ų | 110.5 | 64% | 0.639 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -61 | -47.2 | 176.9 | -176.4 | -91.4 | 0 | 0 | 0 | 111.8 | V131 I132 V133 L137 Q138 C139 | V131-Y135 WeakPolarHBondContact O-CB 3.36Å; V131-Y135 PolarHBondContact O-N 3.04Å; I132-Y135 PolarHBondContact O-N 3.28Å; V133-Y135 PolarHBondContact O-N 3.22Å; Y135-L137 PolarHBondContact O-N 3.4Å; Y135-Q138 PolarHBondContact O-N 3.5Å; Y135-C139 PolarHBondContact O-N 3.43Å; Y135-C139 VanDerWaalsContact O-N 3.14Å |
| 136 | V | 94.8 | Very high | 93.1 | Very high | 80 Ų | 80 | 113.8 Ų | 113.8 | 49% | 0.485 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -61.8 | -43.6 | 177.8 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | I132 V133 Q138 C139 C140 | I132-V136 HydrophobicContact CG2-CG2 4.3Å; I132-V136 WeakPolarHBondContact O-CG2 3.35Å; I132-V136 PolarHBondContact O-N 3.12Å; V133-V136 PolarHBondContact O-N 3.48Å; V136-Q138 PolarHBondContact O-N 3.21Å; V136-C139 PolarHBondContact O-N 2.92Å; V136-C140 PolarHBondContact O-N 3.39Å |
| 137 | L | 93.5 | Very high | 92.9 | Very high | 134 Ų | 134 | 115.6 Ų | 115.6 | 70% | 0.702 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -63 | -28.8 | 178.9 | -133.3 | 93.1 | 0 | 0 | 0 | 113 | V133 N134 Y135 | V133-L137 WeakPolarHBondContact O-CB 3.5Å; V133-L137 PolarHBondContact O-N 2.96Å; N134-L137 PolarHBondContact O-N 3.18Å; Y135-L137 PolarHBondContact O-N 3.4Å |
| 138 | Q | 89.9 | Confident | 92.5 | Very high | 178 Ų | 178 | 116.5 Ų | 116.5 | 83% | 0.832 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -87.1 | -18.8 | -179.7 | -168.8 | 150.1 | -38.9 | 0 | 0 | 113.4 | N134 Y135 V136 | N134-Q138 WeakPolarHBondContact O-CB 3.36Å; N134-Q138 PolarHBondContact O-N 2.91Å; N134-Q138 VanDerWaalsContact O-N 3.12Å; Y135-Q138 PolarHBondContact O-N 3.5Å; V136-Q138 PolarHBondContact O-N 3.21Å |
| 139 | C | 82.3 | Confident | 92.2 | Very high | 89 Ų | 89 | 118.7 Ų | 118.7 | 60% | 0.601 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -90.4 | -20 | 175.4 | -72.8 | 0 | 0 | 0 | 0 | 114.1 | Y135 V136 | Y135-C139 PolarHBondContact O-N 3.43Å; Y135-C139 VanDerWaalsContact O-N 3.14Å; V136-C139 PolarHBondContact O-N 2.92Å |
| 140 | C | 73.3 | Confident | 91.8 | Very high | 164 Ų | 164 | 120.5 Ų | 120.5 | 100% | 1.108 | 64% | 0.638 | S | S | * | * | trans | -87 | 0 | 173.1 | -95 | 0 | 0 | 0 | 0 | 111.7 | V136 | V136-C140 PolarHBondContact O-N 3.39Š|
Retrieved 140 of 140 residues in 30.1 ms
(Link to these results)