| 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 | 61.5 | Low | 71.4 | Confident | 129 Ų | 129 | 91.2 Ų | 91.2 | 64% | 0.635 | 49% | 0.49 | S | S | * | . | 0 | 134.5 | 0 | -69.7 | -176.7 | -166.4 | 0 | 0 | 108.1 | L6 | M1-L6 HydrophobicContact SD-CD2 4.21Š| |||
| 2 | D | 70.4 | Confident | 70.7 | Confident | 98 Ų | 98 | 87.3 Ų | 87.3 | 52% | 0.524 | 47% | 0.466 | S | S | . | . | trans | -103.3 | 156.7 | -176.7 | -162.5 | 0.6 | 0 | 0 | 0 | 110.9 | A5 L6 | D2-A5 HydrophobicContact CB-CB 4.45Å; D2-A5 PolarHBondContact O-N 3.41Å; D2-L6 PolarHBondContact O-N 3.01Å | ||
| 3 | F | 78 | Confident | 69.6 | Low | 74 Ų | 74 | 94.5 Ų | 94.5 | 33% | 0.325 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.7 | -47.7 | -178.7 | 175.6 | -97.9 | 0 | 0 | 0 | 111.3 | A5 L6 F7 P174 F178 | F3-A5 PolarHBondContact O-N 3.29Å; F3-L6 PolarHBondContact O-N 3.22Å; F3-F7 AromaticContact CD2-CD2 3.55Å; F3-F7 HydrophobicContact CD2-CD2 3.55Å; F3-F7 HydrophobicContact CD2-CE2 4.14Å; F3-F7 HydrophobicContact CD2-CG 4.46Å; F3-F7 HydrophobicContact CE1-CB 4.47Å; F3-F7 HydrophobicContact CE2-CB 4.26Å; F3-F7 AromaticContact CE2-CD2 3.59Å; F3-F7 HydrophobicContact CE2-CD2 3.59Å; F3-F7 HydrophobicContact CE2-CE2 4.27Å; F3-F7 HydrophobicContact CE2-CG 4.16Å; F3-F7 HydrophobicContact CG-CD2 4.29Å; F3-F7 HydrophobicContact CZ-CB 4.16Å; F3-F7 HydrophobicContact CZ-CD2 4.33Å; F3-F7 PolarHBondContact O-N 3.15Å; F3-P174 HydrophobicContact CB-CB 3.78Å; F3-P174 HydrophobicContact CD1-CB 3.99Å; F3-P174 HydrophobicContact CD1-CG 4.03Å; F3-P174 HydrophobicContact CD2-CB 3.45Å; F3-P174 VanDerWaalsContact CD2-CB 3.45Å; F3-P174 HydrophobicContact CD2-CG 3.87Å; F3-P174 HydrophobicContact CE1-CB 4.44Å; F3-P174 HydrophobicContact CE1-CG 4.02Å; F3-P174 HydrophobicContact CE2-CB 3.94Å; F3-P174 HydrophobicContact CE2-CG 3.84Å; F3-P174 HydrophobicContact CG-CB 3.46Å; F3-P174 VanDerWaalsContact CG-CB 3.46Å; F3-P174 HydrophobicContact CG-CG 3.95Å; F3-P174 HydrophobicContact CZ-CB 4.41Å; F3-P174 HydrophobicContact CZ-CG 3.91Å; F3-F178 HydrophobicContact CB-CD2 4.06Å; F3-F178 HydrophobicContact CB-CE2 3.76Å; F3-F178 AromaticContact CD2-CE2 3.97Å; F3-F178 HydrophobicContact CD2-CE2 3.97Å; F3-F178 HydrophobicContact CG-CE2 4.37Å |
| 4 | D | 76.4 | Confident | 68.7 | Low | 107 Ų | 107 | 99.4 Ų | 99.4 | 57% | 0.572 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.8 | -33.9 | 179.7 | -66.8 | -24.2 | 0 | 0 | 0 | 111.6 | L6 N8 | D4-L6 PolarHBondContact O-N 3.5Å; D4-N8 WeakPolarHBondContact O-CB 3.48Å; D4-N8 PolarHBondContact O-N 3.41Å; D4-N8 VanDerWaalsContact O-N 3.16Å |
| 5 | A | 77.9 | Confident | 67.3 | Low | 75 Ų | 75 | 99.3 Ų | 99.3 | 62% | 0.62 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -69.5 | -22.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | D2 F3 | D2-A5 HydrophobicContact CB-CB 4.45Å; D2-A5 PolarHBondContact O-N 3.41Å; F3-A5 PolarHBondContact O-N 3.29Å |
| 6 | L | 75.6 | Confident | 66 | Low | 9 Ų | 9 | 101.7 Ų | 101.7 | 5% | 0.047 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -95.4 | -35.2 | -179.3 | -71.9 | 173.1 | 0 | 0 | 0 | 112.7 | M1 D2 F3 D4 G25 K28 F178 | M1-L6 HydrophobicContact SD-CD2 4.21Å; D2-L6 PolarHBondContact O-N 3.01Å; F3-L6 PolarHBondContact O-N 3.22Å; D4-L6 PolarHBondContact O-N 3.5Å; L6-G25 VanDerWaalsContact O-CA 3.25Å; L6-G25 WeakPolarHBondContact O-CA 3.35Å; L6-K28 HydrophobicContact CD2-CB 3.75Å; L6-K28 HydrophobicContact CD2-CD 3.95Å; L6-F178 HydrophobicContact CD1-CE1 4.26Å; L6-F178 HydrophobicContact CD1-CZ 3.81Å |
| 7 | F | 78.3 | Confident | 65 | Low | 46 Ų | 46 | 107.4 Ų | 107.4 | 20% | 0.202 | 56% | 0.555 | C | S | . | * | H | α-helix | trans | -126.7 | 18.5 | -166.3 | -57.4 | -74.7 | 0 | 0 | 0 | 114.5 | F3 E9 L29 | F3-F7 AromaticContact CD2-CD2 3.55Å; F3-F7 HydrophobicContact CD2-CD2 3.55Å; F3-F7 HydrophobicContact CD2-CE2 4.14Å; F3-F7 HydrophobicContact CD2-CG 4.46Å; F3-F7 HydrophobicContact CE1-CB 4.47Å; F3-F7 HydrophobicContact CE2-CB 4.26Å; F3-F7 AromaticContact CE2-CD2 3.59Å; F3-F7 HydrophobicContact CE2-CD2 3.59Å; F3-F7 HydrophobicContact CE2-CE2 4.27Å; F3-F7 HydrophobicContact CE2-CG 4.16Å; F3-F7 HydrophobicContact CG-CD2 4.29Å; F3-F7 HydrophobicContact CZ-CB 4.16Å; F3-F7 HydrophobicContact CZ-CD2 4.33Å; F3-F7 PolarHBondContact O-N 3.15Å; F7-E9 PolarHBondContact O-N 3.4Å; F7-E9 VanDerWaalsContact O-N 3.1Å; F7-L29 HydrophobicContact CZ-CD2 4.38Å |
| 8 | N | 74.9 | Confident | 64 | Low | 63 Ų | 63 | 112 Ų | 112 | 34% | 0.337 | 57% | 0.574 | S | S | . | * | trans | -62 | 115 | 176.6 | -175.5 | -7.2 | 0 | 0 | 0 | 111.8 | D4 N10 T11 | D4-N8 WeakPolarHBondContact O-CB 3.48Å; D4-N8 PolarHBondContact O-N 3.41Å; D4-N8 VanDerWaalsContact O-N 3.16Å; N8-N10 PolarHBondContact O-N 3.05Å; N8-N10 VanDerWaalsContact O-N 3.13Å; N8-N10 WeakPolarHBondContact OD1-CB 3.34Å; N8-N10 PolarHBondContact OD1-N 3.43Å; N8-N10 PolarHBondContact OD1-ND2 2.68Å; N8-T11 PolarHBondContact O-N 3.18Å; N8-T11 PolarHBondContact O-OG1 3.08Å | ||
| 9 | E | 66.1 | Low | 63 | Low | 150 Ų | 150 | 114.3 Ų | 114.3 | 70% | 0.701 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -58 | -30.2 | -177.4 | -63.8 | -176.3 | 168.1 | 0 | 0 | 113.5 | F7 T11 F12 | F7-E9 PolarHBondContact O-N 3.4Å; F7-E9 VanDerWaalsContact O-N 3.1Å; E9-T11 PolarHBondContact O-N 2.99Å; E9-T11 VanDerWaalsContact O-N 3.16Å; E9-F12 HydrophobicContact CB-CD2 4.49Å; E9-F12 HydrophobicContact CG-CE2 4.5Å; E9-F12 PolarHBondContact O-N 3.46Å |
| 10 | N | 64.8 | Low | 62.3 | Low | 150 Ų | 150 | 118.8 Ų | 118.8 | 80% | 0.802 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -70.3 | -10.3 | 179.4 | -58.4 | -61.6 | 0 | 0 | 0 | 113.7 | N8 | N8-N10 PolarHBondContact O-N 3.05Å; N8-N10 VanDerWaalsContact O-N 3.13Å; N8-N10 WeakPolarHBondContact OD1-CB 3.34Å; N8-N10 PolarHBondContact OD1-N 3.43Å; N8-N10 PolarHBondContact OD1-ND2 2.68Å |
| 11 | T | 61.8 | Low | 61.8 | Low | 102 Ų | 102 | 117 Ų | 117 | 63% | 0.626 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -99.9 | -4.7 | 178.4 | 51.7 | 0 | 0 | 0 | 0 | 114 | N8 E9 | N8-T11 PolarHBondContact O-N 3.18Å; N8-T11 PolarHBondContact O-OG1 3.08Å; E9-T11 PolarHBondContact O-N 2.99Å; E9-T11 VanDerWaalsContact O-N 3.16Å |
| 12 | F | 62.5 | Low | 61.8 | Low | 45 Ų | 45 | 117.5 Ų | 117.5 | 20% | 0.197 | 59% | 0.592 | C | S | . | * | trans | -85.3 | 117.2 | 177.4 | -57.3 | -56.6 | 0 | 0 | 0 | 110.8 | E9 F14 L23 | E9-F12 HydrophobicContact CB-CD2 4.49Å; E9-F12 HydrophobicContact CG-CE2 4.5Å; E9-F12 PolarHBondContact O-N 3.46Å; F12-F14 HydrophobicContact CB-CD2 4.44Å; F12-F14 HydrophobicContact CB-CE2 4.14Å; F12-F14 HydrophobicContact CB-CZ 4.37Å; F12-F14 PolarHBondContact O-N 3.46Å; F12-L23 HydrophobicContact CD1-CD2 4.22Å; F12-L23 HydrophobicContact CE1-CD2 3.92Å; F12-L23 HydrophobicContact CZ-CD2 4.09Å | ||
| 13 | Q | 56.5 | Low | 61.8 | Low | 180 Ų | 180 | 117 Ų | 117 | 84% | 0.841 | 59% | 0.589 | S | S | * | * | trans | -76.2 | 103.6 | 157.3 | -84.7 | -177.1 | -19.7 | 0 | 0 | 107 | S15 | Q13-S15 PolarHBondContact O-N 3.26Š| ||
| 14 | F | 56.4 | Low | 61.7 | Low | 164 Ų | 164 | 117 Ų | 117 | 72% | 0.719 | 60% | 0.596 | S | S | * | * | trans | -69.3 | 79.7 | 168.7 | -68.5 | -84.3 | 0 | 0 | 0 | 108.7 | F12 | F12-F14 HydrophobicContact CB-CD2 4.44Å; F12-F14 HydrophobicContact CB-CE2 4.14Å; F12-F14 HydrophobicContact CB-CZ 4.37Å; F12-F14 PolarHBondContact O-N 3.46Å | ||
| 15 | S | 48.1 | Very low | 61.8 | Low | 97 Ų | 97 | 112 Ų | 112 | 68% | 0.678 | 57% | 0.57 | S | S | * | * | trans | -77.8 | 122.4 | 164.4 | -63 | 0 | 0 | 0 | 0 | 107.5 | Q13 | Q13-S15 PolarHBondContact O-N 3.26Š| ||
| 16 | D | 46.3 | Very low | 62.1 | Low | 138 Ų | 138 | 112.3 Ų | 112.3 | 74% | 0.738 | 56% | 0.558 | S | S | * | * | trans | 8.3 | 123.2 | 176 | -61.5 | -37.7 | 0 | 0 | 0 | 118.4 | Q18 | D16-Q18 PolarHBondContact O-N 3.47Š| ||
| 17 | F | 50.1 | Low | 62.5 | Low | 199 Ų | 199 | 116.7 Ų | 116.7 | 87% | 0.873 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.1 | 14.7 | -178.7 | -70 | -90.8 | 0 | 0 | 0 | 118.7 | ||
| 18 | Q | 46.7 | Very low | 63 | Low | 190 Ų | 190 | 120 Ų | 120 | 89% | 0.888 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.5 | -6.3 | -172.7 | -145.3 | 163 | 6.4 | 0 | 0 | 114 | D16 | D16-Q18 PolarHBondContact O-N 3.47Š|
| 19 | E | 44.8 | Very low | 63.7 | Low | 156 Ų | 156 | 117.8 Ų | 117.8 | 73% | 0.729 | 58% | 0.581 | S | S | * | * | trans | -122.9 | 101.1 | 171.5 | -141.9 | 178.3 | -159.4 | 0 | 0 | 107.5 | T21 | E19-T21 WeakPolarHBondContact CB-OG1 3.48Å; E19-T21 WeakPolarHBondContact CG-OG1 3.36Å; E19-T21 PolarHBondContact O-N 3.01Å; E19-T21 PolarHBondContact O-OG1 3.28Å; E19-T21 PolarHBondContact OE2-OG1 2.71Å | ||
| 20 | F | 49.5 | Very low | 64.8 | Low | 203 Ų | 203 | 111.8 Ų | 111.8 | 89% | 0.89 | 56% | 0.555 | S | S | * | * | trans | -67.7 | 61 | 166.1 | -79.9 | -90.3 | 0 | 0 | 0 | 108.7 | F22 | F20-F22 PolarHBondContact O-N 3.38Š| ||
| 21 | T | 51.7 | Low | 65.9 | Low | 83 Ų | 83 | 107.1 Ų | 107.1 | 51% | 0.509 | 53% | 0.529 | S | S | . | . | trans | -73.2 | 105.4 | 179.9 | -45.8 | 0 | 0 | 0 | 0 | 105.9 | E19 L23 | E19-T21 WeakPolarHBondContact CB-OG1 3.48Å; E19-T21 WeakPolarHBondContact CG-OG1 3.36Å; E19-T21 PolarHBondContact O-N 3.01Å; E19-T21 PolarHBondContact O-OG1 3.28Å; E19-T21 PolarHBondContact OE2-OG1 2.71Å; T21-L23 PolarHBondContact O-N 3.46Å; T21-L23 VanDerWaalsContact O-N 3.11Å | ||
| 22 | F | 60.9 | Low | 67.4 | Low | 139 Ų | 139 | 102.9 Ų | 102.9 | 61% | 0.61 | 50% | 0.501 | S | S | * | . | trans | -26.8 | 116 | 176.8 | -70.5 | -89.8 | 0 | 0 | 0 | 111.5 | F20 H26 Q27 | F20-F22 PolarHBondContact O-N 3.38Å; F22-H26 AromaticContact CD1-CD2 3.82Å; F22-Q27 HydrophobicContact CB-CG 3.93Å | ||
| 23 | L | 70.9 | Confident | 68.8 | Low | 88 Ų | 88 | 101 Ų | 101 | 46% | 0.461 | 49% | 0.494 | S | S | . | . | trans | -42.4 | 129 | -179.4 | -71.3 | 165.9 | 0 | 0 | 0 | 109.4 | F12 T21 G25 H26 Q27 | F12-L23 HydrophobicContact CD1-CD2 4.22Å; F12-L23 HydrophobicContact CE1-CD2 3.92Å; F12-L23 HydrophobicContact CZ-CD2 4.09Å; T21-L23 PolarHBondContact O-N 3.46Å; T21-L23 VanDerWaalsContact O-N 3.11Å; L23-G25 PolarHBondContact O-N 3.3Å; L23-H26 HydrophobicContact CB-CB 4.25Å; L23-H26 WeakPolarHBondContact O-CA 3.41Å; L23-H26 VanDerWaalsContact O-CB 3.3Å; L23-H26 WeakPolarHBondContact O-CB 3.35Å; L23-H26 PolarHBondContact O-N 3.22Å; L23-Q27 PolarHBondContact O-N 2.96Å | ||
| 24 | P | 74.6 | Confident | 70.5 | Confident | 73 Ų | 73 | 93.7 Ų | 93.7 | 47% | 0.474 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -53.3 | -30.3 | -178 | -29.2 | 34.3 | 0 | 0 | 0 | 113.3 | K28 | P24-K28 VanDerWaalsContact O-CG 3.31Å; P24-K28 WeakPolarHBondContact O-CG 3.43Å; P24-K28 PolarHBondContact O-N 3.41Å; P24-K28 VanDerWaalsContact O-N 3.12Å |
| 25 | G | 80.3 | Confident | 72.2 | Confident | 2 Ų | 2 | 90.8 Ų | 90.8 | 2% | 0.021 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -62.4 | -43.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L6 L23 K28 L29 | L6-G25 VanDerWaalsContact O-CA 3.25Å; L6-G25 WeakPolarHBondContact O-CA 3.35Å; L23-G25 PolarHBondContact O-N 3.3Å; G25-K28 PolarHBondContact O-N 2.94Å; G25-L29 WeakPolarHBondContact O-CB 3.42Å; G25-L29 PolarHBondContact O-N 2.91Å |
| 26 | H | 84.1 | Confident | 74.4 | Confident | 82 Ų | 82 | 88.5 Ų | 88.5 | 38% | 0.38 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61.7 | -47.1 | 176.2 | 179.5 | 85.4 | 0 | 0 | 0 | 110.9 | F22 L23 K28 L29 S30 | F22-H26 AromaticContact CD1-CD2 3.82Å; L23-H26 HydrophobicContact CB-CB 4.25Å; L23-H26 WeakPolarHBondContact O-CA 3.41Å; L23-H26 VanDerWaalsContact O-CB 3.3Å; L23-H26 WeakPolarHBondContact O-CB 3.35Å; L23-H26 PolarHBondContact O-N 3.22Å; H26-K28 VanDerWaalsContact C-N 3.32Å; H26-K28 PolarHBondContact O-N 3.48Å; H26-L29 PolarHBondContact O-N 3.32Å; H26-L29 VanDerWaalsContact O-N 3.17Å; H26-S30 PolarHBondContact NE2-OG 3.46Å; H26-S30 WeakPolarHBondContact O-CB 3.28Å; H26-S30 PolarHBondContact O-N 2.95Å; H26-S30 PolarHBondContact O-OG 2.97Å; H26-S30 VanDerWaalsContact O-OG 3.1Å |
| 27 | Q | 83.6 | Confident | 76.7 | Confident | 100 Ų | 100 | 82 Ų | 82 | 47% | 0.467 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -58.8 | -43.9 | 177.3 | -64.6 | -177.4 | -2.4 | 0 | 0 | 112.1 | F22 L23 S30 E31 | F22-Q27 HydrophobicContact CB-CG 3.93Å; L23-Q27 PolarHBondContact O-N 2.96Å; Q27-S30 PolarHBondContact O-N 3.37Å; Q27-E31 WeakPolarHBondContact O-CB 3.32Å; Q27-E31 WeakPolarHBondContact O-CG 3.36Å; Q27-E31 PolarHBondContact O-N 3.02Å |
| 28 | K | 88.1 | Confident | 78.7 | Confident | 116 Ų | 116 | 75.9 Ų | 75.9 | 50% | 0.504 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.2 | -41.6 | 176.5 | -73.4 | 173.1 | -175.6 | 174.4 | 0 | 112.2 | L6 P24 G25 H26 R32 | L6-K28 HydrophobicContact CD2-CB 3.75Å; L6-K28 HydrophobicContact CD2-CD 3.95Å; P24-K28 VanDerWaalsContact O-CG 3.31Å; P24-K28 WeakPolarHBondContact O-CG 3.43Å; P24-K28 PolarHBondContact O-N 3.41Å; P24-K28 VanDerWaalsContact O-N 3.12Å; G25-K28 PolarHBondContact O-N 2.94Å; H26-K28 VanDerWaalsContact C-N 3.32Å; H26-K28 PolarHBondContact O-N 3.48Å; K28-R32 WeakPolarHBondContact O-CB 3.4Å; K28-R32 PolarHBondContact O-N 2.91Å |
| 29 | L | 89.3 | Confident | 80.8 | Confident | 16 Ų | 16 | 67.9 Ų | 67.9 | 8% | 0.084 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.1 | -47.6 | 177.6 | -178.9 | 59 | 0 | 0 | 0 | 111.1 | F7 G25 H26 E31 R32 V33 F178 L181 | F7-L29 HydrophobicContact CZ-CD2 4.38Å; G25-L29 WeakPolarHBondContact O-CB 3.42Å; G25-L29 PolarHBondContact O-N 2.91Å; H26-L29 PolarHBondContact O-N 3.32Å; H26-L29 VanDerWaalsContact O-N 3.17Å; L29-E31 VanDerWaalsContact C-N 3.32Å; L29-E31 PolarHBondContact O-N 3.5Å; L29-R32 WeakPolarHBondContact O-CB 3.38Å; L29-R32 PolarHBondContact O-N 2.97Å; L29-R32 VanDerWaalsContact O-N 3.1Å; L29-V33 HydrophobicContact CD1-CG2 4.14Å; L29-V33 HydrophobicContact CG-CG2 4.38Å; L29-V33 WeakPolarHBondContact O-CB 3.35Å; L29-V33 WeakPolarHBondContact O-CG2 3.41Å; L29-V33 PolarHBondContact O-N 3.44Å; L29-F178 HydrophobicContact CD1-CE1 3.8Å; L29-F178 HydrophobicContact CD1-CZ 4.2Å; L29-L181 HydrophobicContact CD1-CD2 4.07Å |
| 30 | S | 89.1 | Confident | 82.6 | Confident | 24 Ų | 24 | 62.4 Ų | 62.4 | 17% | 0.168 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.4 | -41.2 | 178.1 | -63.5 | 0 | 0 | 0 | 0 | 111.6 | H26 Q27 R34 | H26-S30 PolarHBondContact NE2-OG 3.46Å; H26-S30 WeakPolarHBondContact O-CB 3.28Å; H26-S30 PolarHBondContact O-N 2.95Å; H26-S30 PolarHBondContact O-OG 2.97Å; H26-S30 VanDerWaalsContact O-OG 3.1Å; Q27-S30 PolarHBondContact O-N 3.37Å; S30-R34 WeakPolarHBondContact O-CB 3.39Å; S30-R34 PolarHBondContact O-N 3.42Å |
| 31 | E | 89.3 | Confident | 83.7 | Confident | 53 Ų | 53 | 59.7 Ų | 59.7 | 25% | 0.248 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.6 | -41 | 172.6 | -80.2 | -68 | 131.4 | 0 | 0 | 113 | Q27 L29 K35 | Q27-E31 WeakPolarHBondContact O-CB 3.32Å; Q27-E31 WeakPolarHBondContact O-CG 3.36Å; Q27-E31 PolarHBondContact O-N 3.02Å; L29-E31 VanDerWaalsContact C-N 3.32Å; L29-E31 PolarHBondContact O-N 3.5Å; E31-K35 WeakPolarHBondContact O-CB 3.15Å; E31-K35 WeakPolarHBondContact O-CG 3.33Å; E31-K35 PolarHBondContact O-N 3.4Å; E31-K35 WeakPolarHBondContact OE2-CE 3.42Å; E31-K35 IonicContact OE2-NZ 2.91Å; E31-K35 PolarHBondContact OE2-NZ 2.88Å |
| 32 | R | 91.9 | Very high | 84.7 | Confident | 13 Ų | 13 | 60 Ų | 60 | 5% | 0.049 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.5 | -51.8 | 176.1 | 175.3 | -175.5 | 172.2 | 172.9 | 1.4 | 110.7 | K28 L29 R34 K35 R36 E185 | K28-R32 WeakPolarHBondContact O-CB 3.4Å; K28-R32 PolarHBondContact O-N 2.91Å; L29-R32 WeakPolarHBondContact O-CB 3.38Å; L29-R32 PolarHBondContact O-N 2.97Å; L29-R32 VanDerWaalsContact O-N 3.1Å; R32-R34 VanDerWaalsContact C-N 3.33Å; R32-R34 PolarHBondContact O-N 3.2Å; R32-K35 PolarHBondContact O-N 3.27Å; R32-R36 HydrophobicContact CG-CG 4.38Å; R32-R36 WeakPolarHBondContact O-CB 3.39Å; R32-R36 WeakPolarHBondContact O-CG 3.32Å; R32-R36 PolarHBondContact O-N 2.89Å; R32-E185 IonicContact CZ-OE1 3.95Å; R32-E185 IonicContact CZ-OE2 3.73Å; R32-E185 IonicContact NE-OE1 3.56Å; R32-E185 PolarHBondContact NE-OE1 3.4Å; R32-E185 IonicContact NE-OE2 3.56Å; R32-E185 PolarHBondContact NE-OE2 3.49Å; R32-E185 IonicContact NH2-OE1 3.35Å; R32-E185 PolarHBondContact NH2-OE1 3.34Å; R32-E185 IonicContact NH2-OE2 2.77Å; R32-E185 PolarHBondContact NH2-OE2 2.84Å |
| 33 | V | 92.8 | Very high | 85.1 | Confident | 6 Ų | 6 | 60.4 Ų | 60.4 | 4% | 0.036 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.6 | -48.5 | 178.9 | 167.7 | 0 | 0 | 0 | 0 | 109.7 | L29 K35 L37 P89 L181 | L29-V33 HydrophobicContact CD1-CG2 4.14Å; L29-V33 HydrophobicContact CG-CG2 4.38Å; L29-V33 WeakPolarHBondContact O-CB 3.35Å; L29-V33 WeakPolarHBondContact O-CG2 3.41Å; L29-V33 PolarHBondContact O-N 3.44Å; V33-K35 PolarHBondContact O-N 2.97Å; V33-L37 HydrophobicContact CG1-CD1 3.81Å; V33-L37 HydrophobicContact CG1-CG 4.33Å; V33-L37 WeakPolarHBondContact O-CA 3.46Å; V33-L37 WeakPolarHBondContact O-CB 3.28Å; V33-L37 WeakPolarHBondContact O-CG 3.2Å; V33-L37 PolarHBondContact O-N 3.49Å; V33-P89 HydrophobicContact CG1-CB 3.64Å; V33-P89 HydrophobicContact CG1-CG 3.73Å; V33-L181 HydrophobicContact CG2-CD1 4.39Å; V33-L181 HydrophobicContact CG2-CD2 4.42Å |
| 34 | R | 91.8 | Very high | 84.9 | Confident | 26 Ų | 26 | 63.2 Ų | 63.2 | 10% | 0.098 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.1 | -48.5 | 179.2 | 176.5 | 174.1 | -75.2 | 99.6 | 1 | 112.3 | S30 R32 Y38 Y39 G40 D42 V45 | S30-R34 WeakPolarHBondContact O-CB 3.39Å; S30-R34 PolarHBondContact O-N 3.42Å; R32-R34 VanDerWaalsContact C-N 3.33Å; R32-R34 PolarHBondContact O-N 3.2Å; R34-Y38 PolarHBondContact O-N 2.98Å; R34-Y39 PolarHBondContact O-N 3.49Å; R34-G40 WeakPolarHBondContact CD-O 3.44Å; R34-G40 WeakPolarHBondContact CG-O 3.21Å; R34-D42 PolarHBondContact NE-O 2.81Å; R34-V45 PolarHBondContact NH2-O 3.24Å |
| 35 | K | 91.6 | Very high | 84.6 | Confident | 103 Ų | 103 | 62.8 Ų | 62.8 | 45% | 0.448 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -71 | -46.6 | -178.3 | -72.9 | 171.7 | -174.7 | 158.4 | 0 | 113.2 | E31 R32 V33 L41 | E31-K35 WeakPolarHBondContact O-CB 3.15Å; E31-K35 WeakPolarHBondContact O-CG 3.33Å; E31-K35 PolarHBondContact O-N 3.4Å; E31-K35 WeakPolarHBondContact OE2-CE 3.42Å; E31-K35 IonicContact OE2-NZ 2.91Å; E31-K35 PolarHBondContact OE2-NZ 2.88Å; R32-K35 PolarHBondContact O-N 3.27Å; V33-K35 PolarHBondContact O-N 2.97Å; K35-L41 HydrophobicContact CG-CD2 4.47Å |
| 36 | R | 94.4 | Very high | 84.1 | Confident | 49 Ų | 49 | 66 Ų | 66 | 19% | 0.185 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -83.5 | -24.8 | -172.3 | -64.4 | -176.3 | 172.2 | -157.7 | -3 | 113 | R32 E185 T202 V206 D209 | R32-R36 HydrophobicContact CG-CG 4.38Å; R32-R36 WeakPolarHBondContact O-CB 3.39Å; R32-R36 WeakPolarHBondContact O-CG 3.32Å; R32-R36 PolarHBondContact O-N 2.89Å; R36-E185 HydrophobicContact CB-CG 3.82Å; R36-E185 WeakPolarHBondContact CD-OE1 3.48Å; R36-E185 WeakPolarHBondContact CD-OE2 3.2Å; R36-E185 IonicContact CZ-OE2 3.24Å; R36-E185 IonicContact NE-OE2 3.09Å; R36-E185 IonicContact NH1-OE2 3.49Å; R36-E185 PolarHBondContact NH1-OE2 2.83Å; R36-T202 HydrophobicContact CG-CG2 4Å; R36-V206 HydrophobicContact CB-CG2 4.39Å; R36-V206 HydrophobicContact CG-CG2 3.83Å; R36-D209 IonicContact NH1-OD2 2.74Å |
| 37 | L | 95 | Very high | 83.9 | Confident | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | 14.5 | 177.4 | -51.2 | -170.3 | 0 | 0 | 0 | 113.5 | V33 Y39 S51 V54 P89 L181 L184 E185 I188 | V33-L37 HydrophobicContact CG1-CD1 3.81Å; V33-L37 HydrophobicContact CG1-CG 4.33Å; V33-L37 WeakPolarHBondContact O-CA 3.46Å; V33-L37 WeakPolarHBondContact O-CB 3.28Å; V33-L37 WeakPolarHBondContact O-CG 3.2Å; V33-L37 PolarHBondContact O-N 3.49Å; L37-Y39 HydrophobicContact CB-CD2 3.82Å; L37-Y39 HydrophobicContact CB-CE2 3.77Å; L37-Y39 HydrophobicContact CD1-CE2 4.41Å; L37-Y39 PolarHBondContact O-N 2.96Å; L37-S51 VanDerWaalsContact O-CB 3.3Å; L37-S51 WeakPolarHBondContact O-CB 3.43Å; L37-S51 PolarHBondContact O-OG 2.93Å; L37-V54 HydrophobicContact CB-CG2 3.72Å; L37-V54 HydrophobicContact CD1-CG2 4.13Å; L37-V54 HydrophobicContact CD2-CG2 4.47Å; L37-V54 HydrophobicContact CG-CG2 4.33Å; L37-P89 HydrophobicContact CD1-CB 4.41Å; L37-L181 HydrophobicContact CD1-CD1 4.28Å; L37-L181 HydrophobicContact CD2-CD1 4.4Å; L37-L184 HydrophobicContact CD1-CD2 4.29Å; L37-L184 HydrophobicContact CD2-CD2 4.24Å; L37-L184 HydrophobicContact CD2-CG 4.22Å; L37-E185 HydrophobicContact CD2-CG 3.87Å; L37-I188 HydrophobicContact CB-CD1 4.44Å; L37-I188 HydrophobicContact CD2-CD1 3.66Å |
| 38 | Y | 92.8 | Very high | 83.6 | Confident | 70 Ų | 70 | 62 Ų | 62 | 28% | 0.275 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | 42.1 | 170.9 | -73.6 | -109.2 | 0 | 0 | 0 | 114.9 | R34 G40 P53 I188 Q192 D203 | R34-Y38 PolarHBondContact O-N 2.98Å; Y38-G40 VanDerWaalsContact C-N 3.27Å; Y38-P53 HydrophobicContact CD1-CG 4.4Å; Y38-P53 HydrophobicContact CG-CG 4.04Å; Y38-I188 HydrophobicContact CD2-CG2 3.51Å; Y38-I188 HydrophobicContact CE2-CG2 3.63Å; Y38-Q192 HydrophobicContact CE1-CB 4.33Å; Y38-Q192 HydrophobicContact CE1-CG 4.18Å; Y38-Q192 HydrophobicContact CE2-CB 4.35Å; Y38-Q192 HydrophobicContact CE2-CG 4.07Å; Y38-D203 PolarHBondContact OH-OD1 3.25Å; Y38-D203 PolarHBondContact OH-OD2 3.18Å |
| 39 | Y | 90.1 | Very high | 83.5 | Confident | 23 Ų | 23 | 58.2 Ų | 58.2 | 9% | 0.09 | 31% | 0.308 | C | S | . | . | trans | -82.2 | -4.7 | 173.5 | -81.6 | -91.8 | 0 | 0 | 0 | 114 | R34 L37 L47 A49 L50 S51 V54 P89 | R34-Y39 PolarHBondContact O-N 3.49Å; L37-Y39 HydrophobicContact CB-CD2 3.82Å; L37-Y39 HydrophobicContact CB-CE2 3.77Å; L37-Y39 HydrophobicContact CD1-CE2 4.41Å; L37-Y39 PolarHBondContact O-N 2.96Å; Y39-L47 HydrophobicContact CD1-CD2 3.41Å; Y39-L47 VanDerWaalsContact CD1-CD2 3.41Å; Y39-L47 HydrophobicContact CD2-CD2 4.12Å; Y39-L47 HydrophobicContact CE1-CD2 3.79Å; Y39-L47 HydrophobicContact CE2-CD2 4.49Å; Y39-L47 HydrophobicContact CG-CD2 3.58Å; Y39-A49 WeakPolarHBondContact CE1-O 3.38Å; Y39-A49 PolarHBondContact OH-O 3.43Å; Y39-L50 WeakPolarHBondContact OH-CA 3.47Å; Y39-S51 PolarHBondContact OH-N 3.04Å; Y39-V54 HydrophobicContact CE2-CG2 4.36Å; Y39-P89 HydrophobicContact CE2-CG 4.06Å | ||
| 40 | G | 83.3 | Confident | 83.6 | Confident | 41 Ų | 41 | 58.2 Ų | 58.2 | 42% | 0.423 | 31% | 0.308 | S | S | . | . | trans | 95 | 175.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | R34 Y38 | R34-G40 WeakPolarHBondContact CD-O 3.44Å; R34-G40 WeakPolarHBondContact CG-O 3.21Å; Y38-G40 VanDerWaalsContact C-N 3.27Å | ||
| 41 | L | 72.4 | Confident | 83.8 | Confident | 145 Ų | 145 | 57.7 Ų | 57.7 | 76% | 0.759 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -97.5 | -7.7 | 178.6 | -68.3 | 172.7 | 0 | 0 | 0 | 112.6 | K35 K43 | K35-L41 HydrophobicContact CG-CD2 4.47Å; L41-K43 PolarHBondContact O-N 2.97Å |
| 42 | D | 72.9 | Confident | 84.1 | Confident | 90 Ų | 90 | 58.6 Ų | 58.6 | 48% | 0.481 | 32% | 0.315 | S | S | . | . | trans | -73.3 | 126.8 | 179.9 | -160.7 | -14.6 | 0 | 0 | 0 | 109.5 | R34 D44 V45 | R34-D42 PolarHBondContact NE-O 2.81Å; D42-D44 VanDerWaalsContact C-N 3.29Å; D42-D44 PolarHBondContact OD1-N 3.26Å; D42-D44 VanDerWaalsContact OD1-N 3.13Å; D42-V45 HydrophobicContact CB-CG2 3.8Å | ||
| 43 | K | 69.6 | Low | 84.2 | Confident | 148 Ų | 148 | 58.6 Ų | 58.6 | 64% | 0.643 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -79.3 | -21.6 | -178.8 | -67.9 | -175.2 | 176.4 | -176.3 | 0 | 111.3 | L41 V45 | L41-K43 PolarHBondContact O-N 2.97Å; K43-V45 VanDerWaalsContact C-N 3.28Å |
| 44 | D | 66.3 | Low | 84.4 | Confident | 146 Ų | 146 | 58.4 Ų | 58.4 | 78% | 0.781 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -82.2 | -11.2 | -178.8 | -57.9 | -22 | 0 | 0 | 0 | 111.8 | D42 S46 | D42-D44 VanDerWaalsContact C-N 3.29Å; D42-D44 PolarHBondContact OD1-N 3.26Å; D42-D44 VanDerWaalsContact OD1-N 3.13Å; D44-S46 PolarHBondContact O-N 2.72Å |
| 45 | V | 67.4 | Low | 84.7 | Confident | 65 Ų | 65 | 57.2 Ų | 57.2 | 39% | 0.394 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -75.8 | 112 | 171.6 | 176.2 | 0 | 0 | 0 | 0 | 108.7 | R34 D42 K43 | R34-V45 PolarHBondContact NH2-O 3.24Å; D42-V45 HydrophobicContact CB-CG2 3.8Å; K43-V45 VanDerWaalsContact C-N 3.28Å |
| 46 | S | 71.6 | Confident | 84.9 | Confident | 68 Ų | 68 | 54.1 Ų | 54.1 | 48% | 0.476 | 30% | 0.3 | S | S | . | . | trans | -65 | 152 | 175.9 | 76.8 | 0 | 0 | 0 | 0 | 111.2 | D44 D48 | D44-S46 PolarHBondContact O-N 2.72Å; S46-D48 WeakPolarHBondContact CB-OD2 3.33Å; S46-D48 PolarHBondContact O-N 2.99Å; S46-D48 VanDerWaalsContact OG-CG 3.25Å; S46-D48 PolarHBondContact OG-OD2 3.3Å | ||
| 47 | L | 79.1 | Confident | 85 | Confident | 29 Ų | 29 | 52.1 Ų | 52.1 | 15% | 0.152 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -89.6 | 19.9 | 179.9 | -65.7 | 177.1 | 0 | 0 | 0 | 111.4 | Y39 A49 P89 | Y39-L47 HydrophobicContact CD1-CD2 3.41Å; Y39-L47 VanDerWaalsContact CD1-CD2 3.41Å; Y39-L47 HydrophobicContact CD2-CD2 4.12Å; Y39-L47 HydrophobicContact CE1-CD2 3.79Å; Y39-L47 HydrophobicContact CE2-CD2 4.49Å; Y39-L47 HydrophobicContact CG-CD2 3.58Å; L47-A49 PolarHBondContact O-N 3.16Å; L47-A49 VanDerWaalsContact O-N 3.13Å; L47-P89 HydrophobicContact CB-CG 4.17Å; L47-P89 HydrophobicContact CD1-CG 4.45Å; L47-P89 HydrophobicContact CD2-CG 4.45Å; L47-P89 VanDerWaalsContact O-CD 3.29Å; L47-P89 WeakPolarHBondContact O-CD 3.34Å |
| 48 | D | 77.1 | Confident | 85.1 | Confident | 71 Ų | 71 | 52.1 Ų | 52.1 | 38% | 0.38 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -85.4 | 16.8 | -170.3 | -40.4 | -27.6 | 0 | 0 | 0 | 112.3 | S46 C86 | S46-D48 WeakPolarHBondContact CB-OD2 3.33Å; S46-D48 PolarHBondContact O-N 2.99Å; S46-D48 VanDerWaalsContact OG-CG 3.25Å; S46-D48 PolarHBondContact OG-OD2 3.3Å; D48-C86 HydrophobicContact CB-CB 4.2Å; D48-C86 CarbonylContact O-C 3.52Å; D48-C86 VanDerWaalsContact O-CA 3.3Å; D48-C86 WeakPolarHBondContact O-CA 3.3Å |
| 49 | A | 85 | Confident | 85.4 | Confident | 35 Ų | 35 | 49.5 Ų | 49.5 | 29% | 0.289 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -146.1 | 161.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | Y39 L47 | Y39-A49 WeakPolarHBondContact CE1-O 3.38Å; Y39-A49 PolarHBondContact OH-O 3.43Å; L47-A49 PolarHBondContact O-N 3.16Å; L47-A49 VanDerWaalsContact O-N 3.13Å |
| 50 | L | 92.6 | Very high | 85.7 | Confident | 17 Ų | 17 | 51.9 Ų | 51.9 | 9% | 0.089 | 30% | 0.296 | C | S | . | . | trans | -82.5 | 135 | 172.4 | -61.3 | 173 | 0 | 0 | 0 | 110.4 | Y39 V54 T55 A82 I87 M92 F119 | Y39-L50 WeakPolarHBondContact OH-CA 3.47Å; L50-V54 HydrophobicContact CB-CG1 4.31Å; L50-V54 HydrophobicContact CD2-CG1 3.91Å; L50-T55 WeakPolarHBondContact CB-OG1 3.46Å; L50-A82 HydrophobicContact CB-CB 4.04Å; L50-A82 HydrophobicContact CD1-CB 3.71Å; L50-A82 HydrophobicContact CG-CB 3.67Å; L50-I87 HydrophobicContact CD2-CG2 4.17Å; L50-I87 HydrophobicContact CG-CG2 4.39Å; L50-M92 HydrophobicContact CD1-CE 3.16Å; L50-M92 HydrophobicContact CD2-CB 3.99Å; L50-M92 HydrophobicContact CD2-CE 3.76Å; L50-M92 HydrophobicContact CD2-CG 4.35Å; L50-M92 HydrophobicContact CG-CE 4.08Å; L50-F119 HydrophobicContact CD1-CE2 4.41Å; L50-F119 HydrophobicContact CD1-CZ 4.2Å | ||
| 51 | S | 93.9 | Very high | 86.3 | Confident | 12 Ų | 12 | 51.6 Ų | 51.6 | 8% | 0.084 | 29% | 0.285 | C | S | . | . | trans | -61.9 | 156.7 | 170.9 | 81.2 | 0 | 0 | 0 | 0 | 110.7 | L37 Y39 V54 T55 | L37-S51 VanDerWaalsContact O-CB 3.3Å; L37-S51 WeakPolarHBondContact O-CB 3.43Å; L37-S51 PolarHBondContact O-OG 2.93Å; Y39-S51 PolarHBondContact OH-N 3.04Å; S51-V54 PolarHBondContact O-N 2.97Å; S51-V54 WeakPolarHBondContact OG-CB 3.24Å; S51-V54 WeakPolarHBondContact OG-CG2 3.45Å; S51-V54 PolarHBondContact OG-N 3.36Å; S51-T55 WeakPolarHBondContact O-CB 3.35Å; S51-T55 PolarHBondContact O-N 3.21Å; S51-T55 PolarHBondContact O-OG1 3.5Å | ||
| 52 | C | 93.8 | Very high | 87.5 | Confident | 72 Ų | 72 | 44.7 Ų | 44.7 | 49% | 0.486 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -58.7 | -43.9 | -179.5 | 178.4 | 0 | 0 | 0 | 0 | 112.5 | T55 D56 K75 | C52-T55 PolarHBondContact O-N 3.43Å; C52-D56 PolarHBondContact O-N 3.01Å; C52-K75 PolarHBondContact SG-NZ 2.89Å |
| 53 | P | 95.7 | Very high | 88.6 | Confident | 14 Ų | 14 | 44 Ų | 44 | 9% | 0.091 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.2 | -42.7 | 172.6 | -28.7 | 40.3 | 0 | 0 | 0 | 113.9 | Y38 T55 D56 I57 I188 Q192 | Y38-P53 HydrophobicContact CD1-CG 4.4Å; Y38-P53 HydrophobicContact CG-CG 4.04Å; P53-T55 VanDerWaalsContact C-N 3.31Å; P53-T55 PolarHBondContact O-N 2.93Å; P53-D56 PolarHBondContact O-N 3.34Å; P53-I57 WeakPolarHBondContact O-CG1 3.21Å; P53-I57 PolarHBondContact O-N 3.43Å; P53-I188 HydrophobicContact CB-CG1 4.46Å; P53-I188 HydrophobicContact CB-CG2 3.91Å; P53-Q192 HydrophobicContact CB-CG 4.23Å; P53-Q192 HydrophobicContact CG-CG 4.29Å |
| 54 | V | 96.8 | Very high | 89.8 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.4 | -44 | 177.4 | 172.8 | 0 | 0 | 0 | 0 | 110.4 | L37 Y39 L50 S51 D56 I57 A58 M92 L184 I188 | L37-V54 HydrophobicContact CB-CG2 3.72Å; L37-V54 HydrophobicContact CD1-CG2 4.13Å; L37-V54 HydrophobicContact CD2-CG2 4.47Å; L37-V54 HydrophobicContact CG-CG2 4.33Å; Y39-V54 HydrophobicContact CE2-CG2 4.36Å; L50-V54 HydrophobicContact CB-CG1 4.31Å; L50-V54 HydrophobicContact CD2-CG1 3.91Å; S51-V54 PolarHBondContact O-N 2.97Å; S51-V54 WeakPolarHBondContact OG-CB 3.24Å; S51-V54 WeakPolarHBondContact OG-CG2 3.45Å; S51-V54 PolarHBondContact OG-N 3.36Å; V54-D56 VanDerWaalsContact C-N 3.34Å; V54-D56 PolarHBondContact O-N 3.36Å; V54-I57 PolarHBondContact O-N 2.88Å; V54-A58 VanDerWaalsContact O-CB 3.31Å; V54-A58 WeakPolarHBondContact O-CB 3.38Å; V54-A58 PolarHBondContact O-N 2.94Å; V54-M92 HydrophobicContact CG1-CE 4.48Å; V54-M92 HydrophobicContact CG1-CG 4.29Å; V54-L184 HydrophobicContact CG1-CD2 4.4Å; V54-I188 HydrophobicContact CB-CD1 4.48Å; V54-I188 HydrophobicContact CG2-CD1 3.61Å |
| 55 | T | 96.9 | Very high | 91.2 | Very high | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.012 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.8 | -42.8 | 177 | -53.5 | 0 | 0 | 0 | 0 | 111.6 | L50 S51 C52 P53 I57 A58 V59 K75 A78 A79 | L50-T55 WeakPolarHBondContact CB-OG1 3.46Å; S51-T55 WeakPolarHBondContact O-CB 3.35Å; S51-T55 PolarHBondContact O-N 3.21Å; S51-T55 PolarHBondContact O-OG1 3.5Å; C52-T55 PolarHBondContact O-N 3.43Å; P53-T55 VanDerWaalsContact C-N 3.31Å; P53-T55 PolarHBondContact O-N 2.93Å; T55-I57 PolarHBondContact O-N 3.47Å; T55-A58 PolarHBondContact O-N 3.06Å; T55-V59 HydrophobicContact CG2-CG2 4.39Å; T55-V59 WeakPolarHBondContact O-CB 3.25Å; T55-V59 WeakPolarHBondContact O-CG2 3.33Å; T55-V59 PolarHBondContact O-N 3.35Å; T55-K75 HydrophobicContact CG2-CG 3.99Å; T55-A78 HydrophobicContact CG2-CB 3.7Å; T55-A79 HydrophobicContact CG2-CB 4.27Å |
| 56 | D | 96.6 | Very high | 92.5 | Very high | 38 Ų | 38 | 35.1 Ų | 35.1 | 20% | 0.203 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.6 | -45.1 | 177.6 | -81.5 | -21.8 | 0 | 0 | 0 | 111.8 | C52 P53 V54 E60 K75 R195 | C52-D56 PolarHBondContact O-N 3.01Å; P53-D56 PolarHBondContact O-N 3.34Å; V54-D56 VanDerWaalsContact C-N 3.34Å; V54-D56 PolarHBondContact O-N 3.36Å; D56-E60 PolarHBondContact O-N 3.42Å; D56-K75 WeakPolarHBondContact OD1-CD 3.07Å; D56-K75 WeakPolarHBondContact OD1-CE 3.4Å; D56-K75 IonicContact OD1-NZ 2.88Å; D56-K75 PolarHBondContact OD1-NZ 3.43Å; D56-K75 IonicContact OD2-NZ 3.86Å; D56-K75 PolarHBondContact OD2-NZ 2.89Å; D56-R195 IonicContact OD2-NH1 2.77Å; D56-R195 PolarHBondContact OD2-NH1 3.32Å |
| 57 | I | 97.2 | Very high | 93.3 | Very high | 6 Ų | 6 | 35.9 Ų | 35.9 | 3% | 0.031 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -68.1 | -45.5 | 177.6 | -59 | -57.7 | 0 | 0 | 0 | 111.3 | P53 V54 T55 V59 E60 I61 L184 I188 K191 | P53-I57 WeakPolarHBondContact O-CG1 3.21Å; P53-I57 PolarHBondContact O-N 3.43Å; V54-I57 PolarHBondContact O-N 2.88Å; T55-I57 PolarHBondContact O-N 3.47Å; I57-V59 VanDerWaalsContact C-N 3.33Å; I57-V59 PolarHBondContact O-N 2.94Å; I57-E60 WeakPolarHBondContact O-CB 3.29Å; I57-E60 PolarHBondContact O-N 3.28Å; I57-E60 VanDerWaalsContact O-N 3.12Å; I57-I61 HydrophobicContact CG2-CD1 3.65Å; I57-I61 HydrophobicContact CG2-CG1 4.14Å; I57-I61 WeakPolarHBondContact O-CG1 3.2Å; I57-I61 PolarHBondContact O-N 2.85Å; I57-L184 HydrophobicContact CB-CD1 3.98Å; I57-L184 HydrophobicContact CG2-CD1 3.59Å; I57-I188 HydrophobicContact CG1-CG1 3.63Å; I57-K191 HydrophobicContact CD1-CB 4.38Å; I57-K191 HydrophobicContact CD1-CD 3.38Å; I57-K191 VanDerWaalsContact CD1-CE 3.43Å; I57-K191 HydrophobicContact CD1-CG 4.1Å |
| 58 | A | 97 | Very high | 93.6 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.008 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -56.3 | -49.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | V54 T55 E60 I61 F62 M92 | V54-A58 VanDerWaalsContact O-CB 3.31Å; V54-A58 WeakPolarHBondContact O-CB 3.38Å; V54-A58 PolarHBondContact O-N 2.94Å; T55-A58 PolarHBondContact O-N 3.06Å; A58-E60 PolarHBondContact O-N 2.98Å; A58-I61 PolarHBondContact O-N 3.32Å; A58-F62 HydrophobicContact CB-CD2 4.28Å; A58-F62 HydrophobicContact CB-CE2 4.45Å; A58-F62 VanDerWaalsContact O-CD2 3.22Å; A58-F62 WeakPolarHBondContact O-CD2 3.21Å; A58-F62 PolarHBondContact O-N 2.67Å; A58-M92 HydrophobicContact CB-CE 3.83Å; A58-M92 HydrophobicContact CB-SD 4.11Å |
| 59 | V | 97.3 | Very high | 93.6 | Very high | 16 Ų | 16 | 37 Ų | 37 | 10% | 0.097 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -52.5 | -44.3 | 177.8 | 170.9 | 0 | 0 | 0 | 0 | 111.6 | T55 I57 Q63 L73 K75 A78 | T55-V59 HydrophobicContact CG2-CG2 4.39Å; T55-V59 WeakPolarHBondContact O-CB 3.25Å; T55-V59 WeakPolarHBondContact O-CG2 3.33Å; T55-V59 PolarHBondContact O-N 3.35Å; I57-V59 VanDerWaalsContact C-N 3.33Å; I57-V59 PolarHBondContact O-N 2.94Å; V59-Q63 HydrophobicContact CG1-CG 4.45Å; V59-Q63 VanDerWaalsContact O-CB 3.3Å; V59-Q63 WeakPolarHBondContact O-CB 3.3Å; V59-Q63 WeakPolarHBondContact O-CG 3.31Å; V59-Q63 PolarHBondContact O-N 2.95Å; V59-L73 HydrophobicContact CB-CD2 4.48Å; V59-L73 HydrophobicContact CG2-CD2 4.24Å; V59-L73 HydrophobicContact CG2-CG 4.17Å; V59-K75 HydrophobicContact CG2-CB 4.32Å; V59-A78 HydrophobicContact CG2-CB 3.97Å |
| 60 | E | 96.5 | Very high | 93.7 | Very high | 72 Ų | 72 | 41.1 Ų | 41.1 | 34% | 0.336 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -66.6 | -45.4 | 177.9 | -172.5 | 179.9 | 125.2 | 0 | 0 | 112.8 | D56 I57 A58 K64 K191 | D56-E60 PolarHBondContact O-N 3.42Å; I57-E60 WeakPolarHBondContact O-CB 3.29Å; I57-E60 PolarHBondContact O-N 3.28Å; I57-E60 VanDerWaalsContact O-N 3.12Å; A58-E60 PolarHBondContact O-N 2.98Å; E60-K64 HydrophobicContact CG-CD 4Å; E60-K64 WeakPolarHBondContact O-CB 3.41Å; E60-K64 VanDerWaalsContact O-CG 3.25Å; E60-K64 WeakPolarHBondContact O-CG 3.3Å; E60-K64 PolarHBondContact O-N 3.16Å; E60-K64 IonicContact OE1-NZ 3.18Å; E60-K64 PolarHBondContact OE1-NZ 3.33Å; E60-K191 IonicContact OE1-NZ 2.67Å; E60-K191 PolarHBondContact OE1-NZ 3.13Å; E60-K191 IonicContact OE2-NZ 2.95Å; E60-K191 PolarHBondContact OE2-NZ 3.28Å |
| 61 | I | 96.6 | Very high | 93.4 | Very high | 35 Ų | 35 | 44.5 Ų | 44.5 | 18% | 0.179 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62 | -47.7 | 179.8 | -66.7 | 171.9 | 0 | 0 | 0 | 110.6 | I57 A58 K64 S65 L96 | I57-I61 HydrophobicContact CG2-CD1 3.65Å; I57-I61 HydrophobicContact CG2-CG1 4.14Å; I57-I61 WeakPolarHBondContact O-CG1 3.2Å; I57-I61 PolarHBondContact O-N 2.85Å; A58-I61 PolarHBondContact O-N 3.32Å; I61-K64 PolarHBondContact O-N 3.1Å; I61-S65 WeakPolarHBondContact O-CB 3.44Å; I61-S65 PolarHBondContact O-N 3.25Å; I61-S65 PolarHBondContact O-OG 3.44Å; I61-L96 HydrophobicContact CB-CD2 4.37Å; I61-L96 HydrophobicContact CD1-CD1 4.44Å; I61-L96 HydrophobicContact CD1-CD2 4.11Å; I61-L96 HydrophobicContact CG2-CD2 3.77Å |
| 62 | F | 97.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.8 | -39.1 | -178.4 | -81.8 | -81.6 | 0 | 0 | 0 | 112.3 | A58 S65 A66 L73 M92 L96 I99 S115 L118 F119 S122 M123 | A58-F62 HydrophobicContact CB-CD2 4.28Å; A58-F62 HydrophobicContact CB-CE2 4.45Å; A58-F62 VanDerWaalsContact O-CD2 3.22Å; A58-F62 WeakPolarHBondContact O-CD2 3.21Å; A58-F62 PolarHBondContact O-N 2.67Å; F62-S65 PolarHBondContact O-N 3.23Å; F62-A66 PolarHBondContact O-N 2.87Å; F62-L73 HydrophobicContact CB-CD2 3.51Å; F62-L73 HydrophobicContact CD2-CD2 4.34Å; F62-L73 HydrophobicContact CG-CD2 4.08Å; F62-M92 HydrophobicContact CE2-SD 4.42Å; F62-L96 HydrophobicContact CE2-CD2 3.95Å; F62-L96 HydrophobicContact CZ-CD2 4.35Å; F62-I99 HydrophobicContact CD1-CG1 4.26Å; F62-I99 HydrophobicContact CE1-CD1 3.82Å; F62-I99 HydrophobicContact CE1-CG1 3.55Å; F62-I99 HydrophobicContact CZ-CG1 3.98Å; F62-S115 WeakPolarHBondContact O-CB 3.47Å; F62-L118 HydrophobicContact CD1-CB 4.42Å; F62-L118 HydrophobicContact CD1-CD2 4.14Å; F62-L118 HydrophobicContact CD1-CG 3.98Å; F62-L118 HydrophobicContact CE1-CG 4.19Å; F62-F119 HydrophobicContact CD1-CB 3.96Å; F62-F119 HydrophobicContact CD2-CB 4.47Å; F62-F119 AromaticContact CD2-CD2 3.72Å; F62-F119 HydrophobicContact CD2-CD2 3.72Å; F62-F119 HydrophobicContact CE1-CB 4.22Å; F62-F119 AromaticContact CE2-CD2 3.68Å; F62-F119 HydrophobicContact CE2-CD2 3.68Å; F62-F119 HydrophobicContact CE2-CE2 4.36Å; F62-F119 HydrophobicContact CG-CB 4.11Å; F62-F119 HydrophobicContact CG-CD2 4.2Å; F62-F119 HydrophobicContact CZ-CD2 4.1Å; F62-S122 VanDerWaalsContact CE1-OG 3.22Å; F62-S122 WeakPolarHBondContact CE1-OG 3.5Å; F62-S122 WeakPolarHBondContact CZ-OG 3.38Å; F62-M123 HydrophobicContact CE2-CE 3.79Å; F62-M123 HydrophobicContact CZ-CE 3.59Å |
| 63 | Q | 96.4 | Very high | 93.6 | Very high | 77 Ų | 77 | 46 Ų | 46 | 36% | 0.36 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -65.8 | -37 | 173.3 | -75.5 | -176.4 | 15.1 | 0 | 0 | 112.8 | V59 S65 A66 L73 | V59-Q63 HydrophobicContact CG1-CG 4.45Å; V59-Q63 VanDerWaalsContact O-CB 3.3Å; V59-Q63 WeakPolarHBondContact O-CB 3.3Å; V59-Q63 WeakPolarHBondContact O-CG 3.31Å; V59-Q63 PolarHBondContact O-N 2.95Å; Q63-S65 VanDerWaalsContact C-N 3.33Å; Q63-A66 CarbonylContact O-C 3.24Å; Q63-L73 HydrophobicContact CG-CB 4.34Å; Q63-L73 PolarHBondContact NE2-O 3.32Å |
| 64 | K | 95.2 | Very high | 93.6 | Very high | 147 Ų | 147 | 51.7 Ų | 51.7 | 64% | 0.639 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -68.3 | -35.3 | 174.6 | -76.7 | 174.4 | 175 | 175.7 | 0 | 111.9 | E60 I61 | E60-K64 HydrophobicContact CG-CD 4Å; E60-K64 WeakPolarHBondContact O-CB 3.41Å; E60-K64 VanDerWaalsContact O-CG 3.25Å; E60-K64 WeakPolarHBondContact O-CG 3.3Å; E60-K64 PolarHBondContact O-N 3.16Å; E60-K64 IonicContact OE1-NZ 3.18Å; E60-K64 PolarHBondContact OE1-NZ 3.33Å; I61-K64 PolarHBondContact O-N 3.1Å |
| 65 | S | 95.3 | Very high | 93.6 | Very high | 23 Ų | 23 | 55.4 Ų | 55.4 | 16% | 0.161 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -77.6 | -35.9 | -177.4 | -55.7 | 0 | 0 | 0 | 0 | 112.5 | I61 F62 Q63 P67 I99 | I61-S65 WeakPolarHBondContact O-CB 3.44Å; I61-S65 PolarHBondContact O-N 3.25Å; I61-S65 PolarHBondContact O-OG 3.44Å; F62-S65 PolarHBondContact O-N 3.23Å; Q63-S65 VanDerWaalsContact C-N 3.33Å; S65-P67 WeakPolarHBondContact O-CD 3.31Å; S65-I99 WeakPolarHBondContact OG-CG2 3.47Å |
| 66 | A | 94.4 | Very high | 93.6 | Very high | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.008 | 31% | 0.313 | C | S | . | . | trans | -116.6 | 92.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | F62 Q63 S68 L110 I113 L118 | F62-A66 PolarHBondContact O-N 2.87Å; Q63-A66 CarbonylContact O-C 3.24Å; A66-S68 PolarHBondContact O-N 3.3Å; A66-S68 VanDerWaalsContact O-N 3.16Å; A66-L110 WeakPolarHBondContact CA-O 3.37Å; A66-I113 HydrophobicContact CB-CG2 4.42Å; A66-L118 HydrophobicContact CB-CB 4.49Å; A66-L118 HydrophobicContact CB-CD2 3.7Å | ||
| 67 | P | 88.6 | Confident | 93.6 | Very high | 85 Ų | 85 | 63.7 Ų | 63.7 | 55% | 0.552 | 31% | 0.31 | S | S | * | . | trans | -75 | -2.4 | -172.1 | 31 | -36.2 | 0 | 0 | 0 | 114.1 | S65 | S65-P67 WeakPolarHBondContact O-CD 3.31Š| ||
| 68 | S | 85.9 | Confident | 93.6 | Very high | 16 Ų | 16 | 63.4 Ų | 63.4 | 11% | 0.112 | 31% | 0.309 | C | S | . | . | trans | -51.1 | 130.7 | 179.6 | -179.9 | 0 | 0 | 0 | 0 | 111.2 | A66 I70 I113 | A66-S68 PolarHBondContact O-N 3.3Å; A66-S68 VanDerWaalsContact O-N 3.16Å; S68-I70 PolarHBondContact O-N 2.91Å; S68-I113 WeakPolarHBondContact CB-O 3.45Å | ||
| 69 | P | 76.7 | Confident | 93.5 | Very high | 106 Ų | 106 | 65.1 Ų | 65.1 | 69% | 0.688 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -73.1 | -14.4 | -178.2 | 29.9 | -34.3 | 0 | 0 | 0 | 112.5 | ||
| 70 | I | 86.6 | Confident | 93.4 | Very high | 122 Ų | 122 | 66.8 Ų | 66.8 | 63% | 0.626 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | 138.2 | -175.8 | -56.4 | 174.2 | 0 | 0 | 0 | 109 | S68 K72 S114 | S68-I70 PolarHBondContact O-N 2.91Å; I70-K72 VanDerWaalsContact C-N 3.31Å; I70-K72 PolarHBondContact O-N 2.88Å; I70-S114 VanDerWaalsContact O-CB 3.24Å; I70-S114 WeakPolarHBondContact O-CB 3Å |
| 71 | R | 87.9 | Confident | 93.3 | Very high | 89 Ų | 89 | 63.4 Ų | 63.4 | 34% | 0.336 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.9 | 51.6 | 173.2 | -147.6 | -179.7 | 110.9 | 126.1 | -1.3 | 112.4 | L73 Y77 S116 D117 L150 | R71-L73 PolarHBondContact O-N 3.11Å; R71-Y77 PolarHBondContact NH2-OH 3.44Å; R71-Y77 VanDerWaalsContact NH2-OH 3.11Å; R71-S116 WeakPolarHBondContact CD-OG 3.49Å; R71-S116 WeakPolarHBondContact CG-OG 3.36Å; R71-S116 PolarHBondContact NE-OG 2.91Å; R71-S116 WeakPolarHBondContact O-CB 3.38Å; R71-S116 PolarHBondContact O-N 3.02Å; R71-S116 PolarHBondContact O-OG 3.33Å; R71-D117 IonicContact CZ-OD1 2.95Å; R71-D117 IonicContact NE-OD1 2.97Å; R71-D117 PolarHBondContact NE-OD1 3.1Å; R71-D117 IonicContact NE-OD2 3.87Å; R71-D117 IonicContact NH1-OD1 3.92Å; R71-D117 IonicContact NH2-OD1 2.65Å; R71-D117 PolarHBondContact NH2-OD1 2.99Å; R71-L150 VanDerWaalsContact NH1-CD2 3.29Å |
| 72 | K | 94.4 | Very high | 93.2 | Very high | 116 Ų | 116 | 61.8 Ų | 61.8 | 50% | 0.504 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 136.7 | 177.5 | -70.3 | -168.7 | 177.6 | -171.7 | 0 | 110.8 | I70 Q74 S115 | I70-K72 VanDerWaalsContact C-N 3.31Å; I70-K72 PolarHBondContact O-N 2.88Å; K72-Q74 PolarHBondContact O-N 3.48Å; K72-S115 WeakPolarHBondContact CA-OG 3.27Å |
| 73 | L | 96.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 120.1 | 177.8 | 179.3 | 61 | 0 | 0 | 0 | 110.8 | V59 F62 Q63 R71 Y77 A78 S115 F119 | V59-L73 HydrophobicContact CB-CD2 4.48Å; V59-L73 HydrophobicContact CG2-CD2 4.24Å; V59-L73 HydrophobicContact CG2-CG 4.17Å; F62-L73 HydrophobicContact CB-CD2 3.51Å; F62-L73 HydrophobicContact CD2-CD2 4.34Å; F62-L73 HydrophobicContact CG-CD2 4.08Å; Q63-L73 HydrophobicContact CG-CB 4.34Å; Q63-L73 PolarHBondContact NE2-O 3.32Å; R71-L73 PolarHBondContact O-N 3.11Å; L73-Y77 HydrophobicContact CD1-CD1 3.78Å; L73-Y77 HydrophobicContact CD1-CE1 4.45Å; L73-A78 HydrophobicContact CD1-CB 4.02Å; L73-S115 PolarHBondContact N-OG 3.18Å; L73-F119 HydrophobicContact CD1-CB 3.93Å; L73-F119 HydrophobicContact CD1-CD1 3.98Å; L73-F119 HydrophobicContact CD1-CG 3.89Å; L73-F119 HydrophobicContact CD2-CB 3.72Å; L73-F119 HydrophobicContact CD2-CD2 3.88Å; L73-F119 HydrophobicContact CD2-CG 3.86Å; L73-F119 HydrophobicContact CG-CB 4.42Å |
| 74 | Q | 96.1 | Very high | 92.6 | Very high | 133 Ų | 133 | 69.1 Ų | 69.1 | 62% | 0.621 | 33% | 0.334 | S | S | * | . | P | Polyproline II helix | trans | -102.1 | 146.1 | 175.8 | -63.7 | -173.4 | -10.8 | 0 | 0 | 110.6 | K72 K76 Y77 A78 | K72-Q74 PolarHBondContact O-N 3.48Å; Q74-K76 VanDerWaalsContact C-N 3.27Å; Q74-K76 PolarHBondContact O-N 3.21Å; Q74-Y77 WeakPolarHBondContact O-CB 3.4Å; Q74-Y77 PolarHBondContact O-N 2.68Å; Q74-A78 PolarHBondContact O-N 3.35Å |
| 75 | K | 96.4 | Very high | 92.4 | Very high | 78 Ų | 78 | 62.3 Ų | 62.3 | 34% | 0.339 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -51.3 | -44.1 | 176 | -175 | -175.4 | -174 | 159.1 | 0 | 113.3 | C52 T55 D56 V59 Y77 A78 A79 | C52-K75 PolarHBondContact SG-NZ 2.89Å; T55-K75 HydrophobicContact CG2-CG 3.99Å; D56-K75 WeakPolarHBondContact OD1-CD 3.07Å; D56-K75 WeakPolarHBondContact OD1-CE 3.4Å; D56-K75 IonicContact OD1-NZ 2.88Å; D56-K75 PolarHBondContact OD1-NZ 3.43Å; D56-K75 IonicContact OD2-NZ 3.86Å; D56-K75 PolarHBondContact OD2-NZ 2.89Å; V59-K75 HydrophobicContact CG2-CB 4.32Å; K75-Y77 VanDerWaalsContact C-N 3.31Å; K75-Y77 PolarHBondContact O-N 3.33Å; K75-A78 PolarHBondContact O-N 3.46Å; K75-A79 WeakPolarHBondContact O-CB 3.37Å; K75-A79 PolarHBondContact O-N 3.49Å |
| 76 | K | 96.1 | Very high | 92 | Very high | 178 Ų | 178 | 63.8 Ų | 63.8 | 77% | 0.774 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -62.6 | -39 | 179 | -68.7 | -175.5 | 178.6 | -178.8 | 0 | 112.1 | Q74 H80 | Q74-K76 VanDerWaalsContact C-N 3.27Å; Q74-K76 PolarHBondContact O-N 3.21Å; K76-H80 VanDerWaalsContact O-CB 3.27Å; K76-H80 WeakPolarHBondContact O-CB 3.43Å; K76-H80 PolarHBondContact O-N 3.32Å |
| 77 | Y | 96.8 | Very high | 91.8 | Very high | 37 Ų | 37 | 63.7 Ų | 63.7 | 15% | 0.145 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -69.5 | -46.8 | 177.1 | 180 | -99 | 0 | 0 | 0 | 111.1 | R71 L73 Q74 K75 A79 H80 V81 G148 | R71-Y77 PolarHBondContact NH2-OH 3.44Å; R71-Y77 VanDerWaalsContact NH2-OH 3.11Å; L73-Y77 HydrophobicContact CD1-CD1 3.78Å; L73-Y77 HydrophobicContact CD1-CE1 4.45Å; Q74-Y77 WeakPolarHBondContact O-CB 3.4Å; Q74-Y77 PolarHBondContact O-N 2.68Å; K75-Y77 VanDerWaalsContact C-N 3.31Å; K75-Y77 PolarHBondContact O-N 3.33Å; Y77-A79 PolarHBondContact O-N 2.92Å; Y77-H80 WeakPolarHBondContact O-CB 3.34Å; Y77-H80 PolarHBondContact O-N 2.9Å; Y77-H80 VanDerWaalsContact O-N 3.14Å; Y77-V81 HydrophobicContact CD1-CG2 4.15Å; Y77-V81 HydrophobicContact CD2-CG2 4.32Å; Y77-V81 HydrophobicContact CE1-CG2 3.77Å; Y77-V81 HydrophobicContact CE2-CG2 3.93Å; Y77-V81 HydrophobicContact CG-CG2 4.44Å; Y77-V81 WeakPolarHBondContact O-CG2 3.4Å; Y77-V81 PolarHBondContact O-N 3.48Å; Y77-G148 VanDerWaalsContact OH-CA 3.22Å; Y77-G148 WeakPolarHBondContact OH-CA 3.42Å; Y77-G148 PolarHBondContact OH-O 2.6Å |
| 78 | A | 96.9 | Very high | 92 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.5 | -48 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | T55 V59 L73 Q74 K75 H80 A82 F119 | T55-A78 HydrophobicContact CG2-CB 3.7Å; V59-A78 HydrophobicContact CG2-CB 3.97Å; L73-A78 HydrophobicContact CD1-CB 4.02Å; Q74-A78 PolarHBondContact O-N 3.35Å; K75-A78 PolarHBondContact O-N 3.46Å; A78-H80 VanDerWaalsContact C-N 3.31Å; A78-H80 PolarHBondContact O-N 2.73Å; A78-A82 WeakPolarHBondContact O-CB 3.41Å; A78-A82 PolarHBondContact O-N 2.91Å; A78-F119 HydrophobicContact CB-CE1 4.15Å; A78-F119 HydrophobicContact CB-CE2 4.32Å; A78-F119 HydrophobicContact CB-CZ 3.94Å |
| 79 | A | 95 | Very high | 92.4 | Very high | 36 Ų | 36 | 59.9 Ų | 59.9 | 30% | 0.298 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.5 | -30.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | T55 K75 Y77 R83 | T55-A79 HydrophobicContact CG2-CB 4.27Å; K75-A79 WeakPolarHBondContact O-CB 3.37Å; K75-A79 PolarHBondContact O-N 3.49Å; Y77-A79 PolarHBondContact O-N 2.92Å; A79-R83 PolarHBondContact O-N 3.4Å |
| 80 | H | 95.1 | Very high | 93.2 | Very high | 52 Ų | 52 | 57.1 Ų | 57.1 | 24% | 0.241 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.8 | -59 | 174 | 174.2 | -86.7 | 0 | 0 | 0 | 110.2 | K76 Y77 A78 A82 R83 E84 A147 | K76-H80 VanDerWaalsContact O-CB 3.27Å; K76-H80 WeakPolarHBondContact O-CB 3.43Å; K76-H80 PolarHBondContact O-N 3.32Å; Y77-H80 WeakPolarHBondContact O-CB 3.34Å; Y77-H80 PolarHBondContact O-N 2.9Å; Y77-H80 VanDerWaalsContact O-N 3.14Å; A78-H80 VanDerWaalsContact C-N 3.31Å; A78-H80 PolarHBondContact O-N 2.73Å; H80-A82 VanDerWaalsContact C-N 3.25Å; H80-A82 PolarHBondContact O-N 2.98Å; H80-R83 PolarHBondContact O-N 3.13Å; H80-E84 WeakPolarHBondContact O-CG 3.37Å; H80-E84 PolarHBondContact O-N 3.44Å; H80-A147 PolarHBondContact CE1-O 3.18Å; H80-A147 PolarHBondContact ND1-O 3.04Å |
| 81 | V | 95.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -54.8 | -43.8 | 179.7 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | Y77 R83 E84 A85 I87 F119 L120 W144 | Y77-V81 HydrophobicContact CD1-CG2 4.15Å; Y77-V81 HydrophobicContact CD2-CG2 4.32Å; Y77-V81 HydrophobicContact CE1-CG2 3.77Å; Y77-V81 HydrophobicContact CE2-CG2 3.93Å; Y77-V81 HydrophobicContact CG-CG2 4.44Å; Y77-V81 WeakPolarHBondContact O-CG2 3.4Å; Y77-V81 PolarHBondContact O-N 3.48Å; V81-R83 VanDerWaalsContact C-N 3.28Å; V81-R83 PolarHBondContact O-N 3.24Å; V81-E84 PolarHBondContact O-N 3.35Å; V81-A85 WeakPolarHBondContact O-CB 3.18Å; V81-A85 PolarHBondContact O-N 3.02Å; V81-I87 HydrophobicContact CG1-CD1 4.11Å; V81-F119 HydrophobicContact CB-CE1 4.08Å; V81-F119 HydrophobicContact CG1-CE1 3.99Å; V81-L120 HydrophobicContact CG1-CD1 3.6Å; V81-L120 HydrophobicContact CG2-CD1 4.26Å; V81-W144 HydrophobicContact CG1-CZ3 4.2Å |
| 82 | A | 93.4 | Very high | 94 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.008 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.4 | -35.7 | 179 | 0 | 0 | 0 | 0 | 0 | 114.7 | L50 A78 H80 C86 I87 | L50-A82 HydrophobicContact CB-CB 4.04Å; L50-A82 HydrophobicContact CD1-CB 3.71Å; L50-A82 HydrophobicContact CG-CB 3.67Å; A78-A82 WeakPolarHBondContact O-CB 3.41Å; A78-A82 PolarHBondContact O-N 2.91Å; H80-A82 VanDerWaalsContact C-N 3.25Å; H80-A82 PolarHBondContact O-N 2.98Å; A82-C86 PolarHBondContact O-N 3.44Å; A82-I87 HydrophobicContact CB-CB 4.28Å; A82-I87 HydrophobicContact CB-CD1 4.31Å; A82-I87 PolarHBondContact O-N 3.49Å |
| 83 | R | 91.3 | Very high | 94.2 | Very high | 130 Ų | 130 | 41.6 Ų | 41.6 | 49% | 0.491 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -83.3 | -41.2 | 178.8 | -175.4 | -175.4 | 62.2 | -101.6 | -11.9 | 111.8 | A79 H80 V81 A85 | A79-R83 PolarHBondContact O-N 3.4Å; H80-R83 PolarHBondContact O-N 3.13Å; V81-R83 VanDerWaalsContact C-N 3.28Å; V81-R83 PolarHBondContact O-N 3.24Å; R83-A85 VanDerWaalsContact C-N 3.32Å |
| 84 | E | 91.5 | Very high | 94.2 | Very high | 102 Ų | 102 | 41.9 Ų | 41.9 | 48% | 0.477 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -71.3 | -28.9 | -178 | -59.6 | -52.9 | 126.1 | 0 | 0 | 112.4 | H80 V81 A147 | H80-E84 WeakPolarHBondContact O-CG 3.37Å; H80-E84 PolarHBondContact O-N 3.44Å; V81-E84 PolarHBondContact O-N 3.35Å; E84-A147 HydrophobicContact CB-CB 3.84Å |
| 85 | A | 89.1 | Confident | 94.3 | Very high | 4 Ų | 4 | 35.6 Ų | 35.6 | 3% | 0.033 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106 | 18.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | V81 R83 I87 W144 A147 | V81-A85 WeakPolarHBondContact O-CB 3.18Å; V81-A85 PolarHBondContact O-N 3.02Å; R83-A85 VanDerWaalsContact C-N 3.32Å; A85-I87 VanDerWaalsContact C-N 3.3Å; A85-I87 HydrophobicContact CB-CG1 4.28Å; A85-I87 PolarHBondContact O-N 2.95Å; A85-I87 VanDerWaalsContact O-N 3.13Å; A85-W144 HydrophobicContact CB-CD2 4.17Å; A85-W144 HydrophobicContact CB-CE3 3.88Å; A85-W144 HydrophobicContact CB-CH2 3.58Å; A85-W144 HydrophobicContact CB-CZ2 3.86Å; A85-W144 HydrophobicContact CB-CZ3 3.6Å; A85-A147 HydrophobicContact CB-CB 4.41Å |
| 86 | C | 88.1 | Confident | 94.4 | Very high | 53 Ų | 53 | 32.3 Ų | 32.3 | 36% | 0.358 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.7 | 45.2 | 175.6 | -62.4 | 0 | 0 | 0 | 0 | 114.5 | D48 A82 S88 | D48-C86 HydrophobicContact CB-CB 4.2Å; D48-C86 CarbonylContact O-C 3.52Å; D48-C86 VanDerWaalsContact O-CA 3.3Å; D48-C86 WeakPolarHBondContact O-CA 3.3Å; A82-C86 PolarHBondContact O-N 3.44Å; C86-S88 PolarHBondContact O-N 2.93Å |
| 87 | I | 91 | Very high | 94.5 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | trans | -70.9 | 116.1 | -172.5 | -62.2 | -176.9 | 0 | 0 | 0 | 110.4 | L50 V81 A82 A85 A91 M123 W144 | L50-I87 HydrophobicContact CD2-CG2 4.17Å; L50-I87 HydrophobicContact CG-CG2 4.39Å; V81-I87 HydrophobicContact CG1-CD1 4.11Å; A82-I87 HydrophobicContact CB-CB 4.28Å; A82-I87 HydrophobicContact CB-CD1 4.31Å; A82-I87 PolarHBondContact O-N 3.49Å; A85-I87 VanDerWaalsContact C-N 3.3Å; A85-I87 HydrophobicContact CB-CG1 4.28Å; A85-I87 PolarHBondContact O-N 2.95Å; A85-I87 VanDerWaalsContact O-N 3.13Å; I87-A91 HydrophobicContact CG2-CB 4.32Å; I87-M123 HydrophobicContact CD1-CB 3.58Å; I87-M123 HydrophobicContact CD1-CG 3.68Å; I87-M123 HydrophobicContact CD1-SD 4.27Å; I87-M123 HydrophobicContact CG1-CB 4.5Å; I87-M123 HydrophobicContact CG2-SD 3.84Å; I87-W144 HydrophobicContact CD1-CH2 3.94Å; I87-W144 HydrophobicContact CD1-CZ3 4.1Å; I87-W144 HydrophobicContact CG1-CH2 3.9Å; I87-W144 HydrophobicContact CG1-CZ3 4.48Å | ||
| 88 | S | 91.9 | Very high | 94.6 | Very high | 16 Ų | 16 | 22.3 Ų | 22.3 | 11% | 0.112 | 12% | 0.119 | C | C | . | . | trans | -77.6 | 156.6 | 174.6 | 71.8 | 0 | 0 | 0 | 0 | 112.7 | C86 C90 A91 M92 Y131 | C86-S88 PolarHBondContact O-N 2.93Å; S88-C90 PolarHBondContact O-N 3.24Å; S88-A91 PolarHBondContact O-N 3.34Å; S88-A91 PolarHBondContact OG-N 2.91Å; S88-M92 PolarHBondContact O-N 3.4Å; S88-M92 VanDerWaalsContact O-N 3.12Å; S88-Y131 WeakPolarHBondContact CB-OH 3.23Å; S88-Y131 PolarHBondContact OG-OH 3.4Å; S88-Y131 VanDerWaalsContact OG-OH 3.1Å | ||
| 89 | P | 93.3 | Very high | 94.6 | Very high | 4 Ų | 4 | 22.6 Ų | 22.6 | 3% | 0.026 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -54.2 | -40.6 | 169.7 | -24.3 | 31.1 | 0 | 0 | 0 | 111.7 | V33 L37 Y39 L47 A91 M92 M93 | V33-P89 HydrophobicContact CG1-CB 3.64Å; V33-P89 HydrophobicContact CG1-CG 3.73Å; L37-P89 HydrophobicContact CD1-CB 4.41Å; Y39-P89 HydrophobicContact CE2-CG 4.06Å; L47-P89 HydrophobicContact CB-CG 4.17Å; L47-P89 HydrophobicContact CD1-CG 4.45Å; L47-P89 HydrophobicContact CD2-CG 4.45Å; L47-P89 VanDerWaalsContact O-CD 3.29Å; L47-P89 WeakPolarHBondContact O-CD 3.34Å; P89-A91 PolarHBondContact O-N 2.99Å; P89-M92 WeakPolarHBondContact O-CA 3.41Å; P89-M92 VanDerWaalsContact O-CB 3.32Å; P89-M92 WeakPolarHBondContact O-CB 3.38Å; P89-M92 PolarHBondContact O-N 2.86Å; P89-M92 VanDerWaalsContact O-N 3.1Å; P89-M93 HydrophobicContact CB-CE 3.77Å; P89-M93 WeakPolarHBondContact O-CE 3.36Å; P89-M93 PolarHBondContact O-N 3.11Å |
| 90 | C | 93.8 | Very high | 94.6 | Very high | 48 Ų | 48 | 23.9 Ų | 23.9 | 32% | 0.324 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -58.3 | -46.6 | 179.1 | -65.7 | 0 | 0 | 0 | 0 | 111.9 | S88 M92 M93 L94 L130 F177 | S88-C90 PolarHBondContact O-N 3.24Å; C90-M92 VanDerWaalsContact C-N 3.3Å; C90-M92 PolarHBondContact O-N 2.98Å; C90-M93 PolarHBondContact O-N 3Å; C90-L94 VanDerWaalsContact O-CD1 3.27Å; C90-L94 WeakPolarHBondContact O-CD1 3.4Å; C90-L94 PolarHBondContact O-N 2.78Å; C90-L94 VanDerWaalsContact O-N 3.07Å; C90-L130 HydrophobicContact CB-CD1 3.99Å; C90-F177 HydrophobicContact CB-CE2 4.48Å |
| 91 | A | 95.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.3 | -40.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | I87 S88 P89 M93 L94 A95 A126 L130 | I87-A91 HydrophobicContact CG2-CB 4.32Å; S88-A91 PolarHBondContact O-N 3.34Å; S88-A91 PolarHBondContact OG-N 2.91Å; P89-A91 PolarHBondContact O-N 2.99Å; A91-M93 PolarHBondContact O-N 2.73Å; A91-L94 PolarHBondContact O-N 3.19Å; A91-A95 WeakPolarHBondContact O-CB 3.18Å; A91-A95 PolarHBondContact O-N 3.29Å; A91-A126 HydrophobicContact CB-CB 4.34Å; A91-A126 VanDerWaalsContact O-CB 3.3Å; A91-A126 WeakPolarHBondContact O-CB 3.37Å; A91-L130 HydrophobicContact CB-CD1 3.95Å |
| 92 | M | 96.9 | Very high | 94.7 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -59 | -45.6 | 174 | 171 | 63.8 | 64 | 0 | 0 | 112.4 | L50 V54 A58 F62 S88 P89 C90 A95 L96 F119 M123 | L50-M92 HydrophobicContact CD1-CE 3.16Å; L50-M92 HydrophobicContact CD2-CB 3.99Å; L50-M92 HydrophobicContact CD2-CE 3.76Å; L50-M92 HydrophobicContact CD2-CG 4.35Å; L50-M92 HydrophobicContact CG-CE 4.08Å; V54-M92 HydrophobicContact CG1-CE 4.48Å; V54-M92 HydrophobicContact CG1-CG 4.29Å; A58-M92 HydrophobicContact CB-CE 3.83Å; A58-M92 HydrophobicContact CB-SD 4.11Å; F62-M92 HydrophobicContact CE2-SD 4.42Å; S88-M92 PolarHBondContact O-N 3.4Å; S88-M92 VanDerWaalsContact O-N 3.12Å; P89-M92 WeakPolarHBondContact O-CA 3.41Å; P89-M92 VanDerWaalsContact O-CB 3.32Å; P89-M92 WeakPolarHBondContact O-CB 3.38Å; P89-M92 PolarHBondContact O-N 2.86Å; P89-M92 VanDerWaalsContact O-N 3.1Å; C90-M92 VanDerWaalsContact C-N 3.3Å; C90-M92 PolarHBondContact O-N 2.98Å; M92-A95 PolarHBondContact O-N 2.91Å; M92-L96 HydrophobicContact CG-CD1 4.27Å; M92-L96 WeakPolarHBondContact O-CG 3.48Å; M92-L96 PolarHBondContact O-N 3.38Å; M92-L96 HydrophobicContact SD-CD1 4.04Å; M92-L96 HydrophobicContact SD-CD2 4.46Å; M92-L96 HydrophobicContact SD-CG 3.98Å; M92-F119 HydrophobicContact CE-CE2 4.01Å; M92-M123 HydrophobicContact CB-SD 4.37Å; M92-M123 HydrophobicContact CE-CE 3.47Å; M92-M123 VanDerWaalsContact CE-CE 3.47Å; M92-M123 HydrophobicContact CE-SD 3.89Å; M92-M123 HydrophobicContact SD-CE 3.43Å; M92-M123 WeakPolarHBondContact SD-CE 3.33Å; M92-M123 HydrophobicContact SD-SD 4.34Å |
| 93 | M | 97.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.2 | -45.2 | 177.3 | -85.6 | 73.6 | 80 | 0 | 0 | 111.6 | P89 C90 A91 L96 V97 F177 I180 L181 L184 | P89-M93 HydrophobicContact CB-CE 3.77Å; P89-M93 WeakPolarHBondContact O-CE 3.36Å; P89-M93 PolarHBondContact O-N 3.11Å; C90-M93 PolarHBondContact O-N 3Å; A91-M93 PolarHBondContact O-N 2.73Å; M93-L96 PolarHBondContact O-N 3.42Å; M93-V97 WeakPolarHBondContact O-CG2 3.19Å; M93-V97 PolarHBondContact O-N 3.27Å; M93-F177 HydrophobicContact CB-CD2 3.69Å; M93-F177 HydrophobicContact CB-CE2 3.38Å; M93-F177 HydrophobicContact CB-CZ 4Å; M93-F177 HydrophobicContact CE-CE2 4.17Å; M93-F177 HydrophobicContact CE-CZ 3.68Å; M93-F177 HydrophobicContact CG-CD2 4.45Å; M93-F177 HydrophobicContact CG-CE2 4.01Å; M93-F177 HydrophobicContact CG-CZ 4.12Å; M93-I180 HydrophobicContact CB-CG2 4.34Å; M93-I180 HydrophobicContact CG-CG2 4.17Å; M93-L181 HydrophobicContact CE-CD1 4.15Å; M93-L181 HydrophobicContact CG-CB 4.15Å; M93-L181 HydrophobicContact CG-CD1 4.48Å; M93-L181 HydrophobicContact SD-CD1 4.08Å; M93-L184 HydrophobicContact SD-CD2 4.26Å |
| 94 | L | 97.9 | Very high | 94.9 | Very high | 7 Ų | 7 | 29.6 Ų | 29.6 | 4% | 0.037 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.7 | -44.9 | 177.5 | -91.2 | 72.4 | 0 | 0 | 0 | 111.5 | C90 A91 L96 V97 Y98 A126 Y129 L130 F177 | C90-L94 VanDerWaalsContact O-CD1 3.27Å; C90-L94 WeakPolarHBondContact O-CD1 3.4Å; C90-L94 PolarHBondContact O-N 2.78Å; C90-L94 VanDerWaalsContact O-N 3.07Å; A91-L94 PolarHBondContact O-N 3.19Å; L94-L96 VanDerWaalsContact C-N 3.29Å; L94-L96 PolarHBondContact O-N 3.05Å; L94-V97 WeakPolarHBondContact O-CA 3.46Å; L94-V97 WeakPolarHBondContact O-CB 3.33Å; L94-V97 PolarHBondContact O-N 3.12Å; L94-V97 VanDerWaalsContact O-N 3.09Å; L94-Y98 HydrophobicContact CB-CE2 4.45Å; L94-Y98 VanDerWaalsContact O-CD1 3.27Å; L94-Y98 WeakPolarHBondContact O-CD1 3.47Å; L94-Y98 PolarHBondContact O-N 3.35Å; L94-A126 HydrophobicContact CB-CB 3.83Å; L94-Y129 HydrophobicContact CD2-CD1 3.4Å; L94-Y129 HydrophobicContact CD2-CE1 3.88Å; L94-Y129 HydrophobicContact CD2-CG 4.39Å; L94-L130 HydrophobicContact CD1-CD1 4.41Å; L94-L130 HydrophobicContact CD1-CD2 4.26Å; L94-L130 HydrophobicContact CD2-CD1 4.16Å; L94-L130 HydrophobicContact CD2-CD2 3.7Å; L94-L130 HydrophobicContact CD2-CG 3.79Å; L94-F177 HydrophobicContact CD1-CD2 3.63Å; L94-F177 HydrophobicContact CD1-CE2 3.8Å |
| 95 | A | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.2 | -41.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A91 M92 Y98 I99 M123 A126 | A91-A95 WeakPolarHBondContact O-CB 3.18Å; A91-A95 PolarHBondContact O-N 3.29Å; M92-A95 PolarHBondContact O-N 2.91Å; A95-Y98 WeakPolarHBondContact O-CB 3.48Å; A95-Y98 PolarHBondContact O-N 2.95Å; A95-Y98 VanDerWaalsContact O-N 3.14Å; A95-I99 WeakPolarHBondContact O-CG1 3.35Å; A95-I99 PolarHBondContact O-N 2.67Å; A95-M123 HydrophobicContact CB-CE 3.22Å; A95-M123 HydrophobicContact CB-SD 3.81Å; A95-A126 HydrophobicContact CB-CB 4.06Å |
| 96 | L | 98 | Very high | 95.3 | Very high | 10 Ų | 10 | 32.5 Ų | 32.5 | 5% | 0.052 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.6 | -37.2 | 174.7 | -71.3 | 177.5 | 0 | 0 | 0 | 112.6 | I61 F62 M92 M93 L94 Y98 I99 E100 I180 L184 | I61-L96 HydrophobicContact CB-CD2 4.37Å; I61-L96 HydrophobicContact CD1-CD1 4.44Å; I61-L96 HydrophobicContact CD1-CD2 4.11Å; I61-L96 HydrophobicContact CG2-CD2 3.77Å; F62-L96 HydrophobicContact CE2-CD2 3.95Å; F62-L96 HydrophobicContact CZ-CD2 4.35Å; M92-L96 HydrophobicContact CG-CD1 4.27Å; M92-L96 WeakPolarHBondContact O-CG 3.48Å; M92-L96 PolarHBondContact O-N 3.38Å; M92-L96 HydrophobicContact SD-CD1 4.04Å; M92-L96 HydrophobicContact SD-CD2 4.46Å; M92-L96 HydrophobicContact SD-CG 3.98Å; M93-L96 PolarHBondContact O-N 3.42Å; L94-L96 VanDerWaalsContact C-N 3.29Å; L94-L96 PolarHBondContact O-N 3.05Å; L96-Y98 VanDerWaalsContact C-N 3.29Å; L96-Y98 PolarHBondContact O-N 3.39Å; L96-I99 PolarHBondContact O-N 3.05Å; L96-E100 PolarHBondContact O-N 3.22Å; L96-I180 HydrophobicContact CB-CG2 3.6Å; L96-I180 HydrophobicContact CD1-CG2 3.89Å; L96-I180 HydrophobicContact CG-CG2 4.41Å; L96-L184 HydrophobicContact CD1-CD2 4.46Å |
| 97 | V | 98.1 | Very high | 95.6 | Very high | 5 Ų | 5 | 33.1 Ų | 33.1 | 3% | 0.03 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.2 | -43.3 | 169.2 | 172.4 | 0 | 0 | 0 | 0 | 110.3 | M93 L94 I99 E100 R101 T172 D176 I180 | M93-V97 WeakPolarHBondContact O-CG2 3.19Å; M93-V97 PolarHBondContact O-N 3.27Å; L94-V97 WeakPolarHBondContact O-CA 3.46Å; L94-V97 WeakPolarHBondContact O-CB 3.33Å; L94-V97 PolarHBondContact O-N 3.12Å; L94-V97 VanDerWaalsContact O-N 3.09Å; V97-I99 VanDerWaalsContact C-N 3.34Å; V97-I99 PolarHBondContact O-N 3.13Å; V97-E100 WeakPolarHBondContact O-CB 3.49Å; V97-E100 PolarHBondContact O-N 2.99Å; V97-R101 HydrophobicContact CG1-CG 4.43Å; V97-R101 WeakPolarHBondContact O-CG 3.42Å; V97-R101 PolarHBondContact O-N 3.43Å; V97-T172 HydrophobicContact CB-CG2 4.33Å; V97-T172 HydrophobicContact CG1-CG2 4.01Å; V97-T172 HydrophobicContact CG2-CG2 3.97Å; V97-D176 HydrophobicContact CG1-CB 4.29Å; V97-D176 HydrophobicContact CG2-CB 4.19Å; V97-I180 HydrophobicContact CB-CG1 4.5Å; V97-I180 HydrophobicContact CG2-CB 4.22Å; V97-I180 HydrophobicContact CG2-CG1 3.51Å |
| 98 | Y | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.1 | -39 | 179.5 | -59.2 | -16.1 | 0 | 0 | 0 | 112.3 | L94 A95 L96 E100 R101 L102 V125 A126 F162 I166 L170 | L94-Y98 HydrophobicContact CB-CE2 4.45Å; L94-Y98 VanDerWaalsContact O-CD1 3.27Å; L94-Y98 WeakPolarHBondContact O-CD1 3.47Å; L94-Y98 PolarHBondContact O-N 3.35Å; A95-Y98 WeakPolarHBondContact O-CB 3.48Å; A95-Y98 PolarHBondContact O-N 2.95Å; A95-Y98 VanDerWaalsContact O-N 3.14Å; L96-Y98 VanDerWaalsContact C-N 3.29Å; L96-Y98 PolarHBondContact O-N 3.39Å; Y98-E100 VanDerWaalsContact C-N 3.35Å; Y98-R101 PolarHBondContact O-N 3.42Å; Y98-L102 WeakPolarHBondContact O-CB 3.47Å; Y98-L102 WeakPolarHBondContact O-CG 3.38Å; Y98-L102 PolarHBondContact O-N 3.35Å; Y98-V125 HydrophobicContact CE2-CG1 4.08Å; Y98-A126 HydrophobicContact CD2-CB 4.42Å; Y98-A126 HydrophobicContact CE2-CB 3.88Å; Y98-F162 HydrophobicContact CD2-CE1 4.27Å; Y98-F162 HydrophobicContact CD2-CZ 4.35Å; Y98-I166 HydrophobicContact CD1-CD1 3.99Å; Y98-I166 HydrophobicContact CG-CD1 3.92Å; Y98-L170 HydrophobicContact CE1-CD2 4.41Å; Y98-L170 VanDerWaalsContact CE1-O 3.27Å; Y98-L170 WeakPolarHBondContact CE1-O 3.45Å; Y98-L170 HydrophobicContact CE2-CD2 4.12Å; Y98-L170 PolarHBondContact OH-O 2.61Å |
| 99 | I | 97.1 | Very high | 95.9 | Very high | 5 Ų | 5 | 39 Ų | 39 | 3% | 0.026 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.7 | -42.7 | 174.1 | -61.4 | -38.8 | 0 | 0 | 0 | 111.1 | F62 S65 A95 L96 V97 R101 L102 R103 L118 F162 | F62-I99 HydrophobicContact CD1-CG1 4.26Å; F62-I99 HydrophobicContact CE1-CD1 3.82Å; F62-I99 HydrophobicContact CE1-CG1 3.55Å; F62-I99 HydrophobicContact CZ-CG1 3.98Å; S65-I99 WeakPolarHBondContact OG-CG2 3.47Å; A95-I99 WeakPolarHBondContact O-CG1 3.35Å; A95-I99 PolarHBondContact O-N 2.67Å; L96-I99 PolarHBondContact O-N 3.05Å; V97-I99 VanDerWaalsContact C-N 3.34Å; V97-I99 PolarHBondContact O-N 3.13Å; I99-R101 VanDerWaalsContact C-N 3.33Å; I99-R101 PolarHBondContact O-N 2.99Å; I99-L102 HydrophobicContact CD1-CD1 4.39Å; I99-L102 PolarHBondContact O-N 3.34Å; I99-R103 PolarHBondContact O-N 3.13Å; I99-L118 HydrophobicContact CD1-CD1 3.53Å; I99-L118 HydrophobicContact CD1-CD2 3.91Å; I99-L118 HydrophobicContact CD1-CG 3.66Å; I99-F162 HydrophobicContact CD1-CE2 4.42Å |
| 100 | E | 96.3 | Very high | 96 | Very high | 64 Ų | 64 | 39.1 Ų | 39.1 | 30% | 0.299 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -62 | -41.6 | 177 | -174.5 | 57.5 | -153.3 | 0 | 0 | 111.6 | L96 V97 Y98 R103 H104 | L96-E100 PolarHBondContact O-N 3.22Å; V97-E100 WeakPolarHBondContact O-CB 3.49Å; V97-E100 PolarHBondContact O-N 2.99Å; Y98-E100 VanDerWaalsContact C-N 3.35Å; E100-R103 WeakPolarHBondContact O-CB 3.35Å; E100-R103 PolarHBondContact O-N 3.13Å; E100-R103 IonicContact OE1-CZ 2.68Å; E100-R103 IonicContact OE1-NE 3.46Å; E100-R103 PolarHBondContact OE1-NE 3.35Å; E100-R103 IonicContact OE1-NH2 2.56Å; E100-R103 PolarHBondContact OE1-NH2 3.5Å; E100-R103 IonicContact OE2-CZ 3.39Å; E100-R103 IonicContact OE2-NE 3.98Å; E100-R103 PolarHBondContact OE2-NE 2.77Å; E100-R103 IonicContact OE2-NH1 3.39Å; E100-R103 IonicContact OE2-NH2 2.73Å; E100-R103 PolarHBondContact OE2-NH2 2.99Å; E100-H104 PolarHBondContact O-CD2 3.44Å; E100-H104 IonicContact OE1-CD2 2.8Å; E100-H104 IonicContact OE1-CE1 3.77Å; E100-H104 IonicContact OE1-NE2 3.48Å; E100-H104 PolarHBondContact OE1-NE2 3.46Å |
| 101 | R | 96.3 | Very high | 95.9 | Very high | 36 Ų | 36 | 43 Ų | 43 | 14% | 0.136 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.1 | -46.4 | 174.7 | -71.3 | 173.1 | -178.7 | -175 | -1.7 | 112.1 | V97 Y98 I99 R103 H104 R105 I166 S169 F171 D176 | V97-R101 HydrophobicContact CG1-CG 4.43Å; V97-R101 WeakPolarHBondContact O-CG 3.42Å; V97-R101 PolarHBondContact O-N 3.43Å; Y98-R101 PolarHBondContact O-N 3.42Å; I99-R101 VanDerWaalsContact C-N 3.33Å; I99-R101 PolarHBondContact O-N 2.99Å; R101-R103 PolarHBondContact O-N 3.34Å; R101-H104 PolarHBondContact O-N 2.96Å; R101-R105 WeakPolarHBondContact O-CB 3.21Å; R101-R105 WeakPolarHBondContact O-CG 3.5Å; R101-R105 PolarHBondContact O-N 3.33Å; R101-I166 HydrophobicContact CB-CD1 4.13Å; R101-I166 HydrophobicContact CB-CG1 4.31Å; R101-S169 PolarHBondContact NH1-O 3.5Å; R101-F171 VanDerWaalsContact CZ-O 3.24Å; R101-F171 PolarHBondContact NH1-O 3.46Å; R101-F171 PolarHBondContact NH2-O 2.91Å; R101-D176 IonicContact NH2-OD2 2.83Å; R101-D176 PolarHBondContact NH2-OD2 3.28Å; R101-D176 VanDerWaalsContact NH2-OD2 3.11Å |
| 102 | L | 96.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60 | -36.5 | 177.3 | -80.9 | 173 | 0 | 0 | 0 | 112.1 | Y98 I99 H104 R105 N106 Y109 L110 L118 F162 A165 I166 | Y98-L102 WeakPolarHBondContact O-CB 3.47Å; Y98-L102 WeakPolarHBondContact O-CG 3.38Å; Y98-L102 PolarHBondContact O-N 3.35Å; I99-L102 HydrophobicContact CD1-CD1 4.39Å; I99-L102 PolarHBondContact O-N 3.34Å; L102-H104 PolarHBondContact O-N 3.1Å; L102-R105 PolarHBondContact O-N 3.47Å; L102-N106 HydrophobicContact CD2-CB 4.42Å; L102-N106 CarbonylContact O-C 3.48Å; L102-N106 WeakPolarHBondContact O-CA 3.35Å; L102-N106 PolarHBondContact O-N 3.09Å; L102-Y109 HydrophobicContact CD1-CD1 4.25Å; L102-Y109 HydrophobicContact CD1-CE1 4.18Å; L102-Y109 HydrophobicContact CD2-CD1 4.27Å; L102-L110 HydrophobicContact CB-CD1 4.36Å; L102-L110 HydrophobicContact CB-CD2 4.22Å; L102-L110 HydrophobicContact CB-CG 4.33Å; L102-L110 HydrophobicContact CD1-CD2 4.39Å; L102-L118 HydrophobicContact CD1-CD1 4.4Å; L102-F162 HydrophobicContact CD1-CD2 3.92Å; L102-F162 HydrophobicContact CD1-CE2 3.36Å; L102-F162 HydrophobicContact CD1-CZ 3.92Å; L102-A165 HydrophobicContact CD2-CB 3.78Å; L102-A165 WeakPolarHBondContact CD2-O 3.49Å; L102-I166 HydrophobicContact CD2-CB 4.02Å; L102-I166 HydrophobicContact CG-CB 4.34Å; L102-I166 HydrophobicContact CG-CD1 4.46Å; L102-I166 HydrophobicContact CG-CG1 4.43Å |
| 103 | R | 94.9 | Very high | 95.8 | Very high | 132 Ų | 132 | 50.9 Ų | 50.9 | 50% | 0.498 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59 | -36.2 | 178.3 | -172.8 | 170.3 | 69.3 | 163.2 | 4.8 | 112.8 | I99 E100 R101 L110 | I99-R103 PolarHBondContact O-N 3.13Å; E100-R103 WeakPolarHBondContact O-CB 3.35Å; E100-R103 PolarHBondContact O-N 3.13Å; E100-R103 IonicContact OE1-CZ 2.68Å; E100-R103 IonicContact OE1-NE 3.46Å; E100-R103 PolarHBondContact OE1-NE 3.35Å; E100-R103 IonicContact OE1-NH2 2.56Å; E100-R103 PolarHBondContact OE1-NH2 3.5Å; E100-R103 IonicContact OE2-CZ 3.39Å; E100-R103 IonicContact OE2-NE 3.98Å; E100-R103 PolarHBondContact OE2-NE 2.77Å; E100-R103 IonicContact OE2-NH1 3.39Å; E100-R103 IonicContact OE2-NH2 2.73Å; E100-R103 PolarHBondContact OE2-NH2 2.99Å; R101-R103 PolarHBondContact O-N 3.34Å; R103-L110 HydrophobicContact CB-CD1 4.14Å |
| 104 | H | 93.1 | Very high | 95.8 | Very high | 134 Ų | 134 | 51.2 Ų | 51.2 | 62% | 0.62 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -89.2 | -35 | 179.3 | -62.4 | -59.4 | 0 | 0 | 0 | 113.1 | E100 R101 L102 | E100-H104 PolarHBondContact O-CD2 3.44Å; E100-H104 IonicContact OE1-CD2 2.8Å; E100-H104 IonicContact OE1-CE1 3.77Å; E100-H104 IonicContact OE1-NE2 3.48Å; E100-H104 PolarHBondContact OE1-NE2 3.46Å; R101-H104 PolarHBondContact O-N 2.96Å; L102-H104 PolarHBondContact O-N 3.1Å |
| 105 | R | 93.7 | Very high | 95.7 | Very high | 116 Ų | 116 | 50.9 Ų | 50.9 | 44% | 0.438 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -87.6 | -43.3 | -175.1 | -66.3 | -168.2 | -174.2 | -167.9 | 12.3 | 113.9 | R101 L102 E167 S169 | R101-R105 WeakPolarHBondContact O-CB 3.21Å; R101-R105 WeakPolarHBondContact O-CG 3.5Å; R101-R105 PolarHBondContact O-N 3.33Å; L102-R105 PolarHBondContact O-N 3.47Å; R105-E167 IonicContact CZ-OE2 3.42Å; R105-E167 IonicContact NH1-OE2 2.66Å; R105-E167 PolarHBondContact NH1-OE2 3.46Å; R105-S169 PolarHBondContact NH2-OG 2.84Å |
| 106 | N | 95.3 | Very high | 95.7 | Very high | 51 Ų | 51 | 51.1 Ų | 51.1 | 27% | 0.273 | 23% | 0.233 | S | C | . | . | trans | -142.7 | 69.8 | -173 | -163.5 | -20.4 | 0 | 0 | 0 | 111.9 | L102 E108 Y109 | L102-N106 HydrophobicContact CD2-CB 4.42Å; L102-N106 CarbonylContact O-C 3.48Å; L102-N106 WeakPolarHBondContact O-CA 3.35Å; L102-N106 PolarHBondContact O-N 3.09Å; N106-E108 PolarHBondContact O-N 2.84Å; N106-Y109 WeakPolarHBondContact O-CB 3.42Å; N106-Y109 PolarHBondContact O-N 2.8Å; N106-Y109 WeakPolarHBondContact OD1-CB 3.38Å; N106-Y109 PolarHBondContact OD1-N 2.77Å | ||
| 107 | P | 94.3 | Very high | 95.7 | Very high | 66 Ų | 66 | 52 Ų | 52 | 43% | 0.429 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65.6 | -22.7 | 178.5 | 27.5 | -35.4 | 0 | 0 | 0 | 112.7 | L110 Q111 | P107-L110 PolarHBondContact O-N 2.92Å; P107-Q111 WeakPolarHBondContact O-CG 3.43Å; P107-Q111 PolarHBondContact O-N 3.33Å |
| 108 | E | 94.3 | Very high | 95.6 | Very high | 119 Ų | 119 | 51.7 Ų | 51.7 | 56% | 0.556 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -68 | -37.8 | 176.1 | -68 | -166.7 | -175.5 | 0 | 0 | 112.6 | N106 L110 Q111 K112 | N106-E108 PolarHBondContact O-N 2.84Å; E108-L110 VanDerWaalsContact C-N 3.3Å; E108-L110 PolarHBondContact O-N 3.4Å; E108-Q111 PolarHBondContact O-N 3.17Å; E108-K112 WeakPolarHBondContact O-CG 3.18Å; E108-K112 PolarHBondContact O-N 3.48Å; E108-K112 IonicContact OE2-NZ 3.66Å |
| 109 | Y | 95.6 | Very high | 95.6 | Very high | 20 Ų | 20 | 51.7 Ų | 51.7 | 8% | 0.078 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.3 | -45.2 | 174.5 | 175.3 | -96.8 | 0 | 0 | 0 | 110.9 | L102 N106 Q111 K112 I113 L118 S161 F162 A165 | L102-Y109 HydrophobicContact CD1-CD1 4.25Å; L102-Y109 HydrophobicContact CD1-CE1 4.18Å; L102-Y109 HydrophobicContact CD2-CD1 4.27Å; N106-Y109 WeakPolarHBondContact O-CB 3.42Å; N106-Y109 PolarHBondContact O-N 2.8Å; N106-Y109 WeakPolarHBondContact OD1-CB 3.38Å; N106-Y109 PolarHBondContact OD1-N 2.77Å; Y109-Q111 PolarHBondContact O-N 3.34Å; Y109-K112 PolarHBondContact O-N 2.91Å; Y109-I113 HydrophobicContact CD1-CG2 4.23Å; Y109-I113 HydrophobicContact CE1-CB 4.36Å; Y109-I113 HydrophobicContact CE1-CD1 4.02Å; Y109-I113 HydrophobicContact CE1-CG2 3.97Å; Y109-I113 WeakPolarHBondContact O-CG2 3.47Å; Y109-I113 PolarHBondContact O-N 3.46Å; Y109-I113 WeakPolarHBondContact OH-CD1 3.32Å; Y109-L118 HydrophobicContact CE1-CD1 4.29Å; Y109-S161 WeakPolarHBondContact CE2-OG 3.43Å; Y109-F162 HydrophobicContact CE1-CD2 4.08Å; Y109-F162 WeakPolarHBondContact OH-CA 3.2Å; Y109-F162 WeakPolarHBondContact OH-CB 3.46Å; Y109-A165 HydrophobicContact CD1-CB 4Å; Y109-A165 HydrophobicContact CD2-CB 3.65Å; Y109-A165 HydrophobicContact CE1-CB 4.33Å; Y109-A165 HydrophobicContact CE2-CB 3.99Å; Y109-A165 HydrophobicContact CG-CB 3.64Å |
| 110 | L | 95.3 | Very high | 95.7 | Very high | 8 Ų | 8 | 51.5 Ų | 51.5 | 4% | 0.042 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.9 | -28.6 | 178.7 | -68.7 | -178.9 | 0 | 0 | 0 | 113.6 | A66 L102 R103 P107 E108 K112 L118 | A66-L110 WeakPolarHBondContact CA-O 3.37Å; L102-L110 HydrophobicContact CB-CD1 4.36Å; L102-L110 HydrophobicContact CB-CD2 4.22Å; L102-L110 HydrophobicContact CB-CG 4.33Å; L102-L110 HydrophobicContact CD1-CD2 4.39Å; R103-L110 HydrophobicContact CB-CD1 4.14Å; P107-L110 PolarHBondContact O-N 2.92Å; E108-L110 VanDerWaalsContact C-N 3.3Å; E108-L110 PolarHBondContact O-N 3.4Å; L110-K112 VanDerWaalsContact C-N 3.33Å; L110-L118 HydrophobicContact CD2-CD1 4.11Å; L110-L118 HydrophobicContact CD2-CD2 3.67Å |
| 111 | Q | 92.6 | Very high | 95.7 | Very high | 128 Ų | 128 | 48.4 Ų | 48.4 | 60% | 0.598 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -73.7 | -26.1 | 175.2 | -67.3 | 176.2 | 34.6 | 0 | 0 | 112.9 | P107 E108 Y109 | P107-Q111 WeakPolarHBondContact O-CG 3.43Å; P107-Q111 PolarHBondContact O-N 3.33Å; E108-Q111 PolarHBondContact O-N 3.17Å; Y109-Q111 PolarHBondContact O-N 3.34Å |
| 112 | K | 93.4 | Very high | 95.8 | Very high | 154 Ų | 154 | 46.7 Ų | 46.7 | 67% | 0.67 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -91.2 | -42.6 | -174.6 | -66.4 | 168.6 | -172.2 | 164.6 | 0 | 112.1 | E108 Y109 L110 | E108-K112 WeakPolarHBondContact O-CG 3.18Å; E108-K112 PolarHBondContact O-N 3.48Å; E108-K112 IonicContact OE2-NZ 3.66Å; Y109-K112 PolarHBondContact O-N 2.91Å; L110-K112 VanDerWaalsContact C-N 3.33Å |
| 113 | I | 96 | Very high | 95.9 | Very high | 14 Ų | 14 | 46.7 Ų | 46.7 | 7% | 0.072 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -72.5 | 146.4 | -178.4 | -167.7 | 162 | 0 | 0 | 0 | 111.8 | A66 S68 Y109 D117 L118 I121 L158 | A66-I113 HydrophobicContact CB-CG2 4.42Å; S68-I113 WeakPolarHBondContact CB-O 3.45Å; Y109-I113 HydrophobicContact CD1-CG2 4.23Å; Y109-I113 HydrophobicContact CE1-CB 4.36Å; Y109-I113 HydrophobicContact CE1-CD1 4.02Å; Y109-I113 HydrophobicContact CE1-CG2 3.97Å; Y109-I113 WeakPolarHBondContact O-CG2 3.47Å; Y109-I113 PolarHBondContact O-N 3.46Å; Y109-I113 WeakPolarHBondContact OH-CD1 3.32Å; I113-D117 HydrophobicContact CD1-CB 4.03Å; I113-D117 HydrophobicContact CG1-CB 3.8Å; I113-L118 HydrophobicContact CD1-CB 4.22Å; I113-L118 HydrophobicContact CD1-CD1 4.35Å; I113-L118 HydrophobicContact CG1-CB 4.28Å; I113-L118 HydrophobicContact CG2-CB 4.14Å; I113-L118 HydrophobicContact CG2-CD1 4.17Å; I113-L118 HydrophobicContact CG2-CD2 4.49Å; I113-I121 HydrophobicContact CD1-CG2 4.31Å; I113-L158 HydrophobicContact CD1-CD2 4.3Å |
| 114 | S | 96.6 | Very high | 96 | Very high | 6 Ų | 6 | 40.4 Ų | 40.4 | 4% | 0.042 | 19% | 0.191 | C | C | . | . | trans | -75.6 | 150.8 | 172.1 | 79.7 | 0 | 0 | 0 | 0 | 111.1 | I70 S116 D117 L118 | I70-S114 VanDerWaalsContact O-CB 3.24Å; I70-S114 WeakPolarHBondContact O-CB 3Å; S114-S116 PolarHBondContact O-N 3.45Å; S114-S116 PolarHBondContact OG-OG 3.25Å; S114-S116 VanDerWaalsContact OG-OG 3.05Å; S114-D117 PolarHBondContact O-N 3.1Å; S114-D117 WeakPolarHBondContact OG-CB 3.36Å; S114-D117 PolarHBondContact OG-N 2.84Å; S114-D117 VanDerWaalsContact OG-N 3.08Å; S114-D117 PolarHBondContact OG-OD2 3.4Å; S114-L118 VanDerWaalsContact O-CB 3.31Å; S114-L118 WeakPolarHBondContact O-CB 3.27Å; S114-L118 PolarHBondContact O-N 2.96Å | ||
| 115 | S | 97.4 | Very high | 96.2 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.007 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.8 | -25.7 | 177.4 | 45 | 0 | 0 | 0 | 0 | 113.5 | F62 K72 L73 F119 | F62-S115 WeakPolarHBondContact O-CB 3.47Å; K72-S115 WeakPolarHBondContact CA-OG 3.27Å; L73-S115 PolarHBondContact N-OG 3.18Å; S115-F119 WeakPolarHBondContact O-CB 3.44Å; S115-F119 PolarHBondContact O-N 2.87Å; S115-F119 VanDerWaalsContact O-N 3.11Å |
| 116 | S | 97.1 | Very high | 96.3 | Very high | 4 Ų | 4 | 28.8 Ų | 28.8 | 3% | 0.028 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -75 | -42.1 | 174.4 | 56.9 | 0 | 0 | 0 | 0 | 113 | R71 S114 F119 L120 | R71-S116 WeakPolarHBondContact CD-OG 3.49Å; R71-S116 WeakPolarHBondContact CG-OG 3.36Å; R71-S116 PolarHBondContact NE-OG 2.91Å; R71-S116 WeakPolarHBondContact O-CB 3.38Å; R71-S116 PolarHBondContact O-N 3.02Å; R71-S116 PolarHBondContact O-OG 3.33Å; S114-S116 PolarHBondContact O-N 3.45Å; S114-S116 PolarHBondContact OG-OG 3.25Å; S114-S116 VanDerWaalsContact OG-OG 3.05Å; S116-F119 PolarHBondContact O-N 3.48Å; S116-L120 WeakPolarHBondContact O-CB 3.46Å; S116-L120 PolarHBondContact O-N 3.33Å |
| 117 | D | 97.2 | Very high | 96.3 | Very high | 28 Ų | 28 | 26.6 Ų | 26.6 | 15% | 0.15 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -67 | -40.7 | 175.1 | -61.9 | -33.1 | 0 | 0 | 0 | 110.7 | R71 I113 S114 F119 L120 I121 L158 | R71-D117 IonicContact CZ-OD1 2.95Å; R71-D117 IonicContact NE-OD1 2.97Å; R71-D117 PolarHBondContact NE-OD1 3.1Å; R71-D117 IonicContact NE-OD2 3.87Å; R71-D117 IonicContact NH1-OD1 3.92Å; R71-D117 IonicContact NH2-OD1 2.65Å; R71-D117 PolarHBondContact NH2-OD1 2.99Å; I113-D117 HydrophobicContact CD1-CB 4.03Å; I113-D117 HydrophobicContact CG1-CB 3.8Å; S114-D117 PolarHBondContact O-N 3.1Å; S114-D117 WeakPolarHBondContact OG-CB 3.36Å; S114-D117 PolarHBondContact OG-N 2.84Å; S114-D117 VanDerWaalsContact OG-N 3.08Å; S114-D117 PolarHBondContact OG-OD2 3.4Å; D117-F119 VanDerWaalsContact C-N 3.34Å; D117-F119 PolarHBondContact O-N 2.84Å; D117-L120 PolarHBondContact O-N 3.48Å; D117-I121 WeakPolarHBondContact O-CB 3.32Å; D117-I121 VanDerWaalsContact O-CG2 3.3Å; D117-I121 WeakPolarHBondContact O-CG2 3.48Å; D117-I121 PolarHBondContact O-N 3.04Å; D117-L158 HydrophobicContact CB-CD1 4.11Å; D117-L158 HydrophobicContact CB-CD2 4.3Å |
| 118 | L | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60 | -44.9 | 176.1 | -175.7 | 62.4 | 0 | 0 | 0 | 111.4 | F62 A66 I99 L102 Y109 L110 I113 S114 S122 F162 | F62-L118 HydrophobicContact CD1-CB 4.42Å; F62-L118 HydrophobicContact CD1-CD2 4.14Å; F62-L118 HydrophobicContact CD1-CG 3.98Å; F62-L118 HydrophobicContact CE1-CG 4.19Å; A66-L118 HydrophobicContact CB-CB 4.49Å; A66-L118 HydrophobicContact CB-CD2 3.7Å; I99-L118 HydrophobicContact CD1-CD1 3.53Å; I99-L118 HydrophobicContact CD1-CD2 3.91Å; I99-L118 HydrophobicContact CD1-CG 3.66Å; L102-L118 HydrophobicContact CD1-CD1 4.4Å; Y109-L118 HydrophobicContact CE1-CD1 4.29Å; L110-L118 HydrophobicContact CD2-CD1 4.11Å; L110-L118 HydrophobicContact CD2-CD2 3.67Å; I113-L118 HydrophobicContact CD1-CB 4.22Å; I113-L118 HydrophobicContact CD1-CD1 4.35Å; I113-L118 HydrophobicContact CG1-CB 4.28Å; I113-L118 HydrophobicContact CG2-CB 4.14Å; I113-L118 HydrophobicContact CG2-CD1 4.17Å; I113-L118 HydrophobicContact CG2-CD2 4.49Å; S114-L118 VanDerWaalsContact O-CB 3.31Å; S114-L118 WeakPolarHBondContact O-CB 3.27Å; S114-L118 PolarHBondContact O-N 2.96Å; L118-S122 WeakPolarHBondContact O-CB 3.29Å; L118-S122 PolarHBondContact O-N 3.47Å; L118-S122 PolarHBondContact O-OG 3.31Å; L118-F162 HydrophobicContact CD1-CD2 4.34Å; L118-F162 HydrophobicContact CD1-CE2 4Å |
| 119 | F | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.7 | -51.8 | 174.6 | 173.2 | -92.4 | 0 | 0 | 0 | 111.6 | L50 F62 L73 A78 V81 M92 S115 S116 D117 I121 S122 M123 | L50-F119 HydrophobicContact CD1-CE2 4.41Å; L50-F119 HydrophobicContact CD1-CZ 4.2Å; F62-F119 HydrophobicContact CD1-CB 3.96Å; F62-F119 HydrophobicContact CD2-CB 4.47Å; F62-F119 AromaticContact CD2-CD2 3.72Å; F62-F119 HydrophobicContact CD2-CD2 3.72Å; F62-F119 HydrophobicContact CE1-CB 4.22Å; F62-F119 AromaticContact CE2-CD2 3.68Å; F62-F119 HydrophobicContact CE2-CD2 3.68Å; F62-F119 HydrophobicContact CE2-CE2 4.36Å; F62-F119 HydrophobicContact CG-CB 4.11Å; F62-F119 HydrophobicContact CG-CD2 4.2Å; F62-F119 HydrophobicContact CZ-CD2 4.1Å; L73-F119 HydrophobicContact CD1-CB 3.93Å; L73-F119 HydrophobicContact CD1-CD1 3.98Å; L73-F119 HydrophobicContact CD1-CG 3.89Å; L73-F119 HydrophobicContact CD2-CB 3.72Å; L73-F119 HydrophobicContact CD2-CD2 3.88Å; L73-F119 HydrophobicContact CD2-CG 3.86Å; L73-F119 HydrophobicContact CG-CB 4.42Å; A78-F119 HydrophobicContact CB-CE1 4.15Å; A78-F119 HydrophobicContact CB-CE2 4.32Å; A78-F119 HydrophobicContact CB-CZ 3.94Å; V81-F119 HydrophobicContact CB-CE1 4.08Å; V81-F119 HydrophobicContact CG1-CE1 3.99Å; M92-F119 HydrophobicContact CE-CE2 4.01Å; S115-F119 WeakPolarHBondContact O-CB 3.44Å; S115-F119 PolarHBondContact O-N 2.87Å; S115-F119 VanDerWaalsContact O-N 3.11Å; S116-F119 PolarHBondContact O-N 3.48Å; D117-F119 VanDerWaalsContact C-N 3.34Å; D117-F119 PolarHBondContact O-N 2.84Å; F119-I121 PolarHBondContact O-N 2.86Å; F119-S122 PolarHBondContact O-OG 2.94Å; F119-S122 VanDerWaalsContact O-OG 3.12Å; F119-M123 HydrophobicContact CD2-CE 4.25Å; F119-M123 HydrophobicContact CD2-CG 4.4Å; F119-M123 HydrophobicContact CE1-CG 4.41Å; F119-M123 HydrophobicContact CE2-CE 4.11Å; F119-M123 HydrophobicContact CE2-CG 4.17Å; F119-M123 HydrophobicContact CZ-CG 4.17Å; F119-M123 WeakPolarHBondContact O-CB 3.37Å; F119-M123 WeakPolarHBondContact O-CG 2.92Å; F119-M123 PolarHBondContact O-N 3.49Å; F119-M123 VanDerWaalsContact O-N 3.14Å |
| 120 | L | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -57.8 | -50.4 | -178.7 | -178.6 | 67.6 | 0 | 0 | 0 | 111.6 | V81 S116 D117 M123 M124 W144 L150 I155 | V81-L120 HydrophobicContact CG1-CD1 3.6Å; V81-L120 HydrophobicContact CG2-CD1 4.26Å; S116-L120 WeakPolarHBondContact O-CB 3.46Å; S116-L120 PolarHBondContact O-N 3.33Å; D117-L120 PolarHBondContact O-N 3.48Å; L120-M123 PolarHBondContact O-N 3.23Å; L120-M124 WeakPolarHBondContact O-CB 3.39Å; L120-M124 PolarHBondContact O-N 3.38Å; L120-W144 HydrophobicContact CD1-CE3 3.78Å; L120-W144 HydrophobicContact CD1-CZ3 4.18Å; L120-L150 HydrophobicContact CD2-CD1 3.7Å; L120-I155 HydrophobicContact CD2-CD1 3.6Å; L120-I155 HydrophobicContact CG-CD1 4.47Å |
| 121 | I | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -74.9 | -35.2 | -172.1 | -155.7 | 70.4 | 0 | 0 | 0 | 113.1 | I113 D117 F119 M124 V125 L158 E159 F162 | I113-I121 HydrophobicContact CD1-CG2 4.31Å; D117-I121 WeakPolarHBondContact O-CB 3.32Å; D117-I121 VanDerWaalsContact O-CG2 3.3Å; D117-I121 WeakPolarHBondContact O-CG2 3.48Å; D117-I121 PolarHBondContact O-N 3.04Å; F119-I121 PolarHBondContact O-N 2.86Å; I121-M124 HydrophobicContact CD1-CE 3.31Å; I121-M124 HydrophobicContact CD1-SD 4.13Å; I121-M124 HydrophobicContact CG1-CE 4.43Å; I121-M124 PolarHBondContact O-N 3.41Å; I121-V125 WeakPolarHBondContact O-CB 3.49Å; I121-V125 WeakPolarHBondContact O-CG2 3.26Å; I121-V125 PolarHBondContact O-N 3.46Å; I121-L158 HydrophobicContact CD1-CB 3.75Å; I121-L158 HydrophobicContact CG1-CB 4.07Å; I121-E159 HydrophobicContact CD1-CB 3.97Å; I121-F162 HydrophobicContact CG1-CB 4Å; I121-F162 HydrophobicContact CG1-CG 4.38Å; I121-F162 HydrophobicContact CG2-CB 4.03Å; I121-F162 HydrophobicContact CG2-CD2 3.5Å; I121-F162 VanDerWaalsContact CG2-CD2 3.5Å; I121-F162 HydrophobicContact CG2-CE2 4.11Å; I121-F162 HydrophobicContact CG2-CG 3.88Å |
| 122 | S | 98 | Very high | 95 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -66.6 | -38.9 | 175.7 | 59.5 | 0 | 0 | 0 | 0 | 111.6 | F62 L118 F119 A126 | F62-S122 VanDerWaalsContact CE1-OG 3.22Å; F62-S122 WeakPolarHBondContact CE1-OG 3.5Å; F62-S122 WeakPolarHBondContact CZ-OG 3.38Å; L118-S122 WeakPolarHBondContact O-CB 3.29Å; L118-S122 PolarHBondContact O-N 3.47Å; L118-S122 PolarHBondContact O-OG 3.31Å; F119-S122 PolarHBondContact O-OG 2.94Å; F119-S122 VanDerWaalsContact O-OG 3.12Å; S122-A126 WeakPolarHBondContact O-CB 3.32Å; S122-A126 PolarHBondContact O-N 3.11Å |
| 123 | M | 97.4 | Very high | 94 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.5 | -42.1 | 174.2 | -66.7 | -61.5 | 138.7 | 0 | 0 | 112.1 | F62 I87 M92 A95 F119 L120 A126 S127 W144 | F62-M123 HydrophobicContact CE2-CE 3.79Å; F62-M123 HydrophobicContact CZ-CE 3.59Å; I87-M123 HydrophobicContact CD1-CB 3.58Å; I87-M123 HydrophobicContact CD1-CG 3.68Å; I87-M123 HydrophobicContact CD1-SD 4.27Å; I87-M123 HydrophobicContact CG1-CB 4.5Å; I87-M123 HydrophobicContact CG2-SD 3.84Å; M92-M123 HydrophobicContact CB-SD 4.37Å; M92-M123 HydrophobicContact CE-CE 3.47Å; M92-M123 VanDerWaalsContact CE-CE 3.47Å; M92-M123 HydrophobicContact CE-SD 3.89Å; M92-M123 HydrophobicContact SD-CE 3.43Å; M92-M123 WeakPolarHBondContact SD-CE 3.33Å; M92-M123 HydrophobicContact SD-SD 4.34Å; A95-M123 HydrophobicContact CB-CE 3.22Å; A95-M123 HydrophobicContact CB-SD 3.81Å; F119-M123 HydrophobicContact CD2-CE 4.25Å; F119-M123 HydrophobicContact CD2-CG 4.4Å; F119-M123 HydrophobicContact CE1-CG 4.41Å; F119-M123 HydrophobicContact CE2-CE 4.11Å; F119-M123 HydrophobicContact CE2-CG 4.17Å; F119-M123 HydrophobicContact CZ-CG 4.17Å; F119-M123 WeakPolarHBondContact O-CB 3.37Å; F119-M123 WeakPolarHBondContact O-CG 2.92Å; F119-M123 PolarHBondContact O-N 3.49Å; F119-M123 VanDerWaalsContact O-N 3.14Å; L120-M123 PolarHBondContact O-N 3.23Å; M123-A126 PolarHBondContact O-N 3.17Å; M123-S127 WeakPolarHBondContact O-CB 3.3Å; M123-S127 PolarHBondContact O-N 3.2Å; M123-S127 PolarHBondContact O-OG 3.02Å; M123-W144 HydrophobicContact CB-CH2 4.02Å; M123-W144 HydrophobicContact CB-CZ3 4.11Å |
| 124 | M | 96.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.4 | -52.9 | 177.8 | -176.5 | 177.9 | 93.9 | 0 | 0 | 111.5 | L120 I121 A126 S127 K128 W144 I155 E159 | L120-M124 WeakPolarHBondContact O-CB 3.39Å; L120-M124 PolarHBondContact O-N 3.38Å; I121-M124 HydrophobicContact CD1-CE 3.31Å; I121-M124 HydrophobicContact CD1-SD 4.13Å; I121-M124 HydrophobicContact CG1-CE 4.43Å; I121-M124 PolarHBondContact O-N 3.41Å; M124-A126 VanDerWaalsContact C-N 3.3Å; M124-A126 PolarHBondContact O-N 3.11Å; M124-S127 PolarHBondContact O-N 3.36Å; M124-K128 WeakPolarHBondContact O-CG 3.29Å; M124-K128 PolarHBondContact O-N 3.03Å; M124-W144 HydrophobicContact CB-CD2 3.71Å; M124-W144 HydrophobicContact CB-CE3 3.83Å; M124-W144 HydrophobicContact CB-CG 4.21Å; M124-W144 HydrophobicContact CB-CH2 4.28Å; M124-W144 HydrophobicContact CB-CZ2 4.2Å; M124-W144 HydrophobicContact CB-CZ3 4.11Å; M124-W144 HydrophobicContact CG-CB 4.32Å; M124-W144 HydrophobicContact CG-CD2 3.61Å; M124-W144 HydrophobicContact CG-CE3 4.24Å; M124-W144 HydrophobicContact CG-CG 3.61Å; M124-W144 HydrophobicContact CG-CZ2 4.44Å; M124-W144 HydrophobicContact SD-CB 3.7Å; M124-W144 HydrophobicContact SD-CD2 4.16Å; M124-W144 HydrophobicContact SD-CG 3.66Å; M124-I155 HydrophobicContact CE-CG2 3.87Å; M124-I155 HydrophobicContact SD-CG2 3.6Å; M124-E159 HydrophobicContact CE-CB 3.63Å; M124-E159 VanDerWaalsContact CE-CD 3.41Å; M124-E159 HydrophobicContact CE-CG 3.61Å |
| 125 | V | 97.1 | Very high | 92 | Very high | 5 Ų | 5 | 39.1 Ų | 39.1 | 3% | 0.03 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.2 | -37 | 179.3 | 172 | 0 | 0 | 0 | 0 | 111.3 | Y98 I121 Y129 E159 F162 L163 L170 | Y98-V125 HydrophobicContact CE2-CG1 4.08Å; I121-V125 WeakPolarHBondContact O-CB 3.49Å; I121-V125 WeakPolarHBondContact O-CG2 3.26Å; I121-V125 PolarHBondContact O-N 3.46Å; V125-Y129 WeakPolarHBondContact O-CB 3.02Å; V125-Y129 PolarHBondContact O-N 3.39Å; V125-Y129 VanDerWaalsContact O-N 3.12Å; V125-E159 HydrophobicContact CG2-CG 4.38Å; V125-F162 HydrophobicContact CB-CD1 4.29Å; V125-F162 HydrophobicContact CB-CE1 4.16Å; V125-F162 HydrophobicContact CG1-CD1 4.35Å; V125-F162 HydrophobicContact CG1-CE1 4.13Å; V125-F162 HydrophobicContact CG2-CD1 3.91Å; V125-F162 HydrophobicContact CG2-CE1 4.29Å; V125-L163 HydrophobicContact CG1-CD2 3.82Å; V125-L163 HydrophobicContact CG2-CD2 4.29Å; V125-L163 HydrophobicContact CG2-CG 4.47Å; V125-L170 HydrophobicContact CG1-CD1 4.05Å; V125-L170 HydrophobicContact CG1-CD2 3.55Å; V125-L170 HydrophobicContact CG1-CG 4.46Å |
| 126 | A | 97.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.2 | -40.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | A91 L94 A95 Y98 S122 M123 M124 Y129 L130 | A91-A126 HydrophobicContact CB-CB 4.34Å; A91-A126 VanDerWaalsContact O-CB 3.3Å; A91-A126 WeakPolarHBondContact O-CB 3.37Å; L94-A126 HydrophobicContact CB-CB 3.83Å; A95-A126 HydrophobicContact CB-CB 4.06Å; Y98-A126 HydrophobicContact CD2-CB 4.42Å; Y98-A126 HydrophobicContact CE2-CB 3.88Å; S122-A126 WeakPolarHBondContact O-CB 3.32Å; S122-A126 PolarHBondContact O-N 3.11Å; M123-A126 PolarHBondContact O-N 3.17Å; M124-A126 VanDerWaalsContact C-N 3.3Å; M124-A126 PolarHBondContact O-N 3.11Å; A126-Y129 PolarHBondContact O-N 3.37Å; A126-L130 WeakPolarHBondContact O-CG 3.18Å; A126-L130 PolarHBondContact O-N 3.48Å |
| 127 | S | 94.4 | Very high | 89.8 | Confident | 5 Ų | 5 | 50.4 Ų | 50.4 | 4% | 0.035 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.5 | -46 | 179.7 | -53.8 | 0 | 0 | 0 | 0 | 111 | M123 M124 Y129 L130 Y131 | M123-S127 WeakPolarHBondContact O-CB 3.3Å; M123-S127 PolarHBondContact O-N 3.2Å; M123-S127 PolarHBondContact O-OG 3.02Å; M124-S127 PolarHBondContact O-N 3.36Å; S127-Y129 PolarHBondContact O-N 2.93Å; S127-L130 PolarHBondContact O-N 2.89Å; S127-Y131 WeakPolarHBondContact O-CD2 3.48Å; S127-Y131 PolarHBondContact O-N 2.96Å |
| 128 | K | 93.7 | Very high | 89.1 | Confident | 85 Ų | 85 | 52.1 Ų | 52.1 | 37% | 0.37 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.6 | -27.1 | 173.9 | -72.5 | -172.5 | 175.3 | -169.1 | 0 | 114.2 | M124 N141 E159 | M124-K128 WeakPolarHBondContact O-CG 3.29Å; M124-K128 PolarHBondContact O-N 3.03Å; K128-N141 WeakPolarHBondContact CE-OD1 3.37Å; K128-N141 PolarHBondContact NZ-OD1 3.4Å; K128-E159 IonicContact NZ-OE1 3.02Å; K128-E159 PolarHBondContact NZ-OE1 2.83Å; K128-E159 IonicContact NZ-OE2 3.11Å; K128-E159 PolarHBondContact NZ-OE2 2.85Å |
| 129 | Y | 94.2 | Very high | 88.4 | Confident | 94 Ų | 94 | 53.3 Ų | 53.3 | 37% | 0.369 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -76.9 | -27.8 | 175.3 | 177.6 | -90.3 | 0 | 0 | 0 | 112.3 | L94 V125 A126 S127 L170 | L94-Y129 HydrophobicContact CD2-CD1 3.4Å; L94-Y129 HydrophobicContact CD2-CE1 3.88Å; L94-Y129 HydrophobicContact CD2-CG 4.39Å; V125-Y129 WeakPolarHBondContact O-CB 3.02Å; V125-Y129 PolarHBondContact O-N 3.39Å; V125-Y129 VanDerWaalsContact O-N 3.12Å; A126-Y129 PolarHBondContact O-N 3.37Å; S127-Y129 PolarHBondContact O-N 2.93Å; Y129-L170 HydrophobicContact CD2-CB 3.75Å; Y129-L170 HydrophobicContact CD2-CD1 4.32Å; Y129-L170 HydrophobicContact CE2-CB 4.01Å; Y129-L170 HydrophobicContact CG-CB 4.5Å |
| 130 | L | 90.9 | Very high | 88 | Confident | 63 Ų | 63 | 58.6 Ų | 58.6 | 33% | 0.33 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -91.8 | -32.2 | -174.7 | -73.3 | 173.4 | 0 | 0 | 0 | 113.9 | C90 A91 L94 A126 S127 | C90-L130 HydrophobicContact CB-CD1 3.99Å; A91-L130 HydrophobicContact CB-CD1 3.95Å; L94-L130 HydrophobicContact CD1-CD1 4.41Å; L94-L130 HydrophobicContact CD1-CD2 4.26Å; L94-L130 HydrophobicContact CD2-CD1 4.16Å; L94-L130 HydrophobicContact CD2-CD2 3.7Å; L94-L130 HydrophobicContact CD2-CG 3.79Å; A126-L130 WeakPolarHBondContact O-CG 3.18Å; A126-L130 PolarHBondContact O-N 3.48Å; S127-L130 PolarHBondContact O-N 2.89Å |
| 131 | Y | 86.8 | Confident | 87.7 | Confident | 49 Ų | 49 | 59.9 Ų | 59.9 | 19% | 0.192 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -102.5 | 131.5 | -175.8 | -53 | -53.6 | 0 | 0 | 0 | 110.2 | S88 S127 E137 | S88-Y131 WeakPolarHBondContact CB-OH 3.23Å; S88-Y131 PolarHBondContact OG-OH 3.4Å; S88-Y131 VanDerWaalsContact OG-OH 3.1Å; S127-Y131 WeakPolarHBondContact O-CD2 3.48Å; S127-Y131 PolarHBondContact O-N 2.96Å; Y131-E137 HydrophobicContact CD1-CB 3.85Å; Y131-E137 HydrophobicContact CD2-CB 3.93Å; Y131-E137 WeakPolarHBondContact CD2-O 3.3Å; Y131-E137 HydrophobicContact CE1-CB 3.83Å; Y131-E137 HydrophobicContact CE1-CG 4.2Å; Y131-E137 HydrophobicContact CE2-CB 3.89Å; Y131-E137 HydrophobicContact CG-CB 3.91Å |
| 132 | D | 78.6 | Confident | 87.5 | Confident | 124 Ų | 124 | 64.1 Ų | 64.1 | 66% | 0.663 | 32% | 0.322 | S | S | * | . | P | Polyproline II helix | trans | -78.7 | 158.6 | 176.9 | -70.7 | -40.6 | 0 | 0 | 0 | 111 | G134 E135 | D132-G134 PolarHBondContact O-N 3.29Å; D132-E135 HydrophobicContact CB-CG 4.28Å; D132-E135 PolarHBondContact O-N 3.44Å |
| 133 | E | 73.9 | Confident | 87.3 | Confident | 185 Ų | 185 | 68.5 Ų | 68.5 | 86% | 0.864 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 126.1 | 176.1 | -65.9 | -177.3 | 178.4 | 0 | 0 | 110.8 | ||
| 134 | G | 70.8 | Confident | 87.2 | Confident | 67 Ų | 67 | 68.6 Ų | 68.6 | 69% | 0.691 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.2 | 1.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116 | D132 E138 | D132-G134 PolarHBondContact O-N 3.29Å; G134-E138 PolarHBondContact N-OE2 3.03Å |
| 135 | E | 78.8 | Confident | 87.1 | Confident | 111 Ų | 111 | 68.6 Ų | 68.6 | 52% | 0.519 | 34% | 0.343 | S | S | . | . | trans | -75.7 | 155 | 168.6 | -68.1 | -60.8 | 141.1 | 0 | 0 | 111.5 | D132 E137 E138 | D132-E135 HydrophobicContact CB-CG 4.28Å; D132-E135 PolarHBondContact O-N 3.44Å; E135-E137 PolarHBondContact O-N 2.87Å; E135-E138 WeakPolarHBondContact O-CB 3.15Å; E135-E138 PolarHBondContact O-N 3.46Å; E135-E138 VanDerWaalsContact O-N 3.15Å | ||
| 136 | E | 72.2 | Confident | 87 | Confident | 179 Ų | 179 | 71.7 Ų | 71.7 | 84% | 0.836 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -20.8 | -175.7 | 63.8 | 180 | 178.3 | 0 | 0 | 113.4 | ||
| 137 | E | 76.1 | Confident | 86.9 | Confident | 64 Ų | 64 | 72 Ų | 72 | 30% | 0.299 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | 2.1 | 176.8 | -53.1 | 91.6 | 154.7 | 0 | 0 | 113.8 | Y131 E135 V139 | Y131-E137 HydrophobicContact CD1-CB 3.85Å; Y131-E137 HydrophobicContact CD2-CB 3.93Å; Y131-E137 WeakPolarHBondContact CD2-O 3.3Å; Y131-E137 HydrophobicContact CE1-CB 3.83Å; Y131-E137 HydrophobicContact CE1-CG 4.2Å; Y131-E137 HydrophobicContact CE2-CB 3.89Å; Y131-E137 HydrophobicContact CG-CB 3.91Å; E135-E137 PolarHBondContact O-N 2.87Å; E137-V139 PolarHBondContact O-N 2.94Å |
| 138 | E | 82.6 | Confident | 86.9 | Confident | 63 Ų | 63 | 71.8 Ų | 71.8 | 29% | 0.294 | 37% | 0.37 | S | S | . | . | trans | -66 | 126.1 | 172.7 | -171.5 | -179.7 | -172.2 | 0 | 0 | 110.3 | G134 E135 | G134-E138 PolarHBondContact N-OE2 3.03Å; E135-E138 WeakPolarHBondContact O-CB 3.15Å; E135-E138 PolarHBondContact O-N 3.46Å; E135-E138 VanDerWaalsContact O-N 3.15Å | ||
| 139 | V | 84.3 | Confident | 86.9 | Confident | 25 Ų | 25 | 75.3 Ų | 75.3 | 15% | 0.152 | 39% | 0.385 | C | S | . | . | trans | -125.6 | 123.6 | -179.4 | -179.4 | 0 | 0 | 0 | 0 | 109.8 | E137 E143 W144 | E137-V139 PolarHBondContact O-N 2.94Å; V139-E143 WeakPolarHBondContact CA-OE2 3.44Å; V139-E143 HydrophobicContact CG1-CB 3.58Å; V139-E143 WeakPolarHBondContact CG1-OE2 3.48Å; V139-W144 VanDerWaalsContact CG1-CD1 3.43Å; V139-W144 HydrophobicContact CG1-CD2 4.42Å; V139-W144 HydrophobicContact CG1-CG 4.08Å; V139-W144 PolarHBondContact O-NE1 3.48Å | ||
| 140 | F | 87.8 | Confident | 87 | Confident | 111 Ų | 111 | 72.5 Ų | 72.5 | 49% | 0.487 | 38% | 0.376 | S | S | . | . | trans | -79.9 | 163.3 | -176.4 | -63.6 | -74.9 | 0 | 0 | 0 | 113 | D142 E143 W144 | F140-D142 VanDerWaalsContact C-N 3.26Å; F140-D142 WeakPolarHBondContact CB-OD1 3.01Å; F140-D142 PolarHBondContact O-N 3.45Å; F140-E143 PolarHBondContact N-OE2 3.23Å; F140-E143 WeakPolarHBondContact O-CB 3.19Å; F140-E143 PolarHBondContact O-N 3.47Å; F140-E143 VanDerWaalsContact O-N 3.1Å; F140-W144 VanDerWaalsContact O-CD1 3.3Å; F140-W144 PolarHBondContact O-N 3.39Å | ||
| 141 | N | 92.6 | Very high | 87.3 | Confident | 27 Ų | 27 | 73.5 Ų | 73.5 | 14% | 0.144 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.3 | -29 | -175.7 | -80.5 | 5.2 | 0 | 0 | 0 | 114 | K128 G145 V152 I155 N156 E159 | K128-N141 WeakPolarHBondContact CE-OD1 3.37Å; K128-N141 PolarHBondContact NZ-OD1 3.4Å; N141-G145 PolarHBondContact O-N 3.18Å; N141-V152 HydrophobicContact CB-CG1 4.31Å; N141-I155 HydrophobicContact CB-CG2 4.08Å; N141-N156 PolarHBondContact ND2-OD1 3.43Å; N141-E159 PolarHBondContact ND2-OE2 2.99Å |
| 142 | D | 93.3 | Very high | 87.7 | Confident | 90 Ų | 90 | 74.2 Ų | 74.2 | 48% | 0.481 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -71.3 | -37 | 174.1 | 59.7 | -30.5 | 0 | 0 | 0 | 112.3 | F140 G145 A146 V152 | F140-D142 VanDerWaalsContact C-N 3.26Å; F140-D142 WeakPolarHBondContact CB-OD1 3.01Å; F140-D142 PolarHBondContact O-N 3.45Å; D142-G145 PolarHBondContact O-N 3.22Å; D142-A146 WeakPolarHBondContact O-CB 3.49Å; D142-A146 PolarHBondContact O-N 3.34Å; D142-V152 HydrophobicContact CB-CG2 3.79Å |
| 143 | E | 93.3 | Very high | 88.6 | Confident | 92 Ų | 92 | 74.8 Ų | 74.8 | 43% | 0.43 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -67.9 | -43.5 | 172.7 | -63.8 | 175 | 170.3 | 0 | 0 | 111.6 | V139 F140 G145 A146 A147 | V139-E143 WeakPolarHBondContact CA-OE2 3.44Å; V139-E143 HydrophobicContact CG1-CB 3.58Å; V139-E143 WeakPolarHBondContact CG1-OE2 3.48Å; F140-E143 PolarHBondContact N-OE2 3.23Å; F140-E143 WeakPolarHBondContact O-CB 3.19Å; F140-E143 PolarHBondContact O-N 3.47Å; F140-E143 VanDerWaalsContact O-N 3.1Å; E143-G145 VanDerWaalsContact C-N 3.3Å; E143-G145 PolarHBondContact O-N 3.45Å; E143-A146 WeakPolarHBondContact O-CB 3.49Å; E143-A146 PolarHBondContact O-N 2.91Å; E143-A147 WeakPolarHBondContact O-CB 3.37Å; E143-A147 PolarHBondContact O-N 2.68Å |
| 144 | W | 95.3 | Very high | 89.7 | Confident | 1 Ų | 1 | 68.3 Ų | 68.3 | 0% | 0.004 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.9 | -38.8 | 170.8 | -81.2 | 101.5 | 0 | 0 | 0 | 112.3 | V81 A85 I87 L120 M123 M124 V139 F140 G148 | V81-W144 HydrophobicContact CG1-CZ3 4.2Å; A85-W144 HydrophobicContact CB-CD2 4.17Å; A85-W144 HydrophobicContact CB-CE3 3.88Å; A85-W144 HydrophobicContact CB-CH2 3.58Å; A85-W144 HydrophobicContact CB-CZ2 3.86Å; A85-W144 HydrophobicContact CB-CZ3 3.6Å; I87-W144 HydrophobicContact CD1-CH2 3.94Å; I87-W144 HydrophobicContact CD1-CZ3 4.1Å; I87-W144 HydrophobicContact CG1-CH2 3.9Å; I87-W144 HydrophobicContact CG1-CZ3 4.48Å; L120-W144 HydrophobicContact CD1-CE3 3.78Å; L120-W144 HydrophobicContact CD1-CZ3 4.18Å; M123-W144 HydrophobicContact CB-CH2 4.02Å; M123-W144 HydrophobicContact CB-CZ3 4.11Å; M124-W144 HydrophobicContact CB-CD2 3.71Å; M124-W144 HydrophobicContact CB-CE3 3.83Å; M124-W144 HydrophobicContact CB-CG 4.21Å; M124-W144 HydrophobicContact CB-CH2 4.28Å; M124-W144 HydrophobicContact CB-CZ2 4.2Å; M124-W144 HydrophobicContact CB-CZ3 4.11Å; M124-W144 HydrophobicContact CG-CB 4.32Å; M124-W144 HydrophobicContact CG-CD2 3.61Å; M124-W144 HydrophobicContact CG-CE3 4.24Å; M124-W144 HydrophobicContact CG-CG 3.61Å; M124-W144 HydrophobicContact CG-CZ2 4.44Å; M124-W144 HydrophobicContact SD-CB 3.7Å; M124-W144 HydrophobicContact SD-CD2 4.16Å; M124-W144 HydrophobicContact SD-CG 3.66Å; V139-W144 VanDerWaalsContact CG1-CD1 3.43Å; V139-W144 HydrophobicContact CG1-CD2 4.42Å; V139-W144 HydrophobicContact CG1-CG 4.08Å; V139-W144 PolarHBondContact O-NE1 3.48Å; F140-W144 VanDerWaalsContact O-CD1 3.3Å; F140-W144 PolarHBondContact O-N 3.39Å; W144-G148 PolarHBondContact O-N 3Å |
| 145 | G | 95.6 | Very high | 91 | Very high | 1 Ų | 1 | 65.1 Ų | 65.1 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.9 | -46.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | N141 D142 E143 G148 K149 L150 | N141-G145 PolarHBondContact O-N 3.18Å; D142-G145 PolarHBondContact O-N 3.22Å; E143-G145 VanDerWaalsContact C-N 3.3Å; E143-G145 PolarHBondContact O-N 3.45Å; G145-G148 CarbonylContact O-C 3.5Å; G145-G148 PolarHBondContact O-N 2.89Å; G145-K149 CarbonylContact O-C 3.59Å; G145-K149 WeakPolarHBondContact O-CA 3.48Å; G145-K149 PolarHBondContact O-N 3.38Å; G145-L150 CarbonylContact C-O 3.16Å; G145-L150 VanDerWaalsContact C-O 3.24Å; G145-L150 VanDerWaalsContact CA-O 3.25Å; G145-L150 WeakPolarHBondContact CA-O 3.27Å; G145-L150 PolarHBondContact O-N 2.99Å; G145-L150 VanDerWaalsContact O-O 3.06Å |
| 146 | A | 95.6 | Very high | 91.9 | Very high | 70 Ų | 70 | 62.9 Ų | 62.9 | 58% | 0.579 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -62 | -48.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | D142 E143 G148 K149 | D142-A146 WeakPolarHBondContact O-CB 3.49Å; D142-A146 PolarHBondContact O-N 3.34Å; E143-A146 WeakPolarHBondContact O-CB 3.49Å; E143-A146 PolarHBondContact O-N 2.91Å; A146-G148 VanDerWaalsContact C-N 3.3Å; A146-G148 PolarHBondContact O-N 2.82Å; A146-K149 PolarHBondContact O-N 2.73Å |
| 147 | A | 94 | Very high | 93.1 | Very high | 6 Ų | 6 | 59.1 Ų | 59.1 | 5% | 0.05 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.2 | -41.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | H80 E84 A85 E143 | H80-A147 PolarHBondContact CE1-O 3.18Å; H80-A147 PolarHBondContact ND1-O 3.04Å; E84-A147 HydrophobicContact CB-CB 3.84Å; A85-A147 HydrophobicContact CB-CB 4.41Å; E143-A147 WeakPolarHBondContact O-CB 3.37Å; E143-A147 PolarHBondContact O-N 2.68Å |
| 148 | G | 94.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -81.7 | -9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y77 W144 G145 A146 L150 | Y77-G148 VanDerWaalsContact OH-CA 3.22Å; Y77-G148 WeakPolarHBondContact OH-CA 3.42Å; Y77-G148 PolarHBondContact OH-O 2.6Å; W144-G148 PolarHBondContact O-N 3Å; G145-G148 CarbonylContact O-C 3.5Å; G145-G148 PolarHBondContact O-N 2.89Å; A146-G148 VanDerWaalsContact C-N 3.3Å; A146-G148 PolarHBondContact O-N 2.82Å; G148-L150 VanDerWaalsContact C-N 3.31Å |
| 149 | K | 95 | Very high | 94.8 | Very high | 159 Ų | 159 | 55.7 Ų | 55.7 | 69% | 0.691 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 44.8 | -170.5 | -55.4 | -178 | -178.6 | -175.9 | 0 | 112.7 | G145 A146 | G145-K149 CarbonylContact O-C 3.59Å; G145-K149 WeakPolarHBondContact O-CA 3.48Å; G145-K149 PolarHBondContact O-N 3.38Å; A146-K149 PolarHBondContact O-N 2.73Å |
| 150 | L | 95.3 | Very high | 95.5 | Very high | 36 Ų | 36 | 58.8 Ų | 58.8 | 19% | 0.188 | 31% | 0.306 | C | S | . | . | trans | -125.2 | 150.3 | 177.2 | -68.7 | 179.5 | 0 | 0 | 0 | 109.6 | R71 L120 G145 G148 T154 I155 L158 | R71-L150 VanDerWaalsContact NH1-CD2 3.29Å; L120-L150 HydrophobicContact CD2-CD1 3.7Å; G145-L150 CarbonylContact C-O 3.16Å; G145-L150 VanDerWaalsContact C-O 3.24Å; G145-L150 VanDerWaalsContact CA-O 3.25Å; G145-L150 WeakPolarHBondContact CA-O 3.27Å; G145-L150 PolarHBondContact O-N 2.99Å; G145-L150 VanDerWaalsContact O-O 3.06Å; G148-L150 VanDerWaalsContact C-N 3.31Å; L150-T154 HydrophobicContact CD1-CG2 4.18Å; L150-T154 HydrophobicContact CD2-CG2 4.22Å; L150-I155 HydrophobicContact CB-CD1 3.94Å; L150-I155 HydrophobicContact CB-CG1 4.11Å; L150-I155 HydrophobicContact CD1-CD1 3.85Å; L150-L158 HydrophobicContact CD1-CD1 3.91Å | ||
| 151 | D | 96.6 | Very high | 95.9 | Very high | 84 Ų | 84 | 56.2 Ų | 56.2 | 45% | 0.449 | 30% | 0.302 | S | S | . | . | trans | -71.4 | 153.5 | 170.8 | 64.9 | -80.2 | 0 | 0 | 0 | 111 | Q153 T154 I155 | D151-Q153 PolarHBondContact O-N 3.06Å; D151-Q153 WeakPolarHBondContact OD2-CB 3.39Å; D151-Q153 PolarHBondContact OD2-N 3.13Å; D151-T154 VanDerWaalsContact CG-OG1 3.22Å; D151-T154 WeakPolarHBondContact O-CB 3.34Å; D151-T154 PolarHBondContact O-N 2.85Å; D151-T154 VanDerWaalsContact O-N 3.13Å; D151-T154 VanDerWaalsContact OD1-CB 3.29Å; D151-T154 WeakPolarHBondContact OD1-CB 3.38Å; D151-T154 PolarHBondContact OD1-OG1 2.76Å; D151-T154 PolarHBondContact OD2-N 2.74Å; D151-T154 PolarHBondContact OD2-OG1 3.18Å; D151-I155 PolarHBondContact O-N 3.1Å | ||
| 152 | V | 96.4 | Very high | 96.2 | Very high | 63 Ų | 63 | 55 Ų | 55 | 38% | 0.382 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.3 | -35 | -176.8 | -169.6 | 0 | 0 | 0 | 0 | 111.7 | N141 D142 I155 N156 | N141-V152 HydrophobicContact CB-CG1 4.31Å; D142-V152 HydrophobicContact CB-CG2 3.79Å; V152-I155 PolarHBondContact O-N 3.19Å; V152-N156 WeakPolarHBondContact O-CB 3.3Å; V152-N156 PolarHBondContact O-N 3.28Å; V152-N156 PolarHBondContact O-ND2 3.25Å; V152-N156 PolarHBondContact O-OD1 3Å |
| 153 | Q | 96.8 | Very high | 96.4 | Very high | 137 Ų | 137 | 51.2 Ų | 51.2 | 64% | 0.64 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -67 | -41.5 | 179.4 | -174.6 | 177.5 | 7.9 | 0 | 0 | 111.2 | D151 N156 N157 | D151-Q153 PolarHBondContact O-N 3.06Å; D151-Q153 WeakPolarHBondContact OD2-CB 3.39Å; D151-Q153 PolarHBondContact OD2-N 3.13Å; Q153-N156 PolarHBondContact O-N 3.13Å; Q153-N157 WeakPolarHBondContact O-CB 3.21Å; Q153-N157 PolarHBondContact O-N 3.41Å; Q153-N157 PolarHBondContact O-ND2 3.32Å |
| 154 | T | 96.8 | Very high | 96.6 | Very high | 48 Ų | 48 | 51.3 Ų | 51.3 | 29% | 0.294 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.7 | -43.4 | 172.7 | -64.8 | 0 | 0 | 0 | 0 | 111.4 | L150 D151 N157 L158 | L150-T154 HydrophobicContact CD1-CG2 4.18Å; L150-T154 HydrophobicContact CD2-CG2 4.22Å; D151-T154 VanDerWaalsContact CG-OG1 3.22Å; D151-T154 WeakPolarHBondContact O-CB 3.34Å; D151-T154 PolarHBondContact O-N 2.85Å; D151-T154 VanDerWaalsContact O-N 3.13Å; D151-T154 VanDerWaalsContact OD1-CB 3.29Å; D151-T154 WeakPolarHBondContact OD1-CB 3.38Å; D151-T154 PolarHBondContact OD1-OG1 2.76Å; D151-T154 PolarHBondContact OD2-N 2.74Å; D151-T154 PolarHBondContact OD2-OG1 3.18Å; T154-N157 PolarHBondContact O-N 3.07Å; T154-L158 HydrophobicContact CG2-CD1 4.04Å; T154-L158 HydrophobicContact CG2-CG 4.36Å; T154-L158 WeakPolarHBondContact O-CB 3.34Å; T154-L158 WeakPolarHBondContact O-CG 3.33Å; T154-L158 PolarHBondContact O-N 3.29Å |
| 155 | I | 97.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.6 | -49.8 | 175.5 | -66.6 | -64.7 | 0 | 0 | 0 | 111.3 | L120 M124 N141 L150 D151 V152 N157 L158 E159 | L120-I155 HydrophobicContact CD2-CD1 3.6Å; L120-I155 HydrophobicContact CG-CD1 4.47Å; M124-I155 HydrophobicContact CE-CG2 3.87Å; M124-I155 HydrophobicContact SD-CG2 3.6Å; N141-I155 HydrophobicContact CB-CG2 4.08Å; L150-I155 HydrophobicContact CB-CD1 3.94Å; L150-I155 HydrophobicContact CB-CG1 4.11Å; L150-I155 HydrophobicContact CD1-CD1 3.85Å; D151-I155 PolarHBondContact O-N 3.1Å; V152-I155 PolarHBondContact O-N 3.19Å; I155-N157 VanDerWaalsContact C-N 3.28Å; I155-N157 PolarHBondContact O-N 3.19Å; I155-L158 PolarHBondContact O-N 2.94Å; I155-L158 VanDerWaalsContact O-N 3.15Å; I155-E159 WeakPolarHBondContact O-CB 3.45Å; I155-E159 PolarHBondContact O-N 3.47Å |
| 156 | N | 97.7 | Very high | 96.8 | Very high | 64 Ų | 64 | 51.5 Ų | 51.5 | 34% | 0.342 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59 | -41 | 179.1 | -67.1 | -17.1 | 0 | 0 | 0 | 111.8 | N141 V152 Q153 E159 M160 | N141-N156 PolarHBondContact ND2-OD1 3.43Å; V152-N156 WeakPolarHBondContact O-CB 3.3Å; V152-N156 PolarHBondContact O-N 3.28Å; V152-N156 PolarHBondContact O-ND2 3.25Å; V152-N156 PolarHBondContact O-OD1 3Å; Q153-N156 PolarHBondContact O-N 3.13Å; N156-E159 PolarHBondContact O-N 2.89Å; N156-M160 WeakPolarHBondContact O-CG 3.46Å; N156-M160 PolarHBondContact O-N 3.31Å |
| 157 | N | 97.9 | Very high | 96.8 | Very high | 101 Ų | 101 | 54.3 Ų | 54.3 | 54% | 0.54 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66.7 | -42.7 | 176.9 | -71.2 | -26.5 | 0 | 0 | 0 | 111.9 | Q153 T154 I155 E159 S161 | Q153-N157 WeakPolarHBondContact O-CB 3.21Å; Q153-N157 PolarHBondContact O-N 3.41Å; Q153-N157 PolarHBondContact O-ND2 3.32Å; T154-N157 PolarHBondContact O-N 3.07Å; I155-N157 VanDerWaalsContact C-N 3.28Å; I155-N157 PolarHBondContact O-N 3.19Å; N157-E159 VanDerWaalsContact C-N 3.34Å; N157-S161 WeakPolarHBondContact O-CB 3.36Å; N157-S161 PolarHBondContact O-N 3.49Å |
| 158 | L | 97.6 | Very high | 97 | Very high | 28 Ų | 28 | 60.9 Ų | 60.9 | 15% | 0.147 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.5 | -41.7 | 176.1 | -74.8 | 173.9 | 0 | 0 | 0 | 111.1 | I113 D117 I121 L150 T154 I155 S161 F162 | I113-L158 HydrophobicContact CD1-CD2 4.3Å; D117-L158 HydrophobicContact CB-CD1 4.11Å; D117-L158 HydrophobicContact CB-CD2 4.3Å; I121-L158 HydrophobicContact CD1-CB 3.75Å; I121-L158 HydrophobicContact CG1-CB 4.07Å; L150-L158 HydrophobicContact CD1-CD1 3.91Å; T154-L158 HydrophobicContact CG2-CD1 4.04Å; T154-L158 HydrophobicContact CG2-CG 4.36Å; T154-L158 WeakPolarHBondContact O-CB 3.34Å; T154-L158 WeakPolarHBondContact O-CG 3.33Å; T154-L158 PolarHBondContact O-N 3.29Å; I155-L158 PolarHBondContact O-N 2.94Å; I155-L158 VanDerWaalsContact O-N 3.15Å; L158-S161 PolarHBondContact O-N 3.03Å; L158-F162 VanDerWaalsContact O-CB 3.28Å; L158-F162 WeakPolarHBondContact O-CB 3.43Å; L158-F162 PolarHBondContact O-N 3.23Å |
| 159 | E | 97.8 | Very high | 97.1 | Very high | 26 Ų | 26 | 62.3 Ų | 62.3 | 12% | 0.121 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.1 | -57 | 178.4 | -172.8 | 171.3 | -157.1 | 0 | 0 | 111 | I121 M124 V125 K128 N141 I155 N156 N157 S161 F162 L163 | I121-E159 HydrophobicContact CD1-CB 3.97Å; M124-E159 HydrophobicContact CE-CB 3.63Å; M124-E159 VanDerWaalsContact CE-CD 3.41Å; M124-E159 HydrophobicContact CE-CG 3.61Å; V125-E159 HydrophobicContact CG2-CG 4.38Å; K128-E159 IonicContact NZ-OE1 3.02Å; K128-E159 PolarHBondContact NZ-OE1 2.83Å; K128-E159 IonicContact NZ-OE2 3.11Å; K128-E159 PolarHBondContact NZ-OE2 2.85Å; N141-E159 PolarHBondContact ND2-OE2 2.99Å; I155-E159 WeakPolarHBondContact O-CB 3.45Å; I155-E159 PolarHBondContact O-N 3.47Å; N156-E159 PolarHBondContact O-N 2.89Å; N157-E159 VanDerWaalsContact C-N 3.34Å; E159-S161 VanDerWaalsContact C-N 3.28Å; E159-S161 PolarHBondContact O-N 3.22Å; E159-F162 PolarHBondContact O-N 3.43Å; E159-L163 HydrophobicContact CG-CD1 3.82Å; E159-L163 HydrophobicContact CG-CG 4.48Å; E159-L163 WeakPolarHBondContact O-CB 3.31Å; E159-L163 VanDerWaalsContact O-CG 3.3Å; E159-L163 WeakPolarHBondContact O-CG 3.41Å; E159-L163 PolarHBondContact O-N 3.12Å |
| 160 | M | 97.7 | Very high | 97.1 | Very high | 91 Ų | 91 | 56.1 Ų | 56.1 | 45% | 0.448 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61 | -39.5 | 179.4 | -71.3 | -58.2 | -58.5 | 0 | 0 | 111.8 | N156 N164 W168 | N156-M160 WeakPolarHBondContact O-CG 3.46Å; N156-M160 PolarHBondContact O-N 3.31Å; M160-N164 VanDerWaalsContact O-CB 3.28Å; M160-N164 WeakPolarHBondContact O-CB 3.3Å; M160-N164 PolarHBondContact O-N 3.1Å; M160-N164 PolarHBondContact O-ND2 3.4Å; M160-W168 HydrophobicContact CE-CH2 4.47Å; M160-W168 HydrophobicContact CE-CZ2 4.03Å; M160-W168 HydrophobicContact SD-CH2 4.43Å; M160-W168 HydrophobicContact SD-CZ2 4.49Å |
| 161 | S | 97.8 | Very high | 97.2 | Very high | 57 Ų | 57 | 61 Ų | 61 | 40% | 0.399 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.4 | -43 | 177.2 | -170.8 | 0 | 0 | 0 | 0 | 112 | Y109 N157 L158 E159 A165 | Y109-S161 WeakPolarHBondContact CE2-OG 3.43Å; N157-S161 WeakPolarHBondContact O-CB 3.36Å; N157-S161 PolarHBondContact O-N 3.49Å; L158-S161 PolarHBondContact O-N 3.03Å; E159-S161 VanDerWaalsContact C-N 3.28Å; E159-S161 PolarHBondContact O-N 3.22Å; S161-A165 VanDerWaalsContact O-CB 3.28Å; S161-A165 WeakPolarHBondContact O-CB 3.44Å; S161-A165 PolarHBondContact O-N 3.13Å |
| 162 | F | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.4 | -47.7 | 176.5 | -176.6 | -90.4 | 0 | 0 | 0 | 111.9 | Y98 I99 L102 Y109 L118 I121 V125 L158 E159 N164 A165 I166 | Y98-F162 HydrophobicContact CD2-CE1 4.27Å; Y98-F162 HydrophobicContact CD2-CZ 4.35Å; I99-F162 HydrophobicContact CD1-CE2 4.42Å; L102-F162 HydrophobicContact CD1-CD2 3.92Å; L102-F162 HydrophobicContact CD1-CE2 3.36Å; L102-F162 HydrophobicContact CD1-CZ 3.92Å; Y109-F162 HydrophobicContact CE1-CD2 4.08Å; Y109-F162 WeakPolarHBondContact OH-CA 3.2Å; Y109-F162 WeakPolarHBondContact OH-CB 3.46Å; L118-F162 HydrophobicContact CD1-CD2 4.34Å; L118-F162 HydrophobicContact CD1-CE2 4Å; I121-F162 HydrophobicContact CG1-CB 4Å; I121-F162 HydrophobicContact CG1-CG 4.38Å; I121-F162 HydrophobicContact CG2-CB 4.03Å; I121-F162 HydrophobicContact CG2-CD2 3.5Å; I121-F162 VanDerWaalsContact CG2-CD2 3.5Å; I121-F162 HydrophobicContact CG2-CE2 4.11Å; I121-F162 HydrophobicContact CG2-CG 3.88Å; V125-F162 HydrophobicContact CB-CD1 4.29Å; V125-F162 HydrophobicContact CB-CE1 4.16Å; V125-F162 HydrophobicContact CG1-CD1 4.35Å; V125-F162 HydrophobicContact CG1-CE1 4.13Å; V125-F162 HydrophobicContact CG2-CD1 3.91Å; V125-F162 HydrophobicContact CG2-CE1 4.29Å; L158-F162 VanDerWaalsContact O-CB 3.28Å; L158-F162 WeakPolarHBondContact O-CB 3.43Å; L158-F162 PolarHBondContact O-N 3.23Å; E159-F162 PolarHBondContact O-N 3.43Å; F162-N164 VanDerWaalsContact C-N 3.33Å; F162-N164 PolarHBondContact O-N 3.29Å; F162-A165 PolarHBondContact O-N 3.1Å; F162-A165 VanDerWaalsContact O-N 3.11Å; F162-I166 HydrophobicContact CD1-CG2 4.5Å; F162-I166 HydrophobicContact CE1-CG2 4.41Å; F162-I166 WeakPolarHBondContact O-CG2 3.47Å; F162-I166 PolarHBondContact O-N 3.36Å |
| 163 | L | 98.1 | Very high | 97 | Very high | 11 Ų | 11 | 59.9 Ų | 59.9 | 6% | 0.058 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.3 | -41.7 | 179 | -70.6 | 170.7 | 0 | 0 | 0 | 111.8 | V125 E159 E167 W168 L170 | V125-L163 HydrophobicContact CG1-CD2 3.82Å; V125-L163 HydrophobicContact CG2-CD2 4.29Å; V125-L163 HydrophobicContact CG2-CG 4.47Å; E159-L163 HydrophobicContact CG-CD1 3.82Å; E159-L163 HydrophobicContact CG-CG 4.48Å; E159-L163 WeakPolarHBondContact O-CB 3.31Å; E159-L163 VanDerWaalsContact O-CG 3.3Å; E159-L163 WeakPolarHBondContact O-CG 3.41Å; E159-L163 PolarHBondContact O-N 3.12Å; L163-E167 PolarHBondContact O-N 2.84Å; L163-W168 HydrophobicContact CB-CD2 4.17Å; L163-W168 HydrophobicContact CB-CE3 4.36Å; L163-W168 HydrophobicContact CB-CH2 4.26Å; L163-W168 HydrophobicContact CB-CZ2 4.04Å; L163-W168 HydrophobicContact CB-CZ3 4.42Å; L163-W168 HydrophobicContact CD1-CE3 4.33Å; L163-W168 HydrophobicContact CD1-CH2 3.69Å; L163-W168 HydrophobicContact CD1-CZ2 4.27Å; L163-W168 HydrophobicContact CD1-CZ3 3.72Å; L163-W168 HydrophobicContact CD2-CE3 4.26Å; L163-W168 HydrophobicContact CD2-CZ3 4.41Å; L163-W168 HydrophobicContact CG-CZ3 4.41Å; L163-W168 PolarHBondContact O-N 3.13Å; L163-L170 HydrophobicContact CD2-CD1 3.95Å; L163-L170 HydrophobicContact CD2-CD2 4.04Å; L163-L170 HydrophobicContact CD2-CG 4.38Å |
| 164 | N | 97.6 | Very high | 96.8 | Very high | 94 Ų | 94 | 55.7 Ų | 55.7 | 50% | 0.503 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.6 | -40.4 | 173.2 | -72.1 | -28.8 | 0 | 0 | 0 | 111.9 | M160 F162 I166 E167 W168 | M160-N164 VanDerWaalsContact O-CB 3.28Å; M160-N164 WeakPolarHBondContact O-CB 3.3Å; M160-N164 PolarHBondContact O-N 3.1Å; M160-N164 PolarHBondContact O-ND2 3.4Å; F162-N164 VanDerWaalsContact C-N 3.33Å; F162-N164 PolarHBondContact O-N 3.29Å; N164-I166 VanDerWaalsContact C-N 3.33Å; N164-I166 PolarHBondContact O-N 2.94Å; N164-E167 PolarHBondContact O-N 2.89Å; N164-E167 VanDerWaalsContact O-N 3.14Å; N164-W168 PolarHBondContact OD1-NE1 3.28Å |
| 165 | A | 97.5 | Very high | 96.6 | Very high | 7 Ų | 7 | 60 Ų | 60 | 6% | 0.058 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.1 | -31.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L102 Y109 S161 F162 | L102-A165 HydrophobicContact CD2-CB 3.78Å; L102-A165 WeakPolarHBondContact CD2-O 3.49Å; Y109-A165 HydrophobicContact CD1-CB 4Å; Y109-A165 HydrophobicContact CD2-CB 3.65Å; Y109-A165 HydrophobicContact CE1-CB 4.33Å; Y109-A165 HydrophobicContact CE2-CB 3.99Å; Y109-A165 HydrophobicContact CG-CB 3.64Å; S161-A165 VanDerWaalsContact O-CB 3.28Å; S161-A165 WeakPolarHBondContact O-CB 3.44Å; S161-A165 PolarHBondContact O-N 3.13Å; F162-A165 PolarHBondContact O-N 3.1Å; F162-A165 VanDerWaalsContact O-N 3.11Å |
| 166 | I | 96.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 5.5 | 173.9 | -157.2 | 168.1 | 0 | 0 | 0 | 112.8 | Y98 R101 L102 F162 N164 W168 S169 L170 | Y98-I166 HydrophobicContact CD1-CD1 3.99Å; Y98-I166 HydrophobicContact CG-CD1 3.92Å; R101-I166 HydrophobicContact CB-CD1 4.13Å; R101-I166 HydrophobicContact CB-CG1 4.31Å; L102-I166 HydrophobicContact CD2-CB 4.02Å; L102-I166 HydrophobicContact CG-CB 4.34Å; L102-I166 HydrophobicContact CG-CD1 4.46Å; L102-I166 HydrophobicContact CG-CG1 4.43Å; F162-I166 HydrophobicContact CD1-CG2 4.5Å; F162-I166 HydrophobicContact CE1-CG2 4.41Å; F162-I166 WeakPolarHBondContact O-CG2 3.47Å; F162-I166 PolarHBondContact O-N 3.36Å; N164-I166 VanDerWaalsContact C-N 3.33Å; N164-I166 PolarHBondContact O-N 2.94Å; I166-W168 PolarHBondContact O-N 2.95Å; I166-S169 WeakPolarHBondContact O-CB 3.48Å; I166-S169 PolarHBondContact O-N 3.35Å; I166-L170 HydrophobicContact CG2-CD2 4.2Å |
| 167 | E | 96.8 | Very high | 96.4 | Very high | 128 Ų | 128 | 60.8 Ų | 60.8 | 60% | 0.598 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 37.2 | 179.5 | -55 | 169.9 | 158.9 | 0 | 0 | 113 | R105 L163 N164 S169 | R105-E167 IonicContact CZ-OE2 3.42Å; R105-E167 IonicContact NH1-OE2 2.66Å; R105-E167 PolarHBondContact NH1-OE2 3.46Å; L163-E167 PolarHBondContact O-N 2.84Å; N164-E167 PolarHBondContact O-N 2.89Å; N164-E167 VanDerWaalsContact O-N 3.14Å; E167-S169 PolarHBondContact O-N 3.38Å |
| 168 | W | 96.8 | Very high | 96.2 | Very high | 145 Ų | 145 | 56.2 Ų | 56.2 | 55% | 0.549 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 17.7 | -177.5 | -57.8 | 80.1 | 0 | 0 | 0 | 114.3 | M160 L163 N164 I166 L170 | M160-W168 HydrophobicContact CE-CH2 4.47Å; M160-W168 HydrophobicContact CE-CZ2 4.03Å; M160-W168 HydrophobicContact SD-CH2 4.43Å; M160-W168 HydrophobicContact SD-CZ2 4.49Å; L163-W168 HydrophobicContact CB-CD2 4.17Å; L163-W168 HydrophobicContact CB-CE3 4.36Å; L163-W168 HydrophobicContact CB-CH2 4.26Å; L163-W168 HydrophobicContact CB-CZ2 4.04Å; L163-W168 HydrophobicContact CB-CZ3 4.42Å; L163-W168 HydrophobicContact CD1-CE3 4.33Å; L163-W168 HydrophobicContact CD1-CH2 3.69Å; L163-W168 HydrophobicContact CD1-CZ2 4.27Å; L163-W168 HydrophobicContact CD1-CZ3 3.72Å; L163-W168 HydrophobicContact CD2-CE3 4.26Å; L163-W168 HydrophobicContact CD2-CZ3 4.41Å; L163-W168 HydrophobicContact CG-CZ3 4.41Å; L163-W168 PolarHBondContact O-N 3.13Å; N164-W168 PolarHBondContact OD1-NE1 3.28Å; I166-W168 PolarHBondContact O-N 2.95Å; W168-L170 PolarHBondContact O-N 3.3Å |
| 169 | S | 96.3 | Very high | 96.1 | Very high | 30 Ų | 30 | 57.8 Ų | 57.8 | 21% | 0.21 | 29% | 0.285 | C | S | . | . | trans | -79.8 | 67.4 | -180 | -173.3 | 0 | 0 | 0 | 0 | 111.3 | R101 R105 I166 E167 | R101-S169 PolarHBondContact NH1-O 3.5Å; R105-S169 PolarHBondContact NH2-OG 2.84Å; I166-S169 WeakPolarHBondContact O-CB 3.48Å; I166-S169 PolarHBondContact O-N 3.35Å; E167-S169 PolarHBondContact O-N 3.38Å | ||
| 170 | L | 96.4 | Very high | 96 | Very high | 28 Ų | 28 | 57.9 Ų | 57.9 | 15% | 0.147 | 29% | 0.286 | C | S | . | . | trans | -87.9 | -31 | -177.4 | -57.1 | -176.6 | 0 | 0 | 0 | 113.4 | Y98 V125 Y129 L163 I166 W168 T172 | Y98-L170 HydrophobicContact CE1-CD2 4.41Å; Y98-L170 VanDerWaalsContact CE1-O 3.27Å; Y98-L170 WeakPolarHBondContact CE1-O 3.45Å; Y98-L170 HydrophobicContact CE2-CD2 4.12Å; Y98-L170 PolarHBondContact OH-O 2.61Å; V125-L170 HydrophobicContact CG1-CD1 4.05Å; V125-L170 HydrophobicContact CG1-CD2 3.55Å; V125-L170 HydrophobicContact CG1-CG 4.46Å; Y129-L170 HydrophobicContact CD2-CB 3.75Å; Y129-L170 HydrophobicContact CD2-CD1 4.32Å; Y129-L170 HydrophobicContact CE2-CB 4.01Å; Y129-L170 HydrophobicContact CG-CB 4.5Å; L163-L170 HydrophobicContact CD2-CD1 3.95Å; L163-L170 HydrophobicContact CD2-CD2 4.04Å; L163-L170 HydrophobicContact CD2-CG 4.38Å; I166-L170 HydrophobicContact CG2-CD2 4.2Å; W168-L170 PolarHBondContact O-N 3.3Å; L170-T172 PolarHBondContact O-N 3.28Å; L170-T172 VanDerWaalsContact O-N 3.13Å; L170-T172 PolarHBondContact O-OG1 3.45Å; L170-T172 VanDerWaalsContact O-OG1 3.1Å | ||
| 171 | F | 96.1 | Very high | 95.9 | Very high | 138 Ų | 138 | 53.5 Ų | 53.5 | 61% | 0.605 | 26% | 0.264 | S | S | * | . | trans | -54.7 | 123.3 | -179.8 | 176.3 | -99.9 | 0 | 0 | 0 | 111.2 | R101 E173 | R101-F171 VanDerWaalsContact CZ-O 3.24Å; R101-F171 PolarHBondContact NH1-O 3.46Å; R101-F171 PolarHBondContact NH2-O 2.91Å; F171-E173 HydrophobicContact CE1-CG 3.94Å | ||
| 172 | T | 94.9 | Very high | 95.8 | Very high | 18 Ų | 18 | 55 Ų | 55 | 11% | 0.11 | 26% | 0.261 | C | S | . | . | trans | -114.2 | 120.7 | -175.6 | -63.1 | 0 | 0 | 0 | 0 | 109.7 | V97 L170 D176 F177 | V97-T172 HydrophobicContact CB-CG2 4.33Å; V97-T172 HydrophobicContact CG1-CG2 4.01Å; V97-T172 HydrophobicContact CG2-CG2 3.97Å; L170-T172 PolarHBondContact O-N 3.28Å; L170-T172 VanDerWaalsContact O-N 3.13Å; L170-T172 PolarHBondContact O-OG1 3.45Å; L170-T172 VanDerWaalsContact O-OG1 3.1Å; T172-D176 HydrophobicContact CG2-CB 4.03Å; T172-F177 HydrophobicContact CG2-CB 4.26Å | ||
| 173 | E | 93.9 | Very high | 95.6 | Very high | 106 Ų | 106 | 60.1 Ų | 60.1 | 50% | 0.495 | 29% | 0.285 | S | S | . | . | trans | -67.5 | 146.5 | 174.8 | -68.7 | -177.3 | -168.8 | 0 | 0 | 110.2 | F171 K175 D176 F177 | F171-E173 HydrophobicContact CE1-CG 3.94Å; E173-K175 PolarHBondContact O-N 3.35Å; E173-K175 VanDerWaalsContact O-N 3.13Å; E173-D176 WeakPolarHBondContact O-CB 3.49Å; E173-D176 PolarHBondContact O-N 3.46Å; E173-D176 VanDerWaalsContact O-N 3.11Å; E173-F177 PolarHBondContact O-N 2.89Å; E173-F177 VanDerWaalsContact O-N 3.17Å | ||
| 174 | P | 93 | Very high | 95.5 | Very high | 50 Ų | 50 | 59.6 Ų | 59.6 | 33% | 0.325 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -55.8 | -33.8 | 177.9 | -27.1 | 34.7 | 0 | 0 | 0 | 113.5 | F3 F177 F178 | F3-P174 HydrophobicContact CB-CB 3.78Å; F3-P174 HydrophobicContact CD1-CB 3.99Å; F3-P174 HydrophobicContact CD1-CG 4.03Å; F3-P174 HydrophobicContact CD2-CB 3.45Å; F3-P174 VanDerWaalsContact CD2-CB 3.45Å; F3-P174 HydrophobicContact CD2-CG 3.87Å; F3-P174 HydrophobicContact CE1-CB 4.44Å; F3-P174 HydrophobicContact CE1-CG 4.02Å; F3-P174 HydrophobicContact CE2-CB 3.94Å; F3-P174 HydrophobicContact CE2-CG 3.84Å; F3-P174 HydrophobicContact CG-CB 3.46Å; F3-P174 VanDerWaalsContact CG-CB 3.46Å; F3-P174 HydrophobicContact CG-CG 3.95Å; F3-P174 HydrophobicContact CZ-CB 4.41Å; F3-P174 HydrophobicContact CZ-CG 3.91Å; P174-F177 WeakPolarHBondContact O-CB 3.46Å; P174-F177 PolarHBondContact O-N 3.21Å; P174-F178 WeakPolarHBondContact O-CD2 3.3Å; P174-F178 PolarHBondContact O-N 3.05Å |
| 175 | K | 93.4 | Very high | 95.5 | Very high | 139 Ų | 139 | 55.2 Ų | 55.2 | 60% | 0.604 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -61.4 | -50.5 | 177 | -175.8 | -176.4 | 173 | -169.4 | 0 | 111.6 | E173 F177 F178 D179 | E173-K175 PolarHBondContact O-N 3.35Å; E173-K175 VanDerWaalsContact O-N 3.13Å; K175-F177 VanDerWaalsContact C-N 3.28Å; K175-F177 PolarHBondContact O-N 2.99Å; K175-F178 PolarHBondContact O-N 2.88Å; K175-D179 WeakPolarHBondContact O-CB 3.36Å; K175-D179 VanDerWaalsContact O-CG 3.25Å; K175-D179 PolarHBondContact O-N 3.35Å |
| 176 | D | 95 | Very high | 95.4 | Very high | 53 Ų | 53 | 55.6 Ų | 55.6 | 28% | 0.283 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -55.9 | -45.7 | 176.9 | -69.9 | -13.4 | 0 | 0 | 0 | 110.7 | V97 R101 T172 E173 D179 I180 | V97-D176 HydrophobicContact CG1-CB 4.29Å; V97-D176 HydrophobicContact CG2-CB 4.19Å; R101-D176 IonicContact NH2-OD2 2.83Å; R101-D176 PolarHBondContact NH2-OD2 3.28Å; R101-D176 VanDerWaalsContact NH2-OD2 3.11Å; T172-D176 HydrophobicContact CG2-CB 4.03Å; E173-D176 WeakPolarHBondContact O-CB 3.49Å; E173-D176 PolarHBondContact O-N 3.46Å; E173-D176 VanDerWaalsContact O-N 3.11Å; D176-D179 PolarHBondContact O-N 2.64Å; D176-I180 WeakPolarHBondContact O-CG1 3.35Å; D176-I180 PolarHBondContact O-N 3.4Å |
| 177 | F | 95.3 | Very high | 95.3 | Very high | 27 Ų | 27 | 56.4 Ų | 56.4 | 12% | 0.118 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.4 | -51 | 177.3 | 178.7 | -87.5 | 0 | 0 | 0 | 112 | C90 M93 L94 T172 E173 P174 K175 D179 I180 L181 | C90-F177 HydrophobicContact CB-CE2 4.48Å; M93-F177 HydrophobicContact CB-CD2 3.69Å; M93-F177 HydrophobicContact CB-CE2 3.38Å; M93-F177 HydrophobicContact CB-CZ 4Å; M93-F177 HydrophobicContact CE-CE2 4.17Å; M93-F177 HydrophobicContact CE-CZ 3.68Å; M93-F177 HydrophobicContact CG-CD2 4.45Å; M93-F177 HydrophobicContact CG-CE2 4.01Å; M93-F177 HydrophobicContact CG-CZ 4.12Å; L94-F177 HydrophobicContact CD1-CD2 3.63Å; L94-F177 HydrophobicContact CD1-CE2 3.8Å; T172-F177 HydrophobicContact CG2-CB 4.26Å; E173-F177 PolarHBondContact O-N 2.89Å; E173-F177 VanDerWaalsContact O-N 3.17Å; P174-F177 WeakPolarHBondContact O-CB 3.46Å; P174-F177 PolarHBondContact O-N 3.21Å; K175-F177 VanDerWaalsContact C-N 3.28Å; K175-F177 PolarHBondContact O-N 2.99Å; F177-D179 VanDerWaalsContact C-N 3.34Å; F177-D179 PolarHBondContact O-N 3.22Å; F177-I180 PolarHBondContact O-N 3.34Å; F177-L181 HydrophobicContact CE1-CD2 4.38Å; F177-L181 WeakPolarHBondContact O-CB 3.34Å; F177-L181 PolarHBondContact O-N 3.05Å |
| 178 | F | 94.4 | Very high | 95.3 | Very high | 5 Ų | 5 | 50.3 Ų | 50.3 | 2% | 0.022 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -72 | -27 | -177.8 | -82.8 | -66.2 | 0 | 0 | 0 | 113.5 | F3 L6 L29 P174 K175 L181 R182 | F3-F178 HydrophobicContact CB-CD2 4.06Å; F3-F178 HydrophobicContact CB-CE2 3.76Å; F3-F178 AromaticContact CD2-CE2 3.97Å; F3-F178 HydrophobicContact CD2-CE2 3.97Å; F3-F178 HydrophobicContact CG-CE2 4.37Å; L6-F178 HydrophobicContact CD1-CE1 4.26Å; L6-F178 HydrophobicContact CD1-CZ 3.81Å; L29-F178 HydrophobicContact CD1-CE1 3.8Å; L29-F178 HydrophobicContact CD1-CZ 4.2Å; P174-F178 WeakPolarHBondContact O-CD2 3.3Å; P174-F178 PolarHBondContact O-N 3.05Å; K175-F178 PolarHBondContact O-N 2.88Å; F178-L181 HydrophobicContact CD1-CD2 4.02Å; F178-L181 HydrophobicContact CE1-CD2 4.14Å; F178-R182 WeakPolarHBondContact O-CB 3.46Å; F178-R182 VanDerWaalsContact O-CG 3.31Å; F178-R182 WeakPolarHBondContact O-CG 3.4Å; F178-R182 PolarHBondContact O-N 2.89Å; F178-R182 PolarHBondContact O-NE 2.93Å; F178-R182 VanDerWaalsContact O-NE 3.13Å |
| 179 | D | 94.3 | Very high | 95.3 | Very high | 61 Ų | 61 | 43.5 Ų | 43.5 | 33% | 0.326 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -68.3 | -45.3 | 173.1 | -74.4 | -16.9 | 0 | 0 | 0 | 110.2 | K175 D176 F177 R182 H183 | K175-D179 WeakPolarHBondContact O-CB 3.36Å; K175-D179 VanDerWaalsContact O-CG 3.25Å; K175-D179 PolarHBondContact O-N 3.35Å; D176-D179 PolarHBondContact O-N 2.64Å; F177-D179 VanDerWaalsContact C-N 3.34Å; F177-D179 PolarHBondContact O-N 3.22Å; D179-R182 PolarHBondContact O-N 3.01Å; D179-R182 IonicContact OD1-CZ 3.04Å; D179-R182 IonicContact OD1-NE 3.98Å; D179-R182 IonicContact OD1-NH1 3.05Å; D179-R182 PolarHBondContact OD1-NH1 3.46Å; D179-R182 IonicContact OD1-NH2 2.67Å; D179-R182 PolarHBondContact OD1-NH2 3.21Å; D179-H183 WeakPolarHBondContact O-CB 3.25Å; D179-H183 PolarHBondContact O-N 2.95Å |
| 180 | I | 96.3 | Very high | 95.2 | Very high | 27 Ų | 27 | 45.5 Ų | 45.5 | 14% | 0.138 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63 | -44.3 | 172.8 | -70.5 | -57.5 | 0 | 0 | 0 | 111.8 | M93 L96 V97 D176 F177 R182 H183 L184 | M93-I180 HydrophobicContact CB-CG2 4.34Å; M93-I180 HydrophobicContact CG-CG2 4.17Å; L96-I180 HydrophobicContact CB-CG2 3.6Å; L96-I180 HydrophobicContact CD1-CG2 3.89Å; L96-I180 HydrophobicContact CG-CG2 4.41Å; V97-I180 HydrophobicContact CB-CG1 4.5Å; V97-I180 HydrophobicContact CG2-CB 4.22Å; V97-I180 HydrophobicContact CG2-CG1 3.51Å; D176-I180 WeakPolarHBondContact O-CG1 3.35Å; D176-I180 PolarHBondContact O-N 3.4Å; F177-I180 PolarHBondContact O-N 3.34Å; I180-R182 VanDerWaalsContact C-N 3.34Å; I180-R182 PolarHBondContact O-N 2.92Å; I180-H183 PolarHBondContact O-N 3.03Å; I180-L184 WeakPolarHBondContact O-CB 3.42Å; I180-L184 PolarHBondContact O-N 3.19Å |
| 181 | L | 95.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.5 | -47.1 | 176.4 | 177.1 | 59.4 | 0 | 0 | 0 | 110.9 | L29 V33 L37 M93 F177 F178 H183 L184 E185 | L29-L181 HydrophobicContact CD1-CD2 4.07Å; V33-L181 HydrophobicContact CG2-CD1 4.39Å; V33-L181 HydrophobicContact CG2-CD2 4.42Å; L37-L181 HydrophobicContact CD1-CD1 4.28Å; L37-L181 HydrophobicContact CD2-CD1 4.4Å; M93-L181 HydrophobicContact CE-CD1 4.15Å; M93-L181 HydrophobicContact CG-CB 4.15Å; M93-L181 HydrophobicContact CG-CD1 4.48Å; M93-L181 HydrophobicContact SD-CD1 4.08Å; F177-L181 HydrophobicContact CE1-CD2 4.38Å; F177-L181 WeakPolarHBondContact O-CB 3.34Å; F177-L181 PolarHBondContact O-N 3.05Å; F178-L181 HydrophobicContact CD1-CD2 4.02Å; F178-L181 HydrophobicContact CE1-CD2 4.14Å; L181-H183 VanDerWaalsContact C-N 3.34Å; L181-H183 PolarHBondContact O-N 2.74Å; L181-L184 PolarHBondContact O-N 3.14Å; L181-E185 HydrophobicContact CD1-CG 4.05Å; L181-E185 HydrophobicContact CG-CG 4.32Å; L181-E185 WeakPolarHBondContact O-CB 3.34Å; L181-E185 WeakPolarHBondContact O-CG 3.15Å; L181-E185 PolarHBondContact O-N 3.29Å |
| 182 | R | 94.7 | Very high | 95.1 | Very high | 87 Ų | 87 | 42.5 Ų | 42.5 | 33% | 0.328 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -60.1 | -44.1 | 176.7 | -81.7 | 177.8 | -94.7 | 147.5 | -2.1 | 111.6 | F178 D179 I180 L184 E185 T186 | F178-R182 WeakPolarHBondContact O-CB 3.46Å; F178-R182 VanDerWaalsContact O-CG 3.31Å; F178-R182 WeakPolarHBondContact O-CG 3.4Å; F178-R182 PolarHBondContact O-N 2.89Å; F178-R182 PolarHBondContact O-NE 2.93Å; F178-R182 VanDerWaalsContact O-NE 3.13Å; D179-R182 PolarHBondContact O-N 3.01Å; D179-R182 IonicContact OD1-CZ 3.04Å; D179-R182 IonicContact OD1-NE 3.98Å; D179-R182 IonicContact OD1-NH1 3.05Å; D179-R182 PolarHBondContact OD1-NH1 3.46Å; D179-R182 IonicContact OD1-NH2 2.67Å; D179-R182 PolarHBondContact OD1-NH2 3.21Å; I180-R182 VanDerWaalsContact C-N 3.34Å; I180-R182 PolarHBondContact O-N 2.92Å; R182-L184 VanDerWaalsContact C-N 3.35Å; R182-L184 PolarHBondContact O-N 3.31Å; R182-E185 PolarHBondContact O-N 3.36Å; R182-T186 WeakPolarHBondContact O-CB 3.41Å; R182-T186 PolarHBondContact O-N 2.66Å; R182-T186 PolarHBondContact O-OG1 3.34Å |
| 183 | H | 94.4 | Very high | 95.1 | Very high | 108 Ų | 108 | 41.6 Ų | 41.6 | 50% | 0.5 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -60.8 | -43.6 | 177.1 | -178.9 | 67.3 | 0 | 0 | 0 | 112.4 | D179 I180 L181 S187 | D179-H183 WeakPolarHBondContact O-CB 3.25Å; D179-H183 PolarHBondContact O-N 2.95Å; I180-H183 PolarHBondContact O-N 3.03Å; L181-H183 VanDerWaalsContact C-N 3.34Å; L181-H183 PolarHBondContact O-N 2.74Å; H183-S187 WeakPolarHBondContact O-CB 3.16Å; H183-S187 PolarHBondContact O-N 2.88Å; H183-S187 PolarHBondContact O-OG 2.95Å |
| 184 | L | 96.3 | Very high | 95.1 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.8 | -45.7 | 177.6 | -174 | 62.7 | 0 | 0 | 0 | 111.3 | L37 V54 I57 M93 L96 I180 L181 R182 T186 S187 I188 | L37-L184 HydrophobicContact CD1-CD2 4.29Å; L37-L184 HydrophobicContact CD2-CD2 4.24Å; L37-L184 HydrophobicContact CD2-CG 4.22Å; V54-L184 HydrophobicContact CG1-CD2 4.4Å; I57-L184 HydrophobicContact CB-CD1 3.98Å; I57-L184 HydrophobicContact CG2-CD1 3.59Å; M93-L184 HydrophobicContact SD-CD2 4.26Å; L96-L184 HydrophobicContact CD1-CD2 4.46Å; I180-L184 WeakPolarHBondContact O-CB 3.42Å; I180-L184 PolarHBondContact O-N 3.19Å; L181-L184 PolarHBondContact O-N 3.14Å; R182-L184 VanDerWaalsContact C-N 3.35Å; R182-L184 PolarHBondContact O-N 3.31Å; L184-T186 PolarHBondContact O-N 3.33Å; L184-S187 PolarHBondContact O-N 3.09Å; L184-I188 HydrophobicContact CD1-CD1 4.22Å; L184-I188 HydrophobicContact CG-CD1 4.02Å; L184-I188 WeakPolarHBondContact O-CB 3.21Å; L184-I188 VanDerWaalsContact O-CG1 3.29Å; L184-I188 WeakPolarHBondContact O-CG1 3.49Å; L184-I188 PolarHBondContact O-N 3.48Å |
| 185 | E | 96.2 | Very high | 95.1 | Very high | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.009 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -56.5 | -49.4 | 175.4 | -72 | 174.7 | 169.2 | 0 | 0 | 111.4 | R32 R36 L37 L181 R182 S187 I188 A189 V206 | R32-E185 IonicContact CZ-OE1 3.95Å; R32-E185 IonicContact CZ-OE2 3.73Å; R32-E185 IonicContact NE-OE1 3.56Å; R32-E185 PolarHBondContact NE-OE1 3.4Å; R32-E185 IonicContact NE-OE2 3.56Å; R32-E185 PolarHBondContact NE-OE2 3.49Å; R32-E185 IonicContact NH2-OE1 3.35Å; R32-E185 PolarHBondContact NH2-OE1 3.34Å; R32-E185 IonicContact NH2-OE2 2.77Å; R32-E185 PolarHBondContact NH2-OE2 2.84Å; R36-E185 HydrophobicContact CB-CG 3.82Å; R36-E185 WeakPolarHBondContact CD-OE1 3.48Å; R36-E185 WeakPolarHBondContact CD-OE2 3.2Å; R36-E185 IonicContact CZ-OE2 3.24Å; R36-E185 IonicContact NE-OE2 3.09Å; R36-E185 IonicContact NH1-OE2 3.49Å; R36-E185 PolarHBondContact NH1-OE2 2.83Å; L37-E185 HydrophobicContact CD2-CG 3.87Å; L181-E185 HydrophobicContact CD1-CG 4.05Å; L181-E185 HydrophobicContact CG-CG 4.32Å; L181-E185 WeakPolarHBondContact O-CB 3.34Å; L181-E185 WeakPolarHBondContact O-CG 3.15Å; L181-E185 PolarHBondContact O-N 3.29Å; R182-E185 PolarHBondContact O-N 3.36Å; E185-S187 PolarHBondContact O-N 3.35Å; E185-I188 PolarHBondContact O-N 3.45Å; E185-A189 WeakPolarHBondContact O-CB 3.22Å; E185-A189 PolarHBondContact O-N 3.24Å; E185-V206 HydrophobicContact CB-CG1 3.85Å |
| 186 | T | 95.4 | Very high | 95.2 | Very high | 14 Ų | 14 | 46.2 Ų | 46.2 | 9% | 0.086 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61 | -45.7 | 178.2 | -59.5 | 0 | 0 | 0 | 0 | 111.4 | R182 L184 I188 A189 E190 L207 H210 | R182-T186 WeakPolarHBondContact O-CB 3.41Å; R182-T186 PolarHBondContact O-N 2.66Å; R182-T186 PolarHBondContact O-OG1 3.34Å; L184-T186 PolarHBondContact O-N 3.33Å; T186-I188 VanDerWaalsContact C-N 3.31Å; T186-I188 PolarHBondContact O-N 3.14Å; T186-A189 PolarHBondContact O-N 3.35Å; T186-E190 WeakPolarHBondContact O-CB 3.4Å; T186-E190 PolarHBondContact O-N 3.22Å; T186-L207 HydrophobicContact CG2-CD2 4.11Å; T186-H210 HydrophobicContact CG2-CB 4.44Å |
| 187 | S | 95.6 | Very high | 95.2 | Very high | 18 Ų | 18 | 47 Ų | 47 | 13% | 0.126 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.6 | -38.3 | 179.5 | -61.7 | 0 | 0 | 0 | 0 | 112.4 | H183 L184 E185 K191 | H183-S187 WeakPolarHBondContact O-CB 3.16Å; H183-S187 PolarHBondContact O-N 2.88Å; H183-S187 PolarHBondContact O-OG 2.95Å; L184-S187 PolarHBondContact O-N 3.09Å; E185-S187 PolarHBondContact O-N 3.35Å; S187-K191 WeakPolarHBondContact O-CB 3.47Å; S187-K191 WeakPolarHBondContact O-CG 3.22Å; S187-K191 PolarHBondContact O-N 3.4Å; S187-K191 VanDerWaalsContact O-N 3.13Å |
| 188 | I | 96.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69.2 | -50.1 | 176.3 | -70.4 | 172 | 0 | 0 | 0 | 110.4 | L37 Y38 P53 V54 I57 L184 E185 T186 E190 K191 Q192 | L37-I188 HydrophobicContact CB-CD1 4.44Å; L37-I188 HydrophobicContact CD2-CD1 3.66Å; Y38-I188 HydrophobicContact CD2-CG2 3.51Å; Y38-I188 HydrophobicContact CE2-CG2 3.63Å; P53-I188 HydrophobicContact CB-CG1 4.46Å; P53-I188 HydrophobicContact CB-CG2 3.91Å; V54-I188 HydrophobicContact CB-CD1 4.48Å; V54-I188 HydrophobicContact CG2-CD1 3.61Å; I57-I188 HydrophobicContact CG1-CG1 3.63Å; L184-I188 HydrophobicContact CD1-CD1 4.22Å; L184-I188 HydrophobicContact CG-CD1 4.02Å; L184-I188 WeakPolarHBondContact O-CB 3.21Å; L184-I188 VanDerWaalsContact O-CG1 3.29Å; L184-I188 WeakPolarHBondContact O-CG1 3.49Å; L184-I188 PolarHBondContact O-N 3.48Å; E185-I188 PolarHBondContact O-N 3.45Å; T186-I188 VanDerWaalsContact C-N 3.31Å; T186-I188 PolarHBondContact O-N 3.14Å; I188-E190 VanDerWaalsContact C-N 3.3Å; I188-E190 PolarHBondContact O-N 2.96Å; I188-K191 PolarHBondContact O-N 3.01Å; I188-Q192 HydrophobicContact CG2-CG 3.94Å; I188-Q192 WeakPolarHBondContact O-CB 3.3Å; I188-Q192 VanDerWaalsContact O-CG 3.3Å; I188-Q192 WeakPolarHBondContact O-CG 3.16Å; I188-Q192 PolarHBondContact O-N 3Å |
| 189 | A | 96.1 | Very high | 95.2 | Very high | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.008 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.1 | -44.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | E185 T186 G193 F199 D203 V206 L207 | E185-A189 WeakPolarHBondContact O-CB 3.22Å; E185-A189 PolarHBondContact O-N 3.24Å; T186-A189 PolarHBondContact O-N 3.35Å; A189-G193 PolarHBondContact O-N 3.12Å; A189-F199 WeakPolarHBondContact O-CE1 3.46Å; A189-D203 HydrophobicContact CB-CB 3.98Å; A189-V206 HydrophobicContact CB-CB 4.15Å; A189-V206 HydrophobicContact CB-CG1 3.97Å; A189-L207 HydrophobicContact CB-CD2 4.22Å; A189-L207 HydrophobicContact CB-CG 4.21Å |
| 190 | E | 94.4 | Very high | 95.1 | Very high | 73 Ų | 73 | 55.1 Ų | 55.1 | 34% | 0.341 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.8 | -55.8 | 175.5 | -174.7 | -179.9 | 173.8 | 0 | 0 | 111.5 | T186 I188 Q192 G193 M194 L207 W213 | T186-E190 WeakPolarHBondContact O-CB 3.4Å; T186-E190 PolarHBondContact O-N 3.22Å; I188-E190 VanDerWaalsContact C-N 3.3Å; I188-E190 PolarHBondContact O-N 2.96Å; E190-Q192 PolarHBondContact O-N 3.2Å; E190-G193 PolarHBondContact O-N 2.88Å; E190-M194 HydrophobicContact CG-SD 3.9Å; E190-M194 WeakPolarHBondContact O-CB 2.96Å; E190-M194 VanDerWaalsContact O-CG 3.26Å; E190-M194 WeakPolarHBondContact O-CG 3.1Å; E190-M194 PolarHBondContact O-N 3.38Å; E190-L207 HydrophobicContact CB-CD2 4.47Å; E190-W213 HydrophobicContact CG-CZ2 4.39Å |
| 191 | K | 95.4 | Very high | 94.9 | Very high | 67 Ų | 67 | 63 Ų | 63 | 29% | 0.291 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -67.9 | -38 | -175.3 | -69.4 | -163.8 | -156.7 | 164.2 | 0 | 113.4 | I57 E60 S187 I188 R195 | I57-K191 HydrophobicContact CD1-CB 4.38Å; I57-K191 HydrophobicContact CD1-CD 3.38Å; I57-K191 VanDerWaalsContact CD1-CE 3.43Å; I57-K191 HydrophobicContact CD1-CG 4.1Å; E60-K191 IonicContact OE1-NZ 2.67Å; E60-K191 PolarHBondContact OE1-NZ 3.13Å; E60-K191 IonicContact OE2-NZ 2.95Å; E60-K191 PolarHBondContact OE2-NZ 3.28Å; S187-K191 WeakPolarHBondContact O-CB 3.47Å; S187-K191 WeakPolarHBondContact O-CG 3.22Å; S187-K191 PolarHBondContact O-N 3.4Å; S187-K191 VanDerWaalsContact O-N 3.13Å; I188-K191 PolarHBondContact O-N 3.01Å; K191-R195 WeakPolarHBondContact O-CB 3.35Å; K191-R195 PolarHBondContact O-N 2.84Å |
| 192 | Q | 95.1 | Very high | 94.8 | Very high | 35 Ų | 35 | 65.3 Ų | 65.3 | 16% | 0.164 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -68.4 | -43.6 | 176.9 | -66.8 | -55 | -41.5 | 0 | 0 | 111 | Y38 P53 I188 E190 R195 R196 | Y38-Q192 HydrophobicContact CE1-CB 4.33Å; Y38-Q192 HydrophobicContact CE1-CG 4.18Å; Y38-Q192 HydrophobicContact CE2-CB 4.35Å; Y38-Q192 HydrophobicContact CE2-CG 4.07Å; P53-Q192 HydrophobicContact CB-CG 4.23Å; P53-Q192 HydrophobicContact CG-CG 4.29Å; I188-Q192 HydrophobicContact CG2-CG 3.94Å; I188-Q192 WeakPolarHBondContact O-CB 3.3Å; I188-Q192 VanDerWaalsContact O-CG 3.3Å; I188-Q192 WeakPolarHBondContact O-CG 3.16Å; I188-Q192 PolarHBondContact O-N 3Å; E190-Q192 PolarHBondContact O-N 3.2Å; Q192-R195 PolarHBondContact O-N 3.32Å; Q192-R196 VanDerWaalsContact O-CB 3.23Å; Q192-R196 WeakPolarHBondContact O-CB 3.2Å; Q192-R196 PolarHBondContact O-N 2.89Å |
| 193 | G | 94.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.8 | -45.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A189 E190 R196 G197 W198 | A189-G193 PolarHBondContact O-N 3.12Å; E190-G193 PolarHBondContact O-N 2.88Å; G193-R196 PolarHBondContact O-N 3.4Å; G193-G197 PolarHBondContact O-N 2.99Å; G193-W198 WeakPolarHBondContact CA-O 3.28Å; G193-W198 PolarHBondContact O-N 2.94Å |
| 194 | M | 94.4 | Very high | 94.7 | Very high | 130 Ų | 130 | 60 Ų | 60 | 64% | 0.64 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -65.6 | -44.9 | 176.7 | -71.7 | -178.3 | 73.2 | 0 | 0 | 112.8 | E190 R196 G197 F199 | E190-M194 HydrophobicContact CG-SD 3.9Å; E190-M194 WeakPolarHBondContact O-CB 2.96Å; E190-M194 VanDerWaalsContact O-CG 3.26Å; E190-M194 WeakPolarHBondContact O-CG 3.1Å; E190-M194 PolarHBondContact O-N 3.38Å; M194-R196 VanDerWaalsContact C-N 3.25Å; M194-R196 PolarHBondContact O-N 3.12Å; M194-G197 PolarHBondContact O-N 3.41Å; M194-F199 HydrophobicContact CG-CZ 4.45Å |
| 195 | R | 94.1 | Very high | 94.5 | Very high | 175 Ų | 175 | 61.9 Ų | 61.9 | 66% | 0.66 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -60.2 | -38.7 | 178.8 | 179.1 | -176.3 | -115.6 | 168.3 | 4.3 | 111.6 | D56 K191 Q192 | D56-R195 IonicContact OD2-NH1 2.77Å; D56-R195 PolarHBondContact OD2-NH1 3.32Å; K191-R195 WeakPolarHBondContact O-CB 3.35Å; K191-R195 PolarHBondContact O-N 2.84Å; Q192-R195 PolarHBondContact O-N 3.32Å |
| 196 | R | 94.1 | Very high | 94.4 | Very high | 87 Ų | 87 | 62 Ų | 62 | 33% | 0.328 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -85.2 | -23.6 | -177.1 | -169.3 | 179.4 | 59.8 | -166.1 | -14.7 | 113.2 | Q192 G193 M194 W198 T200 D203 | Q192-R196 VanDerWaalsContact O-CB 3.23Å; Q192-R196 WeakPolarHBondContact O-CB 3.2Å; Q192-R196 PolarHBondContact O-N 2.89Å; G193-R196 PolarHBondContact O-N 3.4Å; M194-R196 VanDerWaalsContact C-N 3.25Å; M194-R196 PolarHBondContact O-N 3.12Å; R196-W198 HydrophobicContact CG-CD2 4.36Å; R196-W198 HydrophobicContact CG-CG 4.3Å; R196-W198 HydrophobicContact CG-CZ2 4.34Å; R196-W198 VanDerWaalsContact CG-NE1 3.33Å; R196-W198 VanDerWaalsContact CZ-CD2 3.5Å; R196-W198 VanDerWaalsContact CZ-CH2 3.41Å; R196-W198 VanDerWaalsContact CZ-O 3.28Å; R196-W198 PolarHBondContact NE-O 2.84Å; R196-W198 PolarHBondContact NH2-O 3.43Å; R196-T200 VanDerWaalsContact NH2-CG2 3.26Å; R196-D203 IonicContact NH2-OD2 3.93Å; R196-D203 PolarHBondContact NH2-OD2 2.91Å |
| 197 | G | 95.8 | Very high | 94.2 | Very high | 68 Ų | 68 | 61.5 Ų | 61.5 | 70% | 0.701 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.6 | 4.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | G193 M194 | G193-G197 PolarHBondContact O-N 2.99Å; M194-G197 PolarHBondContact O-N 3.41Å |
| 198 | W | 94.4 | Very high | 93.9 | Very high | 147 Ų | 147 | 64.6 Ų | 64.6 | 56% | 0.557 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -152.5 | 154.5 | 174.7 | 59.5 | -88.5 | 0 | 0 | 0 | 110.8 | G193 R196 T200 | G193-W198 WeakPolarHBondContact CA-O 3.28Å; G193-W198 PolarHBondContact O-N 2.94Å; R196-W198 HydrophobicContact CG-CD2 4.36Å; R196-W198 HydrophobicContact CG-CG 4.3Å; R196-W198 HydrophobicContact CG-CZ2 4.34Å; R196-W198 VanDerWaalsContact CG-NE1 3.33Å; R196-W198 VanDerWaalsContact CZ-CD2 3.5Å; R196-W198 VanDerWaalsContact CZ-CH2 3.41Å; R196-W198 VanDerWaalsContact CZ-O 3.28Å; R196-W198 PolarHBondContact NE-O 2.84Å; R196-W198 PolarHBondContact NH2-O 3.43Å; W198-T200 HydrophobicContact CH2-CG2 4.25Å; W198-T200 HydrophobicContact CZ3-CG2 3.77Å |
| 199 | F | 94.4 | Very high | 93.4 | Very high | 83 Ų | 83 | 69 Ų | 69 | 36% | 0.364 | 33% | 0.334 | S | S | . | . | trans | -104.3 | 137.5 | -179.1 | -67.9 | -89.8 | 0 | 0 | 0 | 111.1 | A189 M194 D203 L207 | A189-F199 WeakPolarHBondContact O-CE1 3.46Å; M194-F199 HydrophobicContact CG-CZ 4.45Å; F199-D203 HydrophobicContact CB-CB 4.19Å; F199-D203 HydrophobicContact CD1-CB 3.95Å; F199-L207 HydrophobicContact CD1-CD1 3.62Å; F199-L207 HydrophobicContact CE1-CD1 3.49Å; F199-L207 VanDerWaalsContact CE1-CD1 3.49Å; F199-L207 HydrophobicContact CG-CD1 4.49Å; F199-L207 HydrophobicContact CZ-CD1 4.29Å | ||
| 200 | T | 93.3 | Very high | 93 | Very high | 35 Ų | 35 | 72.4 Ų | 72.4 | 22% | 0.215 | 35% | 0.349 | C | S | . | . | trans | -74.7 | 167.2 | 171.8 | 64.6 | 0 | 0 | 0 | 0 | 110.4 | R196 W198 T202 D203 L204 | R196-T200 VanDerWaalsContact NH2-CG2 3.26Å; W198-T200 HydrophobicContact CH2-CG2 4.25Å; W198-T200 HydrophobicContact CZ3-CG2 3.77Å; T200-T202 VanDerWaalsContact C-N 3.26Å; T200-T202 PolarHBondContact O-N 3.43Å; T200-T202 PolarHBondContact OG1-N 3.3Å; T200-D203 WeakPolarHBondContact CB-OD2 3.47Å; T200-D203 WeakPolarHBondContact CG2-OD2 3.28Å; T200-D203 PolarHBondContact N-OD2 3.13Å; T200-D203 PolarHBondContact O-N 3.07Å; T200-D203 PolarHBondContact OG1-N 3.5Å; T200-D203 PolarHBondContact OG1-OD2 2.87Å; T200-L204 WeakPolarHBondContact O-CB 3.43Å; T200-L204 PolarHBondContact O-N 3.45Å | ||
| 201 | Y | 92.6 | Very high | 92.3 | Very high | 191 Ų | 191 | 72.6 Ų | 72.6 | 75% | 0.749 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -53.8 | -45.2 | 169.1 | 177.5 | -102.3 | 0 | 0 | 0 | 111.7 | D203 L204 C205 | Y201-D203 PolarHBondContact O-N 3.15Å; Y201-L204 PolarHBondContact O-N 3.41Å; Y201-C205 VanDerWaalsContact CE1-SG 3.59Å; Y201-C205 PolarHBondContact O-N 2.89Å; Y201-C205 PolarHBondContact O-SG 3.39Å |
| 202 | T | 93.2 | Very high | 91.7 | Very high | 49 Ų | 49 | 72.2 Ų | 72.2 | 30% | 0.301 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.9 | -44.8 | 178 | -51.6 | 0 | 0 | 0 | 0 | 111.7 | R36 T200 L204 C205 V206 | R36-T202 HydrophobicContact CG-CG2 4Å; T200-T202 VanDerWaalsContact C-N 3.26Å; T200-T202 PolarHBondContact O-N 3.43Å; T200-T202 PolarHBondContact OG1-N 3.3Å; T202-L204 VanDerWaalsContact C-N 3.33Å; T202-L204 PolarHBondContact O-N 3.2Å; T202-C205 PolarHBondContact O-N 3.25Å; T202-V206 WeakPolarHBondContact O-CG2 3.4Å; T202-V206 PolarHBondContact O-N 3.16Å |
| 203 | D | 94.4 | Very high | 91 | Very high | 3 Ų | 3 | 74.6 Ų | 74.6 | 2% | 0.016 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.7 | -46.2 | 177.9 | -57 | -43.4 | 0 | 0 | 0 | 110.5 | Y38 A189 R196 F199 T200 Y201 C205 V206 L207 | Y38-D203 PolarHBondContact OH-OD1 3.25Å; Y38-D203 PolarHBondContact OH-OD2 3.18Å; A189-D203 HydrophobicContact CB-CB 3.98Å; R196-D203 IonicContact NH2-OD2 3.93Å; R196-D203 PolarHBondContact NH2-OD2 2.91Å; F199-D203 HydrophobicContact CB-CB 4.19Å; F199-D203 HydrophobicContact CD1-CB 3.95Å; T200-D203 WeakPolarHBondContact CB-OD2 3.47Å; T200-D203 WeakPolarHBondContact CG2-OD2 3.28Å; T200-D203 PolarHBondContact N-OD2 3.13Å; T200-D203 PolarHBondContact O-N 3.07Å; T200-D203 PolarHBondContact OG1-N 3.5Å; T200-D203 PolarHBondContact OG1-OD2 2.87Å; Y201-D203 PolarHBondContact O-N 3.15Å; D203-C205 VanDerWaalsContact C-N 3.35Å; D203-C205 PolarHBondContact O-N 3.01Å; D203-V206 PolarHBondContact O-N 3.42Å; D203-L207 VanDerWaalsContact O-CG 3.3Å; D203-L207 WeakPolarHBondContact O-CG 3.49Å; D203-L207 PolarHBondContact O-N 3.14Å |
| 204 | L | 92.4 | Very high | 90.5 | Very high | 81 Ų | 81 | 76.5 Ų | 76.5 | 42% | 0.424 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64 | -40.5 | 180 | -170.3 | 65.3 | 0 | 0 | 0 | 111.6 | T200 Y201 T202 V206 L207 L208 | T200-L204 WeakPolarHBondContact O-CB 3.43Å; T200-L204 PolarHBondContact O-N 3.45Å; Y201-L204 PolarHBondContact O-N 3.41Å; T202-L204 VanDerWaalsContact C-N 3.33Å; T202-L204 PolarHBondContact O-N 3.2Å; L204-V206 VanDerWaalsContact C-N 3.33Å; L204-V206 PolarHBondContact O-N 3.26Å; L204-L207 PolarHBondContact O-N 3.05Å; L204-L208 HydrophobicContact CD1-CD1 4.38Å; L204-L208 HydrophobicContact CD1-CG 4.36Å; L204-L208 HydrophobicContact CD2-CD1 4.4Å; L204-L208 HydrophobicContact CG-CD1 3.84Å; L204-L208 HydrophobicContact CG-CG 4.26Å; L204-L208 VanDerWaalsContact O-CB 3.29Å; L204-L208 WeakPolarHBondContact O-CB 3.45Å; L204-L208 WeakPolarHBondContact O-CG 3.47Å; L204-L208 PolarHBondContact O-N 3.45Å |
| 205 | C | 91.6 | Very high | 90.2 | Very high | 40 Ų | 40 | 76.8 Ų | 76.8 | 27% | 0.27 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.1 | -42.5 | 173.6 | -72.2 | 0 | 0 | 0 | 0 | 112.1 | Y201 T202 D203 D209 | Y201-C205 VanDerWaalsContact CE1-SG 3.59Å; Y201-C205 PolarHBondContact O-N 2.89Å; Y201-C205 PolarHBondContact O-SG 3.39Å; T202-C205 PolarHBondContact O-N 3.25Å; D203-C205 VanDerWaalsContact C-N 3.35Å; D203-C205 PolarHBondContact O-N 3.01Å; C205-D209 WeakPolarHBondContact O-CB 3.48Å; C205-D209 PolarHBondContact O-N 3.41Å; C205-D209 VanDerWaalsContact O-N 3.09Å |
| 206 | V | 93.7 | Very high | 89.8 | Confident | 4 Ų | 4 | 70.7 Ų | 70.7 | 2% | 0.024 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -65 | -43.8 | 177.3 | 170.2 | 0 | 0 | 0 | 0 | 111.2 | R36 E185 A189 T202 D203 L204 D209 H210 | R36-V206 HydrophobicContact CB-CG2 4.39Å; R36-V206 HydrophobicContact CG-CG2 3.83Å; E185-V206 HydrophobicContact CB-CG1 3.85Å; A189-V206 HydrophobicContact CB-CB 4.15Å; A189-V206 HydrophobicContact CB-CG1 3.97Å; T202-V206 WeakPolarHBondContact O-CG2 3.4Å; T202-V206 PolarHBondContact O-N 3.16Å; D203-V206 PolarHBondContact O-N 3.42Å; L204-V206 VanDerWaalsContact C-N 3.33Å; L204-V206 PolarHBondContact O-N 3.26Å; V206-D209 PolarHBondContact O-N 2.9Å; V206-H210 PolarHBondContact O-N 2.96Å |
| 207 | L | 92.3 | Very high | 89.4 | Confident | 4 Ų | 4 | 69.6 Ų | 69.6 | 2% | 0.021 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -68.3 | -40 | 179.3 | -65.1 | 175.6 | 0 | 0 | 0 | 111.6 | T186 A189 E190 F199 D203 L204 D209 H210 W213 | T186-L207 HydrophobicContact CG2-CD2 4.11Å; A189-L207 HydrophobicContact CB-CD2 4.22Å; A189-L207 HydrophobicContact CB-CG 4.21Å; E190-L207 HydrophobicContact CB-CD2 4.47Å; F199-L207 HydrophobicContact CD1-CD1 3.62Å; F199-L207 HydrophobicContact CE1-CD1 3.49Å; F199-L207 VanDerWaalsContact CE1-CD1 3.49Å; F199-L207 HydrophobicContact CG-CD1 4.49Å; F199-L207 HydrophobicContact CZ-CD1 4.29Å; D203-L207 VanDerWaalsContact O-CG 3.3Å; D203-L207 WeakPolarHBondContact O-CG 3.49Å; D203-L207 PolarHBondContact O-N 3.14Å; L204-L207 PolarHBondContact O-N 3.05Å; L207-D209 VanDerWaalsContact C-N 3.32Å; L207-D209 PolarHBondContact O-N 2.87Å; L207-H210 WeakPolarHBondContact O-CB 3.45Å; L207-H210 PolarHBondContact O-N 3.11Å; L207-H210 VanDerWaalsContact O-N 3.1Å; L207-W213 HydrophobicContact CB-CB 4.45Å; L207-W213 HydrophobicContact CB-CD2 4.46Å; L207-W213 HydrophobicContact CB-CG 4.26Å; L207-W213 HydrophobicContact CD2-CD2 4.32Å; L207-W213 HydrophobicContact CD2-CG 4.31Å; L207-W213 WeakPolarHBondContact O-CB 3.47Å |
| 208 | L | 88.9 | Confident | 89.1 | Confident | 83 Ų | 83 | 68.7 Ų | 68.7 | 44% | 0.435 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67.7 | -30.7 | 177.6 | -73.9 | 171 | 0 | 0 | 0 | 113.4 | L204 H210 L217 | L204-L208 HydrophobicContact CD1-CD1 4.38Å; L204-L208 HydrophobicContact CD1-CG 4.36Å; L204-L208 HydrophobicContact CD2-CD1 4.4Å; L204-L208 HydrophobicContact CG-CD1 3.84Å; L204-L208 HydrophobicContact CG-CG 4.26Å; L204-L208 VanDerWaalsContact O-CB 3.29Å; L204-L208 WeakPolarHBondContact O-CB 3.45Å; L204-L208 WeakPolarHBondContact O-CG 3.47Å; L204-L208 PolarHBondContact O-N 3.45Å; L208-H210 PolarHBondContact O-N 2.84Å; L208-L217 HydrophobicContact CD2-CD1 3.44Å; L208-L217 VanDerWaalsContact CD2-CD1 3.44Å; L208-L217 HydrophobicContact CG-CD1 4.43Å |
| 209 | D | 86.8 | Confident | 88.9 | Confident | 94 Ų | 94 | 63.4 Ų | 63.4 | 50% | 0.503 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -68.8 | -20.1 | 173.5 | -158.2 | 27.9 | 0 | 0 | 0 | 111.3 | R36 C205 V206 L207 | R36-D209 IonicContact NH1-OD2 2.74Å; C205-D209 WeakPolarHBondContact O-CB 3.48Å; C205-D209 PolarHBondContact O-N 3.41Å; C205-D209 VanDerWaalsContact O-N 3.09Å; V206-D209 PolarHBondContact O-N 2.9Å; L207-D209 VanDerWaalsContact C-N 3.32Å; L207-D209 PolarHBondContact O-N 2.87Å |
| 210 | H | 86.3 | Confident | 88.8 | Confident | 71 Ų | 71 | 63.5 Ų | 63.5 | 33% | 0.329 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -84.4 | 122.5 | 177.5 | -163.9 | 71.9 | 0 | 0 | 0 | 111.5 | T186 V206 L207 L208 A212 W213 S214 | T186-H210 HydrophobicContact CG2-CB 4.44Å; V206-H210 PolarHBondContact O-N 2.96Å; L207-H210 WeakPolarHBondContact O-CB 3.45Å; L207-H210 PolarHBondContact O-N 3.11Å; L207-H210 VanDerWaalsContact O-N 3.1Å; L208-H210 PolarHBondContact O-N 2.84Å; H210-A212 VanDerWaalsContact C-N 3.34Å; H210-A212 PolarHBondContact O-N 2.88Å; H210-W213 AromaticContact CD2-CD1 3.89Å; H210-W213 PolarHBondContact O-N 3.44Å; H210-W213 VanDerWaalsContact O-N 3.13Å; H210-S214 PolarHBondContact O-N 2.96Å |
| 211 | S | 81.4 | Confident | 88.8 | Confident | 78 Ų | 78 | 69.3 Ų | 69.3 | 55% | 0.545 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -55.7 | -42.9 | -172.1 | 59.3 | 0 | 0 | 0 | 0 | 113.5 | W213 S214 H215 | S211-W213 PolarHBondContact O-N 3.28Å; S211-S214 PolarHBondContact O-N 2.72Å; S211-S214 PolarHBondContact O-OG 2.96Å; S211-H215 PolarHBondContact O-CD2 3.03Å; S211-H215 PolarHBondContact O-N 3.39Å |
| 212 | A | 81.1 | Confident | 88.9 | Confident | 58 Ų | 58 | 66.6 Ų | 66.6 | 48% | 0.479 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.4 | -41.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | H210 H215 A216 | H210-A212 VanDerWaalsContact C-N 3.34Å; H210-A212 PolarHBondContact O-N 2.88Å; A212-H215 PolarHBondContact O-N 3Å; A212-A216 WeakPolarHBondContact O-CB 3.41Å; A212-A216 PolarHBondContact O-N 3.32Å |
| 213 | W | 81.6 | Confident | 88.9 | Confident | 85 Ų | 85 | 70.4 Ų | 70.4 | 32% | 0.322 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -71.4 | -39.9 | 178.3 | -85.7 | 102.3 | 0 | 0 | 0 | 111.6 | E190 L207 H210 S211 H215 A216 L217 | E190-W213 HydrophobicContact CG-CZ2 4.39Å; L207-W213 HydrophobicContact CB-CB 4.45Å; L207-W213 HydrophobicContact CB-CD2 4.46Å; L207-W213 HydrophobicContact CB-CG 4.26Å; L207-W213 HydrophobicContact CD2-CD2 4.32Å; L207-W213 HydrophobicContact CD2-CG 4.31Å; L207-W213 WeakPolarHBondContact O-CB 3.47Å; H210-W213 AromaticContact CD2-CD1 3.89Å; H210-W213 PolarHBondContact O-N 3.44Å; H210-W213 VanDerWaalsContact O-N 3.13Å; S211-W213 PolarHBondContact O-N 3.28Å; W213-H215 VanDerWaalsContact C-N 3.32Å; W213-H215 PolarHBondContact O-N 2.74Å; W213-A216 PolarHBondContact O-N 3.12Å; W213-L217 WeakPolarHBondContact O-CB 3.28Å; W213-L217 WeakPolarHBondContact O-CG 3.45Å; W213-L217 PolarHBondContact O-N 2.73Å |
| 214 | S | 83.8 | Confident | 89 | Confident | 40 Ų | 40 | 76.1 Ų | 76.1 | 28% | 0.28 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59.3 | -43.3 | 174.5 | 78.7 | 0 | 0 | 0 | 0 | 111.7 | H210 S211 L217 A218 | H210-S214 PolarHBondContact O-N 2.96Å; S211-S214 PolarHBondContact O-N 2.72Å; S211-S214 PolarHBondContact O-OG 2.96Å; S214-L217 PolarHBondContact O-N 3.39Å; S214-A218 WeakPolarHBondContact O-CB 3.3Å; S214-A218 PolarHBondContact O-N 2.66Å |
| 215 | H | 87.8 | Confident | 89.2 | Confident | 136 Ų | 136 | 76.5 Ų | 76.5 | 63% | 0.63 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -67.8 | -42.6 | 177.6 | -73.5 | -170.1 | 0 | 0 | 0 | 111.9 | S211 A212 W213 L217 A218 A219 | S211-H215 PolarHBondContact O-CD2 3.03Å; S211-H215 PolarHBondContact O-N 3.39Å; A212-H215 PolarHBondContact O-N 3Å; W213-H215 VanDerWaalsContact C-N 3.32Å; W213-H215 PolarHBondContact O-N 2.74Å; H215-L217 PolarHBondContact O-N 3.47Å; H215-A218 PolarHBondContact O-N 3.14Å; H215-A219 WeakPolarHBondContact O-CB 3.18Å; H215-A219 PolarHBondContact O-N 3.06Å |
| 216 | A | 86.2 | Confident | 89.4 | Confident | 47 Ų | 47 | 81.2 Ų | 81.2 | 39% | 0.388 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.6 | -44.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A212 W213 A219 I220 | A212-A216 WeakPolarHBondContact O-CB 3.41Å; A212-A216 PolarHBondContact O-N 3.32Å; W213-A216 PolarHBondContact O-N 3.12Å; A216-A219 PolarHBondContact O-N 3.02Å; A216-I220 VanDerWaalsContact O-CG1 3.3Å; A216-I220 WeakPolarHBondContact O-CG1 3.31Å; A216-I220 PolarHBondContact O-N 2.67Å |
| 217 | L | 86.4 | Confident | 89.6 | Confident | 65 Ų | 65 | 85.6 Ų | 85.6 | 34% | 0.34 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -67.2 | -39.4 | 176.9 | -73.5 | 171.1 | 0 | 0 | 0 | 112.2 | L208 W213 S214 H215 A219 I220 Y221 | L208-L217 HydrophobicContact CD2-CD1 3.44Å; L208-L217 VanDerWaalsContact CD2-CD1 3.44Å; L208-L217 HydrophobicContact CG-CD1 4.43Å; W213-L217 WeakPolarHBondContact O-CB 3.28Å; W213-L217 WeakPolarHBondContact O-CG 3.45Å; W213-L217 PolarHBondContact O-N 2.73Å; S214-L217 PolarHBondContact O-N 3.39Å; H215-L217 PolarHBondContact O-N 3.47Å; L217-A219 VanDerWaalsContact C-N 3.33Å; L217-A219 PolarHBondContact O-N 2.68Å; L217-I220 PolarHBondContact O-N 3.24Å; L217-Y221 WeakPolarHBondContact O-CB 3.4Å; L217-Y221 PolarHBondContact O-N 3.42Å |
| 218 | A | 88.4 | Confident | 89.8 | Confident | 48 Ų | 48 | 92 Ų | 92 | 40% | 0.397 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.9 | -42.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | S214 H215 Y221 Q222 | S214-A218 WeakPolarHBondContact O-CB 3.3Å; S214-A218 PolarHBondContact O-N 2.66Å; H215-A218 PolarHBondContact O-N 3.14Å; A218-Y221 PolarHBondContact O-N 2.88Å; A218-Q222 VanDerWaalsContact O-CG 3.28Å; A218-Q222 WeakPolarHBondContact O-CG 3.36Å; A218-Q222 PolarHBondContact O-N 3.18Å |
| 219 | A | 91.2 | Very high | 90.2 | Very high | 37 Ų | 37 | 91.4 Ų | 91.4 | 31% | 0.306 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.5 | -45.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | H215 A216 L217 Y221 Q222 H223 | H215-A219 WeakPolarHBondContact O-CB 3.18Å; H215-A219 PolarHBondContact O-N 3.06Å; A216-A219 PolarHBondContact O-N 3.02Å; L217-A219 VanDerWaalsContact C-N 3.33Å; L217-A219 PolarHBondContact O-N 2.68Å; A219-Y221 VanDerWaalsContact C-N 3.33Å; A219-Y221 PolarHBondContact O-N 2.56Å; A219-Q222 WeakPolarHBondContact O-CB 3.42Å; A219-Q222 PolarHBondContact O-N 2.95Å; A219-H223 PolarHBondContact O-CD2 3.02Å; A219-H223 PolarHBondContact O-N 2.94Å |
| 220 | I | 91.8 | Very high | 90.7 | Very high | 84 Ų | 84 | 92.3 Ų | 92.3 | 43% | 0.431 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.7 | -45.5 | 175.6 | -69.9 | 165.7 | 0 | 0 | 0 | 110.6 | A216 L217 Q222 H223 F224 | A216-I220 VanDerWaalsContact O-CG1 3.3Å; A216-I220 WeakPolarHBondContact O-CG1 3.31Å; A216-I220 PolarHBondContact O-N 2.67Å; L217-I220 PolarHBondContact O-N 3.24Å; I220-Q222 VanDerWaalsContact C-N 3.34Å; I220-Q222 PolarHBondContact O-N 3.37Å; I220-H223 WeakPolarHBondContact O-CB 3.48Å; I220-H223 PolarHBondContact O-N 3.29Å; I220-H223 VanDerWaalsContact O-N 3.13Å; I220-F224 HydrophobicContact CG2-CD2 3.67Å; I220-F224 HydrophobicContact CG2-CE2 3.42Å; I220-F224 VanDerWaalsContact CG2-CE2 3.42Å; I220-F224 VanDerWaalsContact O-CD2 3.24Å; I220-F224 WeakPolarHBondContact O-CD2 3.12Å; I220-F224 PolarHBondContact O-N 3.34Å |
| 221 | Y | 92.6 | Very high | 91.2 | Very high | 158 Ų | 158 | 94.3 Ų | 94.3 | 62% | 0.62 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -59.9 | -43.6 | 176.9 | 178.3 | -99.4 | 0 | 0 | 0 | 111.9 | L217 A218 A219 H223 F224 L225 | L217-Y221 WeakPolarHBondContact O-CB 3.4Å; L217-Y221 PolarHBondContact O-N 3.42Å; A218-Y221 PolarHBondContact O-N 2.88Å; A219-Y221 VanDerWaalsContact C-N 3.33Å; A219-Y221 PolarHBondContact O-N 2.56Å; Y221-H223 VanDerWaalsContact C-N 3.3Å; Y221-H223 PolarHBondContact O-N 3.06Å; Y221-F224 PolarHBondContact O-N 3.41Å; Y221-L225 WeakPolarHBondContact O-CB 3.48Å; Y221-L225 PolarHBondContact O-N 3.26Å |
| 222 | Q | 94.1 | Very high | 91.9 | Very high | 133 Ų | 133 | 92.1 Ų | 92.1 | 62% | 0.621 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -60.2 | -39 | 174.5 | -74.2 | 175.5 | -8.1 | 0 | 0 | 112.1 | A218 A219 I220 L225 K226 | A218-Q222 VanDerWaalsContact O-CG 3.28Å; A218-Q222 WeakPolarHBondContact O-CG 3.36Å; A218-Q222 PolarHBondContact O-N 3.18Å; A219-Q222 WeakPolarHBondContact O-CB 3.42Å; A219-Q222 PolarHBondContact O-N 2.95Å; I220-Q222 VanDerWaalsContact C-N 3.34Å; I220-Q222 PolarHBondContact O-N 3.37Å; Q222-L225 PolarHBondContact O-N 3.46Å; Q222-K226 WeakPolarHBondContact O-CB 3.46Å; Q222-K226 PolarHBondContact O-N 2.95Å |
| 223 | H | 94.9 | Very high | 92.7 | Very high | 129 Ų | 129 | 94.2 Ų | 94.2 | 60% | 0.597 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.5 | -45.1 | 174.9 | -73.3 | -61 | 0 | 0 | 0 | 112.3 | A219 I220 Y221 K226 V227 | A219-H223 PolarHBondContact O-CD2 3.02Å; A219-H223 PolarHBondContact O-N 2.94Å; I220-H223 WeakPolarHBondContact O-CB 3.48Å; I220-H223 PolarHBondContact O-N 3.29Å; I220-H223 VanDerWaalsContact O-N 3.13Å; Y221-H223 VanDerWaalsContact C-N 3.3Å; Y221-H223 PolarHBondContact O-N 3.06Å; H223-K226 PolarHBondContact O-N 2.67Å; H223-V227 WeakPolarHBondContact O-CG2 3.4Å; H223-V227 PolarHBondContact O-N 3.39Å |
| 224 | F | 95.6 | Very high | 93.5 | Very high | 124 Ų | 124 | 95 Ų | 95 | 54% | 0.544 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.6 | -47.4 | 175.5 | -80.4 | -68.1 | 0 | 0 | 0 | 111.7 | I220 Y221 K226 V227 F228 | I220-F224 HydrophobicContact CG2-CD2 3.67Å; I220-F224 HydrophobicContact CG2-CE2 3.42Å; I220-F224 VanDerWaalsContact CG2-CE2 3.42Å; I220-F224 VanDerWaalsContact O-CD2 3.24Å; I220-F224 WeakPolarHBondContact O-CD2 3.12Å; I220-F224 PolarHBondContact O-N 3.34Å; Y221-F224 PolarHBondContact O-N 3.41Å; F224-K226 VanDerWaalsContact C-N 3.29Å; F224-K226 PolarHBondContact O-N 3.12Å; F224-V227 PolarHBondContact O-N 3.39Å; F224-V227 VanDerWaalsContact O-N 3.11Å; F224-F228 HydrophobicContact CB-CD2 4.48Å; F224-F228 WeakPolarHBondContact O-CD2 3.46Å; F224-F228 PolarHBondContact O-N 2.92Å |
| 225 | L | 96.3 | Very high | 94.1 | Very high | 88 Ų | 88 | 100.9 Ų | 100.9 | 46% | 0.461 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -57.6 | -44.2 | 178.1 | -175.8 | 63 | 0 | 0 | 0 | 111.3 | Y221 Q222 V227 F228 C229 | Y221-L225 WeakPolarHBondContact O-CB 3.48Å; Y221-L225 PolarHBondContact O-N 3.26Å; Q222-L225 PolarHBondContact O-N 3.46Å; L225-V227 PolarHBondContact O-N 3.42Å; L225-F228 PolarHBondContact O-N 2.94Å; L225-C229 WeakPolarHBondContact O-CB 3.43Å; L225-C229 PolarHBondContact O-N 3.43Å; L225-C229 PolarHBondContact O-SG 2.97Å |
| 226 | K | 96.3 | Very high | 94.6 | Very high | 140 Ų | 140 | 99.9 Ų | 99.9 | 61% | 0.609 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -59.8 | -44.6 | 175.9 | -172 | 174.1 | -176.9 | 173.2 | 0 | 111.8 | Q222 H223 F224 C229 M230 | Q222-K226 WeakPolarHBondContact O-CB 3.46Å; Q222-K226 PolarHBondContact O-N 2.95Å; H223-K226 PolarHBondContact O-N 2.67Å; F224-K226 VanDerWaalsContact C-N 3.29Å; F224-K226 PolarHBondContact O-N 3.12Å; K226-C229 PolarHBondContact O-N 2.93Å; K226-M230 WeakPolarHBondContact O-CG 3.27Å; K226-M230 PolarHBondContact O-N 3.2Å |
| 227 | V | 97.3 | Very high | 95.1 | Very high | 95 Ų | 95 | 102.4 Ų | 102.4 | 58% | 0.576 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.4 | -45.2 | 177.4 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | H223 F224 L225 C229 M230 L231 | H223-V227 WeakPolarHBondContact O-CG2 3.4Å; H223-V227 PolarHBondContact O-N 3.39Å; F224-V227 PolarHBondContact O-N 3.39Å; F224-V227 VanDerWaalsContact O-N 3.11Å; L225-V227 PolarHBondContact O-N 3.42Å; V227-C229 PolarHBondContact O-N 3.26Å; V227-M230 PolarHBondContact O-N 2.98Å; V227-L231 WeakPolarHBondContact O-CB 3.45Å; V227-L231 PolarHBondContact O-N 3.42Å |
| 228 | F | 96.6 | Very high | 95.6 | Very high | 140 Ų | 140 | 101 Ų | 101 | 61% | 0.614 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.3 | -42.9 | 176.4 | -83.5 | -70.2 | 0 | 0 | 0 | 112.3 | F224 L225 L231 G232 | F224-F228 HydrophobicContact CB-CD2 4.48Å; F224-F228 WeakPolarHBondContact O-CD2 3.46Å; F224-F228 PolarHBondContact O-N 2.92Å; L225-F228 PolarHBondContact O-N 2.94Å; F228-L231 PolarHBondContact O-N 3.03Å; F228-G232 PolarHBondContact O-N 3.26Å |
| 229 | C | 97.4 | Very high | 96 | Very high | 69 Ų | 69 | 101.3 Ų | 101.3 | 47% | 0.466 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.4 | -46.1 | 175.6 | -70.4 | 0 | 0 | 0 | 0 | 111.9 | L225 K226 V227 L231 G232 L233 | L225-C229 WeakPolarHBondContact O-CB 3.43Å; L225-C229 PolarHBondContact O-N 3.43Å; L225-C229 PolarHBondContact O-SG 2.97Å; K226-C229 PolarHBondContact O-N 2.93Å; V227-C229 PolarHBondContact O-N 3.26Å; C229-L231 PolarHBondContact O-N 3.33Å; C229-G232 PolarHBondContact O-N 3.42Å; C229-L233 WeakPolarHBondContact O-CG 3.38Å; C229-L233 PolarHBondContact O-N 3.05Å |
| 230 | M | 96.9 | Very high | 96.2 | Very high | 113 Ų | 113 | 102.2 Ų | 102.2 | 56% | 0.557 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.1 | -41.2 | 178.3 | -66.9 | -63.2 | -107.8 | 0 | 0 | 111.6 | K226 V227 L233 V234 | K226-M230 WeakPolarHBondContact O-CG 3.27Å; K226-M230 PolarHBondContact O-N 3.2Å; V227-M230 PolarHBondContact O-N 2.98Å; M230-L233 PolarHBondContact O-N 2.95Å; M230-L233 HydrophobicContact SD-CD1 4.29Å; M230-V234 WeakPolarHBondContact O-CG2 3.45Å; M230-V234 PolarHBondContact O-N 3.19Å |
| 231 | L | 96.9 | Very high | 96.4 | Very high | 114 Ų | 114 | 100 Ų | 100 | 60% | 0.597 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.1 | -41.4 | 175.5 | -173.9 | 62.3 | 0 | 0 | 0 | 111.7 | V227 F228 C229 V234 Y235 | V227-L231 WeakPolarHBondContact O-CB 3.45Å; V227-L231 PolarHBondContact O-N 3.42Å; F228-L231 PolarHBondContact O-N 3.03Å; C229-L231 PolarHBondContact O-N 3.33Å; L231-V234 PolarHBondContact O-N 2.83Å; L231-Y235 WeakPolarHBondContact O-CB 3.37Å; L231-Y235 PolarHBondContact O-N 3.06Å |
| 232 | G | 97.4 | Very high | 96.6 | Very high | 32 Ų | 32 | 98.3 Ų | 98.3 | 33% | 0.33 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.6 | -43.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | F228 C229 Y235 L236 | F228-G232 PolarHBondContact O-N 3.26Å; C229-G232 PolarHBondContact O-N 3.42Å; G232-Y235 PolarHBondContact O-N 3.33Å; G232-L236 WeakPolarHBondContact O-CG 3.12Å; G232-L236 PolarHBondContact O-N 3.38Å |
| 233 | L | 97.5 | Very high | 96.7 | Very high | 101 Ų | 101 | 97.1 Ų | 97.1 | 53% | 0.529 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.8 | -44 | 175.7 | -74.5 | 170.3 | 0 | 0 | 0 | 112.2 | C229 M230 L236 T237 | C229-L233 WeakPolarHBondContact O-CG 3.38Å; C229-L233 PolarHBondContact O-N 3.05Å; M230-L233 PolarHBondContact O-N 2.95Å; M230-L233 HydrophobicContact SD-CD1 4.29Å; L233-L236 PolarHBondContact O-N 3.01Å; L233-T237 WeakPolarHBondContact O-CB 3.45Å; L233-T237 PolarHBondContact O-N 2.83Å; L233-T237 PolarHBondContact O-OG1 2.95Å |
| 234 | V | 97.4 | Very high | 96.7 | Very high | 102 Ų | 102 | 93.6 Ų | 93.6 | 62% | 0.618 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.9 | -43.3 | 176.9 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | M230 L231 T237 G238 | M230-V234 WeakPolarHBondContact O-CG2 3.45Å; M230-V234 PolarHBondContact O-N 3.19Å; L231-V234 PolarHBondContact O-N 2.83Å; V234-T237 PolarHBondContact O-N 3.16Å; V234-G238 PolarHBondContact O-N 2.79Å |
| 235 | Y | 97.8 | Very high | 96.6 | Very high | 163 Ų | 163 | 90.5 Ų | 90.5 | 64% | 0.639 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.8 | -50.2 | 177 | 178 | -98.8 | 0 | 0 | 0 | 112 | L231 G232 T237 G238 V239 | L231-Y235 WeakPolarHBondContact O-CB 3.37Å; L231-Y235 PolarHBondContact O-N 3.06Å; G232-Y235 PolarHBondContact O-N 3.33Å; Y235-T237 VanDerWaalsContact C-N 3.34Å; Y235-T237 PolarHBondContact O-N 2.94Å; Y235-G238 PolarHBondContact O-N 2.76Å; Y235-V239 HydrophobicContact CD1-CG2 4.41Å; Y235-V239 HydrophobicContact CE1-CG2 3.99Å; Y235-V239 HydrophobicContact CE2-CG2 4.19Å; Y235-V239 WeakPolarHBondContact O-CG2 3.45Å; Y235-V239 PolarHBondContact O-N 2.87Å |
| 236 | L | 97.6 | Very high | 96.4 | Very high | 115 Ų | 115 | 89.7 Ų | 89.7 | 60% | 0.602 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.6 | -42.3 | 178.6 | -71.1 | 173.8 | 0 | 0 | 0 | 112 | G232 L233 G238 V239 A240 | G232-L236 WeakPolarHBondContact O-CG 3.12Å; G232-L236 PolarHBondContact O-N 3.38Å; L233-L236 PolarHBondContact O-N 3.01Å; L236-G238 VanDerWaalsContact C-N 3.34Å; L236-G238 PolarHBondContact O-N 3.26Å; L236-V239 PolarHBondContact O-N 3.07Å; L236-A240 WeakPolarHBondContact O-CB 3.46Å; L236-A240 PolarHBondContact O-N 3.46Å |
| 237 | T | 96.4 | Very high | 96.2 | Very high | 100 Ų | 100 | 85.5 Ų | 85.5 | 61% | 0.613 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.1 | -40.5 | 176.9 | -53.7 | 0 | 0 | 0 | 0 | 111.2 | L233 V234 Y235 A240 G241 | L233-T237 WeakPolarHBondContact O-CB 3.45Å; L233-T237 PolarHBondContact O-N 2.83Å; L233-T237 PolarHBondContact O-OG1 2.95Å; V234-T237 PolarHBondContact O-N 3.16Å; Y235-T237 VanDerWaalsContact C-N 3.34Å; Y235-T237 PolarHBondContact O-N 2.94Å; T237-A240 PolarHBondContact O-N 3.3Å; T237-G241 PolarHBondContact O-N 3.44Å |
| 238 | G | 96.8 | Very high | 96 | Very high | 35 Ų | 35 | 85 Ų | 85 | 36% | 0.361 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.2 | -47.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | V234 Y235 L236 G241 L242 | V234-G238 PolarHBondContact O-N 2.79Å; Y235-G238 PolarHBondContact O-N 2.76Å; L236-G238 VanDerWaalsContact C-N 3.34Å; L236-G238 PolarHBondContact O-N 3.26Å; G238-G241 PolarHBondContact O-N 3.11Å; G238-L242 WeakPolarHBondContact O-CG 3.32Å; G238-L242 PolarHBondContact O-N 3.39Å |
| 239 | V | 97.4 | Very high | 95.8 | Very high | 55 Ų | 55 | 83 Ų | 83 | 33% | 0.333 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.6 | -45.7 | 176.8 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | Y235 L236 G241 L242 I243 | Y235-V239 HydrophobicContact CD1-CG2 4.41Å; Y235-V239 HydrophobicContact CE1-CG2 3.99Å; Y235-V239 HydrophobicContact CE2-CG2 4.19Å; Y235-V239 WeakPolarHBondContact O-CG2 3.45Å; Y235-V239 PolarHBondContact O-N 2.87Å; L236-V239 PolarHBondContact O-N 3.07Å; V239-G241 VanDerWaalsContact C-N 3.3Å; V239-G241 PolarHBondContact O-N 2.88Å; V239-L242 PolarHBondContact O-N 3.24Å; V239-I243 HydrophobicContact CG1-CD1 3.9Å; V239-I243 WeakPolarHBondContact O-CG1 3.48Å; V239-I243 PolarHBondContact O-N 2.97Å |
| 240 | A | 96.1 | Very high | 95.4 | Very high | 56 Ų | 56 | 85.2 Ų | 85.2 | 46% | 0.463 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.4 | -40.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | L236 T237 I243 A244 | L236-A240 WeakPolarHBondContact O-CB 3.46Å; L236-A240 PolarHBondContact O-N 3.46Å; T237-A240 PolarHBondContact O-N 3.3Å; A240-I243 PolarHBondContact O-N 2.99Å; A240-A244 VanDerWaalsContact O-CB 3.28Å; A240-A244 WeakPolarHBondContact O-CB 3.49Å; A240-A244 PolarHBondContact O-N 3.46Å |
| 241 | G | 96.1 | Very high | 94.8 | Very high | 38 Ų | 38 | 85.5 Ų | 85.5 | 39% | 0.392 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.8 | -40.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | T237 G238 V239 S245 | T237-G241 PolarHBondContact O-N 3.44Å; G238-G241 PolarHBondContact O-N 3.11Å; V239-G241 VanDerWaalsContact C-N 3.3Å; V239-G241 PolarHBondContact O-N 2.88Å; G241-S245 WeakPolarHBondContact O-CB 3.37Å; G241-S245 PolarHBondContact O-N 3.42Å; G241-S245 PolarHBondContact O-OG 3.34Å |
| 242 | L | 96.4 | Very high | 94.1 | Very high | 123 Ų | 123 | 85.6 Ų | 85.6 | 64% | 0.644 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65 | -43 | 174 | -70.9 | 175.6 | 0 | 0 | 0 | 111.8 | G238 V239 S245 S246 | G238-L242 WeakPolarHBondContact O-CG 3.32Å; G238-L242 PolarHBondContact O-N 3.39Å; V239-L242 PolarHBondContact O-N 3.24Å; L242-S245 WeakPolarHBondContact CA-OG 3.16Å; L242-S245 PolarHBondContact O-OG 2.87Å; L242-S246 WeakPolarHBondContact O-CB 3.24Å; L242-S246 PolarHBondContact O-N 3.21Å; L242-S246 PolarHBondContact O-OG 2.71Å |
| 243 | I | 95.8 | Very high | 93.2 | Very high | 108 Ų | 108 | 87.2 Ų | 87.2 | 55% | 0.554 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.1 | -48.9 | 176.4 | -65.1 | 166.7 | 0 | 0 | 0 | 110 | V239 A240 S245 S246 A247 | V239-I243 HydrophobicContact CG1-CD1 3.9Å; V239-I243 WeakPolarHBondContact O-CG1 3.48Å; V239-I243 PolarHBondContact O-N 2.97Å; A240-I243 PolarHBondContact O-N 2.99Å; I243-S245 PolarHBondContact O-N 3.25Å; I243-S246 PolarHBondContact O-N 2.9Å; I243-S246 PolarHBondContact O-OG 3.1Å; I243-A247 PolarHBondContact O-N 2.86Å |
| 244 | A | 94.5 | Very high | 92.1 | Very high | 54 Ų | 54 | 87 Ų | 87 | 45% | 0.446 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.3 | -45 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A240 S246 A247 V248 | A240-A244 VanDerWaalsContact O-CB 3.28Å; A240-A244 WeakPolarHBondContact O-CB 3.49Å; A240-A244 PolarHBondContact O-N 3.46Å; A244-S246 PolarHBondContact O-N 2.95Å; A244-A247 PolarHBondContact O-N 3.18Å; A244-V248 WeakPolarHBondContact O-CG2 3.22Å; A244-V248 PolarHBondContact O-N 3.14Å |
| 245 | S | 93.6 | Very high | 90.5 | Very high | 60 Ų | 60 | 85.8 Ų | 85.8 | 42% | 0.42 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.2 | -40.1 | 177.1 | 54.4 | 0 | 0 | 0 | 0 | 112.2 | G241 L242 I243 A247 V248 V249 | G241-S245 WeakPolarHBondContact O-CB 3.37Å; G241-S245 PolarHBondContact O-N 3.42Å; G241-S245 PolarHBondContact O-OG 3.34Å; L242-S245 WeakPolarHBondContact CA-OG 3.16Å; L242-S245 PolarHBondContact O-OG 2.87Å; I243-S245 PolarHBondContact O-N 3.25Å; S245-A247 VanDerWaalsContact C-N 3.34Å; S245-A247 PolarHBondContact O-N 3.34Å; S245-V248 PolarHBondContact O-N 3.04Å; S245-V249 WeakPolarHBondContact O-CG2 3.45Å; S245-V249 PolarHBondContact O-N 2.93Å |
| 246 | S | 92 | Very high | 88.6 | Confident | 71 Ų | 71 | 88 Ų | 88 | 50% | 0.497 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.1 | -40.6 | 174.3 | 76.3 | 0 | 0 | 0 | 0 | 112.3 | L242 I243 A244 V249 H250 | L242-S246 WeakPolarHBondContact O-CB 3.24Å; L242-S246 PolarHBondContact O-N 3.21Å; L242-S246 PolarHBondContact O-OG 2.71Å; I243-S246 PolarHBondContact O-N 2.9Å; I243-S246 PolarHBondContact O-OG 3.1Å; A244-S246 PolarHBondContact O-N 2.95Å; S246-V249 PolarHBondContact O-N 3.44Å; S246-H250 WeakPolarHBondContact O-CB 3.25Å; S246-H250 PolarHBondContact O-N 3Å |
| 247 | A | 92.5 | Very high | 86.6 | Confident | 51 Ų | 51 | 84.8 Ų | 84.8 | 42% | 0.421 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.1 | -42.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I243 A244 S245 H250 Q251 | I243-A247 PolarHBondContact O-N 2.86Å; A244-A247 PolarHBondContact O-N 3.18Å; S245-A247 VanDerWaalsContact C-N 3.34Å; S245-A247 PolarHBondContact O-N 3.34Å; A247-H250 PolarHBondContact O-N 3.24Å; A247-Q251 WeakPolarHBondContact O-CG 3.22Å; A247-Q251 PolarHBondContact O-N 2.89Å |
| 248 | V | 93.7 | Very high | 84.4 | Confident | 86 Ų | 86 | 86.7 Ų | 86.7 | 52% | 0.521 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.2 | -43.9 | 176.8 | 172 | 0 | 0 | 0 | 0 | 111.2 | A244 S245 H250 Q251 L252 | A244-V248 WeakPolarHBondContact O-CG2 3.22Å; A244-V248 PolarHBondContact O-N 3.14Å; S245-V248 PolarHBondContact O-N 3.04Å; V248-H250 VanDerWaalsContact C-N 3.31Å; V248-H250 PolarHBondContact O-N 3.39Å; V248-Q251 PolarHBondContact O-N 3.46Å; V248-L252 HydrophobicContact CG1-CD1 3.94Å; V248-L252 HydrophobicContact CG1-CG 4.45Å; V248-L252 WeakPolarHBondContact O-CG 3.45Å; V248-L252 PolarHBondContact O-N 2.9Å |
| 249 | V | 92.5 | Very high | 82.1 | Confident | 98 Ų | 98 | 92.9 Ų | 92.9 | 59% | 0.594 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.1 | -40.7 | 175.8 | 173.4 | 0 | 0 | 0 | 0 | 111 | S245 S246 L252 S253 | S245-V249 WeakPolarHBondContact O-CG2 3.45Å; S245-V249 PolarHBondContact O-N 2.93Å; S246-V249 PolarHBondContact O-N 3.44Å; V249-L252 PolarHBondContact O-N 3.33Å; V249-S253 WeakPolarHBondContact O-CB 3.36Å; V249-S253 PolarHBondContact O-N 2.99Å; V249-S253 PolarHBondContact O-OG 3.43Å |
| 250 | H | 87.1 | Confident | 79.5 | Confident | 114 Ų | 114 | 95.5 Ų | 95.5 | 53% | 0.528 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.2 | -46.2 | 176.2 | -168.7 | -90 | 0 | 0 | 0 | 111.8 | S246 A247 V248 L252 S253 L254 | S246-H250 WeakPolarHBondContact O-CB 3.25Å; S246-H250 PolarHBondContact O-N 3Å; A247-H250 PolarHBondContact O-N 3.24Å; V248-H250 VanDerWaalsContact C-N 3.31Å; V248-H250 PolarHBondContact O-N 3.39Å; H250-L252 PolarHBondContact O-N 3.34Å; H250-S253 PolarHBondContact O-N 3.3Å; H250-S253 PolarHBondContact O-OG 3.22Å; H250-L254 WeakPolarHBondContact O-CG 3.34Å; H250-L254 PolarHBondContact O-N 3.33Å |
| 251 | Q | 85.7 | Confident | 77 | Confident | 120 Ų | 120 | 96.8 Ų | 96.8 | 56% | 0.561 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -60.9 | -44.5 | 176 | -71 | -69.1 | -8.6 | 0 | 0 | 112.2 | A247 V248 S253 L254 C255 | A247-Q251 WeakPolarHBondContact O-CG 3.22Å; A247-Q251 PolarHBondContact O-N 2.89Å; V248-Q251 PolarHBondContact O-N 3.46Å; Q251-S253 VanDerWaalsContact C-N 3.3Å; Q251-S253 PolarHBondContact O-N 3.41Å; Q251-L254 PolarHBondContact O-N 3.24Å; Q251-C255 PolarHBondContact O-N 3.15Å; Q251-C255 PolarHBondContact O-SG 3.42Å |
| 252 | L | 82.3 | Confident | 74.2 | Confident | 115 Ų | 115 | 102.7 Ų | 102.7 | 60% | 0.602 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -64.9 | -33.7 | 176.6 | -71.1 | 170.5 | 0 | 0 | 0 | 112.6 | V248 V249 H250 R256 | V248-L252 HydrophobicContact CG1-CD1 3.94Å; V248-L252 HydrophobicContact CG1-CG 4.45Å; V248-L252 WeakPolarHBondContact O-CG 3.45Å; V248-L252 PolarHBondContact O-N 2.9Å; V249-L252 PolarHBondContact O-N 3.33Å; H250-L252 PolarHBondContact O-N 3.34Å; L252-R256 WeakPolarHBondContact O-CB 3.29Å; L252-R256 PolarHBondContact O-N 3.07Å; L252-R256 VanDerWaalsContact O-N 3.15Å |
| 253 | S | 77.3 | Confident | 71.6 | Confident | 67 Ų | 67 | 101.9 Ų | 101.9 | 47% | 0.469 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -68.9 | -37.9 | 175.8 | 73.5 | 0 | 0 | 0 | 0 | 112.6 | V249 H250 Q251 R256 G257 | V249-S253 WeakPolarHBondContact O-CB 3.36Å; V249-S253 PolarHBondContact O-N 2.99Å; V249-S253 PolarHBondContact O-OG 3.43Å; H250-S253 PolarHBondContact O-N 3.3Å; H250-S253 PolarHBondContact O-OG 3.22Å; Q251-S253 VanDerWaalsContact C-N 3.3Å; Q251-S253 PolarHBondContact O-N 3.41Å; S253-R256 PolarHBondContact O-N 2.61Å; S253-G257 PolarHBondContact O-N 2.65Å |
| 254 | L | 75.1 | Confident | 68.7 | Low | 95 Ų | 95 | 102.2 Ų | 102.2 | 50% | 0.497 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -67.5 | -46.3 | 175 | -70.9 | 170.1 | 0 | 0 | 0 | 111.5 | H250 Q251 R256 G257 D258 | H250-L254 WeakPolarHBondContact O-CG 3.34Å; H250-L254 PolarHBondContact O-N 3.33Å; Q251-L254 PolarHBondContact O-N 3.24Å; L254-R256 PolarHBondContact O-N 2.97Å; L254-G257 PolarHBondContact O-N 2.91Å; L254-G257 VanDerWaalsContact O-N 3.08Å; L254-D258 PolarHBondContact O-N 3.3Å |
| 255 | C | 63.9 | Low | 66.1 | Low | 78 Ų | 78 | 104.8 Ų | 104.8 | 53% | 0.527 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -62.9 | -25.7 | 176.3 | -70.1 | 0 | 0 | 0 | 0 | 113.7 | Q251 | Q251-C255 PolarHBondContact O-N 3.15Å; Q251-C255 PolarHBondContact O-SG 3.42Å |
| 256 | R | 57.6 | Low | 63.3 | Low | 208 Ų | 208 | 109.2 Ų | 109.2 | 79% | 0.785 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -79.9 | -27.9 | 175.3 | -164 | 175.4 | -166.4 | 175.1 | 4.6 | 112.7 | L252 S253 L254 | L252-R256 WeakPolarHBondContact O-CB 3.29Å; L252-R256 PolarHBondContact O-N 3.07Å; L252-R256 VanDerWaalsContact O-N 3.15Å; S253-R256 PolarHBondContact O-N 2.61Å; L254-R256 PolarHBondContact O-N 2.97Å |
| 257 | G | 55.3 | Low | 60.5 | Low | 49 Ų | 49 | 114.3 Ų | 114.3 | 51% | 0.505 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -64.9 | -37.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | S253 L254 Q259 S260 | S253-G257 PolarHBondContact O-N 2.65Å; L254-G257 PolarHBondContact O-N 2.91Å; L254-G257 VanDerWaalsContact O-N 3.08Å; G257-Q259 PolarHBondContact O-N 3.08Å; G257-S260 PolarHBondContact O-N 3.27Å |
| 258 | D | 51.5 | Low | 57.7 | Low | 139 Ų | 139 | 118.9 Ų | 118.9 | 74% | 0.743 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -76.2 | -16.8 | 180 | -79.6 | -19.9 | 0 | 0 | 0 | 114.3 | L254 S260 | L254-D258 PolarHBondContact O-N 3.3Å; D258-S260 VanDerWaalsContact C-N 3.32Å |
| 259 | Q | 47.7 | Very low | 54.8 | Low | 166 Ų | 166 | 117.9 Ų | 117.9 | 78% | 0.776 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -82.6 | -5.1 | 174.3 | -72.6 | -173.7 | 38.2 | 0 | 0 | 113.9 | G257 A261 | G257-Q259 PolarHBondContact O-N 3.08Å; Q259-A261 VanDerWaalsContact C-N 3.35Å |
| 260 | S | 42 | Very low | 51.9 | Low | 110 Ų | 110 | 121.2 Ų | 121.2 | 77% | 0.769 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -89 | 2.2 | 175 | -166 | 0 | 0 | 0 | 0 | 113.8 | G257 D258 | G257-S260 PolarHBondContact O-N 3.27Å; D258-S260 VanDerWaalsContact C-N 3.32Å |
| 261 | A | 44 | Very low | 49.3 | Very low | 83 Ų | 83 | 122.7 Ų | 122.7 | 69% | 0.686 | 70% | 0.699 | S | S | * | * | trans | -115.6 | 61.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q259 | Q259-A261 VanDerWaalsContact C-N 3.35Š| ||
| 262 | L | 37.6 | Very low | 46.9 | Very low | 161 Ų | 161 | 122.5 Ų | 122.5 | 84% | 0.843 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 123.2 | 162.8 | -165.5 | 75.3 | 0 | 0 | 0 | 108.5 | ||
| 263 | P | 42.5 | Very low | 44.3 | Very low | 107 Ų | 107 | 122.5 Ų | 122.5 | 70% | 0.695 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 131.1 | 177 | 24.6 | -22.2 | 0 | 0 | 0 | 110 | P265 | P263-P265 WeakPolarHBondContact O-CD 3.49Š|
| 264 | S | 33.6 | Very low | 42.5 | Very low | 115 Ų | 115 | 124.7 Ų | 124.7 | 80% | 0.804 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 126.7 | 170.1 | 62.1 | 0 | 0 | 0 | 0 | 109.8 | ||
| 265 | P | 41.3 | Very low | 40.2 | Very low | 108 Ų | 108 | 125.9 Ų | 125.9 | 70% | 0.701 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 133.3 | 172.7 | 28 | -20.4 | 0 | 0 | 0 | 110.5 | P263 | P263-P265 WeakPolarHBondContact O-CD 3.49Š|
| 266 | N | 34.1 | Very low | 38.5 | Very low | 152 Ų | 152 | 130 Ų | 130 | 81% | 0.813 | 75% | 0.753 | S | S | * | * | trans | 91.3 | 102.7 | 159.4 | -54 | -18.3 | 0 | 0 | 0 | 117 | ||||
| 267 | E | 32.6 | Very low | 37.1 | Very low | 178 Ų | 178 | 125.4 Ų | 125.4 | 83% | 0.832 | 75% | 0.752 | S | S | * | * | -154.2 | 130.3 | 109.3 | -111.3 | -176.9 | 177 | 0 | 0 | 112.5 | |||||
| 268 | I | 35.5 | Very low | 36.6 | Very low | 147 Ų | 147 | 128.4 Ų | 128.4 | 75% | 0.754 | 76% | 0.763 | S | S | * | * | trans | 81.2 | 98.3 | 152.6 | -49.5 | 155.9 | 0 | 0 | 0 | 117.5 | ||||
| 269 | G | 31.2 | Very low | 35.3 | Very low | 65 Ų | 65 | 130.6 Ų | 130.6 | 67% | 0.67 | 77% | 0.769 | S | S | * | * | trans | -74.7 | 131.5 | 145.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 270 | L | 31.4 | Very low | 34.3 | Very low | 169 Ų | 169 | 127.1 Ų | 127.1 | 89% | 0.885 | 77% | 0.768 | S | S | * | * | -179.8 | 136.6 | 103.3 | -119 | 84.7 | 0 | 0 | 0 | 109.1 | |||||
| 271 | L | 32.8 | Very low | 33.6 | Very low | 145 Ų | 145 | 126.8 Ų | 126.8 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | trans | -50.1 | 151.5 | 165.9 | -144.7 | 91.5 | 0 | 0 | 0 | 110.6 | ||||
| 272 | P | 35.3 | Very low | 32.8 | Very low | 116 Ų | 116 | 130.8 Ų | 130.8 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | -146.7 | 142.1 | 88.1 | 33.2 | -14.1 | 0 | 0 | 0 | 115.1 | |||||
| 273 | T | 27.6 | Very low | 33.1 | Very low | 114 Ų | 114 | 128.8 Ų | 128.8 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | trans | -49.1 | 147.1 | 148.5 | 10.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 274 | P | 40.2 | Very low | 32.8 | Very low | 114 Ų | 114 | 126.8 Ų | 126.8 | 74% | 0.74 | 77% | 0.768 | S | S | * | * | -149.1 | 163 | 61.4 | 34.8 | -12.2 | 0 | 0 | 0 | 118.1 | |||||
| 275 | T | 27.3 | Very low | 32.7 | Very low | 119 Ų | 119 | 130.8 Ų | 130.8 | 73% | 0.73 | 77% | 0.774 | S | S | * | * | trans | -1.8 | 135.2 | 154.8 | 44.5 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 276 | L | 28.2 | Very low | 32.3 | Very low | 166 Ų | 166 | 137.2 Ų | 137.2 | 87% | 0.869 | 78% | 0.784 | S | S | * | * | -178 | 145.8 | 97.7 | -113.6 | 105.1 | 0 | 0 | 0 | 111.5 | |||||
| 277 | S | 26.6 | Very low | 33 | Very low | 110 Ų | 110 | 135.3 Ų | 135.3 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | trans | -63.7 | -163.8 | 179.6 | -42.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 278 | P | 44.8 | Very low | 33.6 | Very low | 112 Ų | 112 | 132.9 Ų | 132.9 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | -125.2 | 177 | -56.7 | 29.2 | -9.6 | 0 | 0 | 0 | 111 | |||||
| 279 | E | 25.9 | Very low | 33.6 | Very low | 185 Ų | 185 | 131.5 Ų | 131.5 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | trans | 173.6 | 146.1 | 134.6 | -158.2 | 79.6 | 179.6 | 0 | 0 | 109.4 | ||||
| 280 | A | 26.6 | Very low | 33.7 | Very low | 93 Ų | 93 | 135 Ų | 135 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | -80.9 | 157.2 | -170.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 281 | A | 27.5 | Very low | 33.9 | Very low | 104 Ų | 104 | 133 Ų | 133 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | 180 | 125.8 | 122.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 282 | M | 26.8 | Very low | 34.2 | Very low | 167 Ų | 167 | 133.3 Ų | 133.3 | 82% | 0.823 | 79% | 0.791 | S | S | * | * | trans | -79.4 | 169.2 | 165.7 | -85.8 | -130.1 | 89.9 | 0 | 0 | 110.4 | ||||
| 283 | P | 43.4 | Very low | 33.9 | Very low | 118 Ų | 118 | 134.7 Ų | 134.7 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | cis | -146.3 | 166.3 | 37.5 | 36.2 | -12.1 | 0 | 0 | 0 | 120.1 | ||||
| 284 | A | 35.6 | Very low | 34.2 | Very low | 66 Ų | 66 | 135.9 Ų | 135.9 | 55% | 0.545 | 80% | 0.799 | S | S | . | * | trans | 16.5 | 139 | 153.5 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 285 | H | 31.6 | Very low | 33.9 | Very low | 198 Ų | 198 | 140.4 Ų | 140.4 | 92% | 0.917 | 81% | 0.807 | S | S | * | * | -171.5 | 144.6 | 121.7 | -89.6 | -50.9 | 0 | 0 | 0 | 113.2 | |||||
| 286 | R | 33.1 | Very low | 34.1 | Very low | 244 Ų | 244 | 139.1 Ų | 139.1 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | trans | -106.7 | 173 | 173.5 | -116.3 | -161.1 | -176.1 | 178.4 | 2.5 | 109.5 | ||||
| 287 | P | 48.3 | Very low | 34.4 | Very low | 111 Ų | 111 | 139 Ų | 139 | 72% | 0.721 | 80% | 0.802 | S | S | * | * | trans | -101.7 | -173.2 | -130.6 | 43.2 | -37.1 | 0 | 0 | 0 | 114.5 | ||||
| 288 | P | 46 | Very low | 34.6 | Very low | 127 Ų | 127 | 141.6 Ų | 141.6 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | trans | -125.7 | 147.6 | 157.1 | 35.4 | -20.3 | 0 | 0 | 0 | 115.5 | ||||
| 289 | C | 35.6 | Very low | 33.9 | Very low | 119 Ų | 119 | 139.4 Ų | 139.4 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -88 | 151.5 | 164.8 | -160.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 290 | C | 33.8 | Very low | 34.1 | Very low | 137 Ų | 137 | 139.8 Ų | 139.8 | 93% | 0.926 | 81% | 0.807 | S | S | * | * | trans | -157.3 | 148.3 | 158.6 | -101.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 291 | V | 34 | Very low | 34.1 | Very low | 129 Ų | 129 | 141.2 Ų | 141.2 | 78% | 0.782 | 81% | 0.807 | S | S | * | * | trans | -107.4 | 153.2 | -167.4 | 164.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 292 | L | 39.9 | Very low | 34 | Very low | 151 Ų | 151 | 140.7 Ų | 140.7 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | trans | 0.3 | 145.4 | 159.9 | -113.9 | 90.6 | 0 | 0 | 0 | 121.1 | ||||
| 293 | T | 30 | Very low | 33.9 | Very low | 144 Ų | 144 | 137.7 Ų | 137.7 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | -175.3 | 154.3 | 113.1 | 25.2 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 294 | N | 33.4 | Very low | 33 | Very low | 139 Ų | 139 | 141.7 Ų | 141.7 | 74% | 0.743 | 80% | 0.803 | S | S | * | * | trans | -77.7 | 156.6 | -175.6 | -178.7 | 7.8 | 0 | 0 | 0 | 114 | ||||
| 295 | K | 33.2 | Very low | 32.4 | Very low | 209 Ų | 209 | 147.3 Ų | 147.3 | 91% | 0.909 | 82% | 0.818 | S | S | * | * | trans | -151.6 | 136.3 | 148.2 | -104.3 | -177.7 | -173 | -179.8 | 0 | 112.9 | ||||
| 296 | S | 32.5 | Very low | 32.2 | Very low | 92 Ų | 92 | 145.4 Ų | 145.4 | 64% | 0.643 | 81% | 0.813 | S | S | * | * | trans | -99.4 | 152.6 | 175.1 | 148.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 297 | L | 33.9 | Very low | 31.8 | Very low | 165 Ų | 165 | 139.4 Ų | 139.4 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | -177.8 | 150.5 | 120 | -128.4 | 84.7 | 0 | 0 | 0 | 114.8 | |||||
| 298 | N | 31.5 | Very low | 30.7 | Very low | 163 Ų | 163 | 142 Ų | 142 | 87% | 0.872 | 81% | 0.811 | S | S | * | * | trans | -63 | 166.4 | 178.1 | -82.6 | -25 | 0 | 0 | 0 | 118 | ||||
| 299 | G | 28.7 | Very low | 29.8 | Very low | 67 Ų | 67 | 144.4 Ų | 144.4 | 69% | 0.691 | 81% | 0.811 | S | S | * | * | trans | 162.4 | 104 | 133.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 300 | Q | 31.2 | Very low | 29.3 | Very low | 193 Ų | 193 | 146.5 Ų | 146.5 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | trans | 63.9 | 160.3 | 138.2 | -65.4 | -171.1 | 15 | 0 | 0 | 121.3 | ||||
| 301 | T | 25.2 | Very low | 28.9 | Very low | 123 Ų | 123 | 149 Ų | 149 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | cis | -172.3 | 162 | -36.8 | -45.6 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 302 | A | 26.1 | Very low | 28.6 | Very low | 93 Ų | 93 | 150.1 Ų | 150.1 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | 86 | 141.7 | 165.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 303 | S | 25.8 | Very low | 27.9 | Very low | 103 Ų | 103 | 148.7 Ų | 148.7 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | cis | -172.3 | 150.8 | 4.8 | 38.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 304 | F | 23.5 | Very low | 27.8 | Very low | 202 Ų | 202 | 148.6 Ų | 148.6 | 89% | 0.886 | 78% | 0.783 | S | S | * | * | trans | 58.2 | 134.9 | 143.2 | -89.5 | -92.3 | 0 | 0 | 0 | 123.8 | ||||
| 305 | E | 24.1 | Very low | 27.7 | Very low | 184 Ų | 184 | 147.4 Ų | 147.4 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | trans | 124.7 | 138.3 | 135.4 | -92.2 | -176.4 | -177.4 | 0 | 0 | 120 | ||||
| 306 | I | 26 | Very low | 28.3 | Very low | 158 Ų | 158 | 143.2 Ų | 143.2 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | trans | -95.5 | 137.5 | -165.8 | -70.8 | 158.2 | 0 | 0 | 0 | 108.7 | ||||
| 307 | S | 24.9 | Very low | 28.2 | Very low | 119 Ų | 119 | 145 Ų | 145 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | -165.9 | 152.1 | 134.4 | -142.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 308 | Q | 25.9 | Very low | 27.9 | Very low | 166 Ų | 166 | 140.5 Ų | 140.5 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | trans | -77.8 | 165.3 | -175.6 | -64.4 | 169.4 | -19.8 | 0 | 0 | 113.6 | ||||
| 309 | Q | 25.6 | Very low | 28.1 | Very low | 176 Ų | 176 | 138.3 Ų | 138.3 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | trans | 124.2 | 117.1 | 134.7 | -90.5 | 176.2 | -15.7 | 0 | 0 | 118.8 | ||||
| 310 | H | 25.8 | Very low | 28.6 | Very low | 163 Ų | 163 | 140.2 Ų | 140.2 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | trans | 79.8 | 111.7 | 131 | -118.9 | 50.4 | 0 | 0 | 0 | 123.2 | ||||
| 311 | R | 25.4 | Very low | 29.1 | Very low | 189 Ų | 189 | 141.6 Ų | 141.6 | 71% | 0.713 | 79% | 0.79 | S | S | * | * | trans | 36.3 | 131.2 | 133.5 | -90.4 | -169.5 | -176.7 | -174.2 | 5.3 | 122.3 | ||||
| 312 | Q | 27.7 | Very low | 29.9 | Very low | 153 Ų | 153 | 142.3 Ų | 142.3 | 72% | 0.715 | 79% | 0.789 | S | S | * | * | trans | 63.5 | 137.9 | 141 | -70.2 | 172.6 | -37.7 | 0 | 0 | 116.9 | ||||
| 313 | N | 26.3 | Very low | 30.9 | Very low | 122 Ų | 122 | 142.4 Ų | 142.4 | 65% | 0.652 | 78% | 0.784 | S | S | * | * | cis | -162.1 | 163.4 | 19.1 | -119 | 11.6 | 0 | 0 | 0 | 109.1 | ||||
| 314 | D | 27.9 | Very low | 31.9 | Very low | 141 Ų | 141 | 143.1 Ų | 143.1 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | trans | 80.9 | 120.1 | 148.7 | -56.9 | -30.4 | 0 | 0 | 0 | 123.6 | ||||
| 315 | S | 30.8 | Very low | 33 | Very low | 114 Ų | 114 | 140.4 Ų | 140.4 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | trans | -52.9 | -172.2 | 171.8 | -51.5 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 316 | P | 46.4 | Very low | 34.1 | Very low | 121 Ų | 121 | 136 Ų | 136 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | cis | -131.7 | 170.2 | -39 | 29.1 | -9.7 | 0 | 0 | 0 | 113.3 | ||||
| 317 | S | 28.4 | Very low | 35.1 | Very low | 131 Ų | 131 | 134.6 Ų | 134.6 | 92% | 0.916 | 76% | 0.759 | S | S | * | * | trans | 158.9 | 127.1 | 134.7 | 178.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 318 | G | 28.3 | Very low | 36 | Very low | 70 Ų | 70 | 138 Ų | 138 | 72% | 0.722 | 75% | 0.754 | S | S | * | * | trans | 148.8 | 98.1 | 157.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 319 | S | 35 | Very low | 36.9 | Very low | 116 Ų | 116 | 132.6 Ų | 132.6 | 81% | 0.811 | 74% | 0.742 | S | S | * | * | trans | 78.3 | 90.4 | 145.8 | -153.3 | 0 | 0 | 0 | 0 | 119 | R321 | S319-R321 PolarHBondContact O-N 3.05Š| ||
| 320 | A | 41 | Very low | 38.1 | Very low | 108 Ų | 108 | 128.2 Ų | 128.2 | 89% | 0.893 | 73% | 0.731 | S | S | * | * | trans | -70.1 | 100.3 | 162.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 321 | R | 41.3 | Very low | 39.1 | Very low | 222 Ų | 222 | 126.2 Ų | 126.2 | 84% | 0.838 | 73% | 0.726 | S | S | * | * | trans | -147.9 | 56.5 | 162.6 | -157 | 177.7 | 176 | 178.8 | -2.1 | 111 | S319 | S319-R321 PolarHBondContact O-N 3.05Š| ||
| 322 | N | 40.9 | Very low | 40.2 | Very low | 137 Ų | 137 | 123.4 Ų | 123.4 | 73% | 0.733 | 72% | 0.724 | S | S | * | * | trans | -158.4 | 34.6 | 171.6 | -89.2 | -25 | 0 | 0 | 0 | 113.3 | ||||
| 323 | S | 47.3 | Very low | 41.3 | Very low | 96 Ų | 96 | 118.2 Ų | 118.2 | 67% | 0.671 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | -5.5 | -171.1 | -166.3 | 0 | 0 | 0 | 0 | 116.1 | ||
| 324 | V | 47.6 | Very low | 42.1 | Very low | 117 Ų | 117 | 121.4 Ų | 121.4 | 71% | 0.709 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | -26.2 | -173.1 | -177.8 | 0 | 0 | 0 | 0 | 112.7 | ||
| 325 | L | 45.4 | Very low | 42.9 | Very low | 146 Ų | 146 | 120 Ų | 120 | 76% | 0.764 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -22.8 | 179.4 | -79.4 | 158.6 | 0 | 0 | 0 | 113.5 | ||
| 326 | C | 48.8 | Very low | 43.4 | Very low | 91 Ų | 91 | 119.7 Ų | 119.7 | 62% | 0.615 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -80.3 | -13.7 | -177.5 | -67.6 | 0 | 0 | 0 | 0 | 114.7 | S330 | C326-S330 PolarHBondContact O-OG 2.79Å |
| 327 | L | 45.9 | Very low | 43.1 | Very low | 129 Ų | 129 | 123.9 Ų | 123.9 | 68% | 0.675 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -78 | -30.3 | -179.5 | -78.4 | 161.5 | 0 | 0 | 0 | 112.7 | ||
| 328 | W | 44.2 | Very low | 43.4 | Very low | 191 Ų | 191 | 121.1 Ų | 121.1 | 72% | 0.723 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -78.7 | -28.2 | -179 | -72.9 | 90.7 | 0 | 0 | 0 | 113.5 | ||
| 329 | G | 45.7 | Very low | 43.6 | Very low | 51 Ų | 51 | 126.5 Ų | 126.5 | 53% | 0.526 | 70% | 0.697 | S | S | . | * | H | α-helix | trans | -69.7 | -30.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 330 | S | 50.5 | Low | 43.8 | Very low | 84 Ų | 84 | 126.4 Ų | 126.4 | 59% | 0.587 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -78.7 | -27.1 | -175.7 | -59.3 | 0 | 0 | 0 | 0 | 113.3 | C326 | C326-S330 PolarHBondContact O-OG 2.79Å |
| 331 | L | 46.1 | Very low | 43.5 | Very low | 122 Ų | 122 | 127.9 Ų | 127.9 | 64% | 0.639 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -75.7 | -39.3 | -179.6 | -153.8 | 85.8 | 0 | 0 | 0 | 112.1 | A333 Y334 | L331-A333 VanDerWaalsContact C-N 3.34Å; L331-Y334 PolarHBondContact O-N 2.62Å |
| 332 | L | 49.7 | Very low | 43 | Very low | 130 Ų | 130 | 126.8 Ų | 126.8 | 68% | 0.681 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -71 | -29.3 | 178.1 | -70.2 | 170.7 | 0 | 0 | 0 | 112.4 | Y334 S336 | L332-Y334 VanDerWaalsContact C-N 3.29Å; L332-Y334 PolarHBondContact O-N 3.2Å; L332-S336 PolarHBondContact O-OG 3.44Å |
| 333 | A | 49.1 | Very low | 42.6 | Very low | 44 Ų | 44 | 127.5 Ų | 127.5 | 36% | 0.364 | 70% | 0.696 | S | S | . | * | H | α-helix | trans | -72.8 | -20.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L331 | L331-A333 VanDerWaalsContact C-N 3.34Å |
| 334 | Y | 44.6 | Very low | 42 | Very low | 188 Ų | 188 | 128 Ų | 128 | 74% | 0.737 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -83.1 | -35.3 | 179 | -168.3 | -98.8 | 0 | 0 | 0 | 112.2 | L331 L332 R337 | L331-Y334 PolarHBondContact O-N 2.62Å; L332-Y334 VanDerWaalsContact C-N 3.29Å; L332-Y334 PolarHBondContact O-N 3.2Å; Y334-R337 PolarHBondContact O-N 2.86Å |
| 335 | V | 44.7 | Very low | 41.2 | Very low | 111 Ų | 111 | 130.1 Ų | 130.1 | 67% | 0.673 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -73.3 | -30.2 | 179.5 | 178.4 | 0 | 0 | 0 | 0 | 112.2 | R337 | V335-R337 PolarHBondContact O-N 2.82Å |
| 336 | S | 39.6 | Very low | 40.4 | Very low | 109 Ų | 109 | 127.5 Ų | 127.5 | 76% | 0.762 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | -0.1 | 176.9 | -54.3 | 0 | 0 | 0 | 0 | 114.8 | L332 | L332-S336 PolarHBondContact O-OG 3.44Š|
| 337 | R | 41.5 | Very low | 39.4 | Very low | 208 Ų | 208 | 132.5 Ų | 132.5 | 79% | 0.785 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.4 | 8.3 | -174.9 | -121.3 | -177.9 | -77.1 | 159 | -5.8 | 114.8 | Y334 V335 | Y334-R337 PolarHBondContact O-N 2.86Å; V335-R337 PolarHBondContact O-N 2.82Å |
| 338 | A | 34.7 | Very low | 38.6 | Very low | 74 Ų | 74 | 131.6 Ų | 131.6 | 61% | 0.612 | 72% | 0.723 | S | S | * | * | trans | -99.6 | 95.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 339 | H | 32.8 | Very low | 38.1 | Very low | 183 Ų | 183 | 127.8 Ų | 127.8 | 85% | 0.847 | 72% | 0.723 | S | S | * | * | trans | 176.2 | 154.8 | 143.1 | -98.3 | -58.5 | 0 | 0 | 0 | 111.3 | ||||
| 340 | P | 38.7 | Very low | 37.3 | Very low | 114 Ų | 114 | 136.9 Ų | 136.9 | 74% | 0.74 | 74% | 0.742 | S | S | * | * | -117 | 168.6 | -64.9 | 29.3 | -10.5 | 0 | 0 | 0 | 112.4 | |||||
| 341 | V | 34.3 | Very low | 36.1 | Very low | 138 Ų | 138 | 137.4 Ų | 137.4 | 84% | 0.836 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 131.1 | 178.8 | 173.7 | 0 | 0 | 0 | 0 | 111.6 | ||
| 342 | K | 30.8 | Very low | 35.3 | Very low | 200 Ų | 200 | 143.3 Ų | 143.3 | 87% | 0.87 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -101.3 | 127 | 164.6 | -94.3 | -178.1 | 174.2 | 179.5 | 0 | 109.3 | ||
| 343 | N | 31.9 | Very low | 34.4 | Very low | 151 Ų | 151 | 142.6 Ų | 142.6 | 81% | 0.807 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 144.6 | 162.7 | -89 | -19.1 | 0 | 0 | 0 | 110.1 | ||
| 344 | P | 35.6 | Very low | 33.2 | Very low | 106 Ų | 106 | 146.5 Ų | 146.5 | 69% | 0.688 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 132.6 | 161.4 | 34.2 | -25.1 | 0 | 0 | 0 | 109.4 | ||
| 345 | D | 30.3 | Very low | 32.4 | Very low | 162 Ų | 162 | 142.1 Ų | 142.1 | 87% | 0.866 | 79% | 0.789 | S | S | * | * | trans | 176.6 | 136.5 | 131.8 | -82.3 | -21.6 | 0 | 0 | 0 | 111.2 | ||||
| 346 | A | 29.3 | Very low | 31.6 | Very low | 92 Ų | 92 | 142.1 Ų | 142.1 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | trans | 76.1 | 115.8 | 157.6 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 347 | E | 27.7 | Very low | 31.1 | Very low | 195 Ų | 195 | 146 Ų | 146 | 91% | 0.911 | 80% | 0.798 | S | S | * | * | trans | 78.4 | 115 | 141.1 | -68.5 | -177.7 | 153.2 | 0 | 0 | 122.3 | ||||
| 348 | S | 28.3 | Very low | 30.3 | Very low | 110 Ų | 110 | 143.1 Ų | 143.1 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | -80 | 157.2 | 161.6 | 72.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 349 | P | 34.3 | Very low | 29.8 | Very low | 112 Ų | 112 | 145.8 Ų | 145.8 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | -148.4 | 149.5 | 86.4 | 33 | -13.4 | 0 | 0 | 0 | 117.6 | |||||
| 350 | R | 28.1 | Very low | 29.6 | Very low | 241 Ų | 241 | 142.4 Ų | 142.4 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | trans | 63.1 | 102.7 | 145.8 | -67.6 | 179.3 | -176.5 | 175.2 | 2.1 | 119.8 | ||||
| 351 | A | 25.3 | Very low | 29 | Very low | 95 Ų | 95 | 140.3 Ų | 140.3 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | trans | -99.2 | 132 | 155.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 352 | W | 29.6 | Very low | 28.7 | Very low | 247 Ų | 247 | 140.4 Ų | 140.4 | 94% | 0.936 | 81% | 0.812 | S | S | * | * | trans | -119.6 | 153.2 | 155.9 | -88.3 | 40 | 0 | 0 | 0 | 108.4 | ||||
| 353 | P | 31.3 | Very low | 28.7 | Very low | 115 Ų | 115 | 139.1 Ų | 139.1 | 75% | 0.747 | 81% | 0.814 | S | S | * | * | trans | -93.5 | 150.7 | -142.2 | 34.2 | -34 | 0 | 0 | 0 | 114.9 | S355 | P353-S355 PolarHBondContact O-N 3.11Š| ||
| 354 | S | 25 | Very low | 29.2 | Very low | 125 Ų | 125 | 136.4 Ų | 136.4 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | trans | -69.5 | 112.3 | 165.9 | -49.4 | 0 | 0 | 0 | 0 | 110 | S356 | S354-S356 PolarHBondContact O-N 2.82Š| ||
| 355 | S | 26.7 | Very low | 28.8 | Very low | 96 Ų | 96 | 138.4 Ų | 138.4 | 67% | 0.671 | 81% | 0.81 | S | S | * | * | trans | -76.1 | 111.7 | 164 | 45.2 | 0 | 0 | 0 | 0 | 109.4 | P353 F357 | P353-S355 PolarHBondContact O-N 3.11Å; S355-F357 PolarHBondContact O-N 2.84Å | ||
| 356 | S | 27.6 | Very low | 28.7 | Very low | 111 Ų | 111 | 138.2 Ų | 138.2 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | trans | -68 | 112.3 | 160.3 | 44 | 0 | 0 | 0 | 0 | 109.1 | S354 | S354-S356 PolarHBondContact O-N 2.82Š| ||
| 357 | F | 29.1 | Very low | 28.8 | Very low | 191 Ų | 191 | 138.7 Ų | 138.7 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | trans | -98.9 | 99.4 | 158.5 | -86.9 | -79.5 | 0 | 0 | 0 | 108.3 | S355 | S355-F357 PolarHBondContact O-N 2.84Š| ||
| 358 | D | 25.5 | Very low | 29 | Very low | 148 Ų | 148 | 138.4 Ų | 138.4 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | trans | -59.9 | 131.6 | 152.4 | -93.1 | -38.4 | 0 | 0 | 0 | 108.6 | ||||
| 359 | C | 24.9 | Very low | 29 | Very low | 130 Ų | 130 | 141 Ų | 141 | 88% | 0.878 | 81% | 0.806 | S | S | * | * | trans | -126.5 | 95.6 | 158.6 | -154 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 360 | S | 27.5 | Very low | 28.5 | Very low | 111 Ų | 111 | 143.9 Ų | 143.9 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | trans | -80.3 | 131.1 | 166.5 | -74 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 361 | G | 26 | Very low | 28.4 | Very low | 71 Ų | 71 | 138.8 Ų | 138.8 | 73% | 0.732 | 81% | 0.809 | S | S | * | * | trans | 99.4 | 105 | 147.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 362 | C | 28.1 | Very low | 28.4 | Very low | 139 Ų | 139 | 140.1 Ų | 140.1 | 94% | 0.939 | 81% | 0.807 | S | S | * | * | -160.7 | 117.2 | 127.7 | -96.8 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 363 | L | 31.8 | Very low | 28.3 | Very low | 173 Ų | 173 | 136.4 Ų | 136.4 | 91% | 0.906 | 81% | 0.805 | S | S | * | * | trans | -77.4 | 172.2 | 174.5 | -112.4 | 117 | 0 | 0 | 0 | 111.3 | ||||
| 364 | P | 42.5 | Very low | 27.9 | Very low | 95 Ų | 95 | 141.9 Ų | 141.9 | 62% | 0.617 | 81% | 0.811 | S | S | * | * | trans | -91.2 | 152.4 | -153.1 | 37.7 | -35.6 | 0 | 0 | 0 | 113.7 | ||||
| 365 | N | 27.1 | Very low | 28 | Very low | 148 Ų | 148 | 142.5 Ų | 142.5 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | trans | 170.2 | 140.7 | 131.2 | -89.9 | -29.4 | 0 | 0 | 0 | 114 | ||||
| 366 | L | 26.9 | Very low | 28 | Very low | 158 Ų | 158 | 144.3 Ų | 144.3 | 83% | 0.827 | 81% | 0.811 | S | S | * | * | trans | 81.1 | 153.2 | 155.8 | -69.4 | 138 | 0 | 0 | 0 | 120.1 | ||||
| 367 | P | 30.9 | Very low | 28 | Very low | 102 Ų | 102 | 143.8 Ų | 143.8 | 66% | 0.662 | 81% | 0.807 | S | S | * | * | cis | -128.5 | 173.9 | -32.6 | 32.1 | -13.6 | 0 | 0 | 0 | 113.3 | L369 | P367-L369 PolarHBondContact O-N 3.32Š| ||
| 368 | H | 33.2 | Very low | 27.9 | Very low | 188 Ų | 188 | 139 Ų | 139 | 87% | 0.87 | 80% | 0.804 | S | S | * | * | trans | -44.6 | 115.8 | 168.7 | -130.6 | -91.5 | 0 | 0 | 0 | 112.2 | ||||
| 369 | L | 26.8 | Very low | 28.1 | Very low | 166 Ų | 166 | 139.9 Ų | 139.9 | 87% | 0.869 | 81% | 0.807 | S | S | * | * | trans | -102.3 | 104.4 | 168.3 | -84.4 | 163.2 | 0 | 0 | 0 | 108.9 | P367 C371 | P367-L369 PolarHBondContact O-N 3.32Å; L369-C371 PolarHBondContact O-N 3.27Å | ||
| 370 | Q | 25.6 | Very low | 28.5 | Very low | 172 Ų | 172 | 139 Ų | 139 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -79.1 | 106 | 172.2 | -156.3 | 170.3 | 12.5 | 0 | 0 | 107.4 | V372 | Q370-V372 PolarHBondContact O-N 3.41Å; Q370-V372 VanDerWaalsContact O-N 3.16Å | ||
| 371 | C | 25.3 | Very low | 28.5 | Very low | 133 Ų | 133 | 142.3 Ų | 142.3 | 90% | 0.899 | 80% | 0.803 | S | S | * | * | trans | -76.7 | 100.6 | 173.9 | -106.5 | 0 | 0 | 0 | 0 | 109.1 | L369 | L369-C371 PolarHBondContact O-N 3.27Š| ||
| 372 | V | 24.8 | Very low | 28.7 | Very low | 124 Ų | 124 | 147.4 Ų | 147.4 | 75% | 0.752 | 81% | 0.812 | S | S | * | * | trans | -75.2 | 118.4 | 167.1 | 173.5 | 0 | 0 | 0 | 0 | 108.2 | Q370 R374 | Q370-V372 PolarHBondContact O-N 3.41Å; Q370-V372 VanDerWaalsContact O-N 3.16Å; V372-R374 PolarHBondContact O-N 3.41Å | ||
| 373 | L | 26.9 | Very low | 28.6 | Very low | 168 Ų | 168 | 143.9 Ų | 143.9 | 88% | 0.88 | 80% | 0.8 | S | S | * | * | trans | -62.1 | 110.9 | 171.2 | -148.8 | 83.7 | 0 | 0 | 0 | 108.6 | ||||
| 374 | R | 24.5 | Very low | 29.1 | Very low | 231 Ų | 231 | 141.7 Ų | 141.7 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | trans | -94.1 | 101.2 | 174.8 | -159 | 177.4 | -160.1 | -179.8 | 5 | 109.1 | V372 | V372-R374 PolarHBondContact O-N 3.41Š| ||
| 375 | N | 25.9 | Very low | 28.5 | Very low | 138 Ų | 138 | 144.5 Ų | 144.5 | 74% | 0.738 | 81% | 0.811 | S | S | * | * | trans | -69.9 | 121 | 174.5 | -155.3 | -4.8 | 0 | 0 | 0 | 109.5 | ||||
| 376 | T | 27.8 | Very low | 28.6 | Very low | 133 Ų | 133 | 146.9 Ų | 146.9 | 82% | 0.816 | 81% | 0.814 | S | S | * | * | trans | -120.1 | 93.8 | 169.4 | 44.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 377 | S | 27 | Very low | 29 | Very low | 100 Ų | 100 | 144.2 Ų | 144.2 | 70% | 0.699 | 81% | 0.807 | S | S | * | * | trans | -139.1 | 119.2 | 157.4 | 50.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 378 | A | 27.9 | Very low | 28.8 | Very low | 92 Ų | 92 | 147.5 Ų | 147.5 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | trans | 170.2 | 116.6 | 147.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 379 | L | 27.9 | Very low | 29 | Very low | 165 Ų | 165 | 143.8 Ų | 143.8 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | 168.7 | 162.9 | 114.2 | -111.5 | 107.1 | 0 | 0 | 0 | 110.9 | |||||
| 380 | P | 34.6 | Very low | 29 | Very low | 113 Ų | 113 | 144 Ų | 144 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | -125.9 | 174.8 | -102.3 | 30.9 | -8.2 | 0 | 0 | 0 | 115.4 | |||||
| 381 | H | 27.9 | Very low | 29 | Very low | 180 Ų | 180 | 141.3 Ų | 141.3 | 83% | 0.833 | 80% | 0.802 | S | S | * | * | trans | -43.8 | 143.6 | 171.3 | -98.7 | -80.2 | 0 | 0 | 0 | 117.2 | ||||
| 382 | L | 29.3 | Very low | 29 | Very low | 177 Ų | 177 | 140.3 Ų | 140.3 | 93% | 0.927 | 79% | 0.792 | S | S | * | * | trans | -156.4 | 124.7 | 134.9 | -124.9 | 96.6 | 0 | 0 | 0 | 109.2 | ||||
| 383 | G | 25.2 | Very low | 29 | Very low | 66 Ų | 66 | 146.4 Ų | 146.4 | 68% | 0.68 | 80% | 0.801 | S | S | * | * | trans | -88.6 | -144.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 384 | P | 42.8 | Very low | 28.9 | Very low | 126 Ų | 126 | 145.3 Ų | 145.3 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | cis | -134.9 | 155.3 | -39.3 | 37.7 | -22.6 | 0 | 0 | 0 | 113.1 | ||||
| 385 | V | 29.6 | Very low | 28.8 | Very low | 154 Ų | 154 | 139 Ų | 139 | 93% | 0.933 | 79% | 0.788 | S | S | * | * | trans | -147.2 | 144.4 | 157.1 | -176 | 0 | 0 | 0 | 0 | 112 | ||||
| 386 | K | 30 | Very low | 28.8 | Very low | 199 Ų | 199 | 138.1 Ų | 138.1 | 87% | 0.865 | 79% | 0.792 | S | S | * | * | trans | -74.2 | 179 | -163.9 | -96.1 | -176.2 | 175.7 | 176.3 | 0 | 117.8 | ||||
| 387 | P | 34.2 | Very low | 28.6 | Very low | 102 Ų | 102 | 135 Ų | 135 | 66% | 0.662 | 79% | 0.786 | S | S | * | * | trans | -118.7 | -171.5 | -141.6 | 45.9 | -36.5 | 0 | 0 | 0 | 116.4 | ||||
| 388 | H | 28.5 | Very low | 28.4 | Very low | 170 Ų | 170 | 138.2 Ų | 138.2 | 79% | 0.787 | 80% | 0.795 | S | S | * | * | trans | 106.9 | 155.8 | 154.3 | -81.1 | -11.5 | 0 | 0 | 0 | 118.8 | ||||
| 389 | P | 36.3 | Very low | 28.3 | Very low | 110 Ų | 110 | 142.8 Ų | 142.8 | 71% | 0.714 | 80% | 0.803 | S | S | * | * | cis | -136 | 172.4 | -19.1 | 30 | -8.1 | 0 | 0 | 0 | 116.1 | ||||
| 390 | Q | 26.4 | Very low | 28.1 | Very low | 171 Ų | 171 | 138.7 Ų | 138.7 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | trans | -29.1 | 148.2 | 163.1 | -63 | 163.4 | -24.4 | 0 | 0 | 117.7 | ||||
| 391 | S | 26 | Very low | 27.6 | Very low | 115 Ų | 115 | 138.3 Ų | 138.3 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -134.9 | 111.8 | 139.1 | 70 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 392 | T | 24.5 | Very low | 27.5 | Very low | 113 Ų | 113 | 134.4 Ų | 134.4 | 69% | 0.693 | 81% | 0.805 | S | S | * | * | trans | -74.2 | 129.8 | 162.6 | 40.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 393 | W | 26 | Very low | 27.4 | Very low | 251 Ų | 251 | 129.9 Ų | 129.9 | 95% | 0.951 | 80% | 0.801 | S | S | * | * | trans | -128.7 | 120.2 | 152.1 | -92.9 | 70.6 | 0 | 0 | 0 | 109.4 | ||||
| 394 | L | 24.1 | Very low | 27.5 | Very low | 145 Ų | 145 | 131.7 Ų | 131.7 | 76% | 0.759 | 80% | 0.804 | S | S | * | * | trans | -105.4 | 147.4 | 178.8 | -104.1 | 165.6 | 0 | 0 | 0 | 107.8 | ||||
| 395 | S | 23.9 | Very low | 26.7 | Very low | 100 Ų | 100 | 130.4 Ų | 130.4 | 70% | 0.699 | 80% | 0.798 | S | S | * | * | trans | 72.7 | 145.1 | 147.5 | -54.5 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 396 | S | 24.9 | Very low | 26.6 | Very low | 119 Ų | 119 | 130.5 Ų | 130.5 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | cis | -170.8 | 161 | -1.8 | -75.8 | 0 | 0 | 0 | 0 | 102.7 | ||||
| 397 | G | 23.5 | Very low | 26.4 | Very low | 67 Ų | 67 | 127.2 Ų | 127.2 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | cis | 158.9 | -173 | 21.9 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 398 | L | 24.1 | Very low | 26.1 | Very low | 168 Ų | 168 | 127.2 Ų | 127.2 | 88% | 0.88 | 79% | 0.786 | S | S | * | * | trans | 87.7 | 102.6 | 169.1 | -93 | 89.8 | 0 | 0 | 0 | 120.6 | ||||
| 399 | M | 24.6 | Very low | 26 | Very low | 188 Ų | 188 | 127.7 Ų | 127.7 | 93% | 0.926 | 79% | 0.788 | S | S | * | * | 49.2 | 129.1 | 116.7 | -85.4 | -156.1 | 146.7 | 0 | 0 | 121.2 | |||||
| 400 | G | 24.2 | Very low | 25.8 | Very low | 78 Ų | 78 | 132.1 Ų | 132.1 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | 162.7 | 100.2 | 146 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 401 | A | 24.1 | Very low | 25.8 | Very low | 105 Ų | 105 | 127.6 Ų | 127.6 | 87% | 0.868 | 80% | 0.796 | S | S | * | * | trans | -44 | 149.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 402 | A | 26.5 | Very low | 25.9 | Very low | 99 Ų | 99 | 126.7 Ų | 126.7 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | 179.3 | 126.9 | 117 | 0 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 403 | G | 26.8 | Very low | 26.3 | Very low | 81 Ų | 81 | 130.6 Ų | 130.6 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | trans | -72.7 | 153.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 404 | S | 26.2 | Very low | 26.5 | Very low | 105 Ų | 105 | 124.5 Ų | 124.5 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | trans | -145.5 | 94.6 | 155.6 | 58.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 405 | S | 25.5 | Very low | 26.8 | Very low | 99 Ų | 99 | 123.6 Ų | 123.6 | 69% | 0.692 | 80% | 0.797 | S | S | * | * | trans | -55.2 | 132.2 | 153.5 | 144.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 406 | L | 29.3 | Very low | 27.1 | Very low | 156 Ų | 156 | 124.8 Ų | 124.8 | 82% | 0.817 | 80% | 0.8 | S | S | * | * | trans | -133.2 | 84.7 | 164.8 | -105.6 | 152 | 0 | 0 | 0 | 107.3 | S408 | L406-S408 PolarHBondContact O-N 3.4Š| ||
| 407 | D | 25.1 | Very low | 27.3 | Very low | 129 Ų | 129 | 126.5 Ų | 126.5 | 69% | 0.69 | 80% | 0.799 | S | S | * | * | trans | -50.9 | 122.8 | 158.1 | -74.6 | -51.4 | 0 | 0 | 0 | 109.6 | ||||
| 408 | S | 28.1 | Very low | 27.6 | Very low | 102 Ų | 102 | 130.9 Ų | 130.9 | 71% | 0.713 | 81% | 0.806 | S | S | * | * | trans | -119.1 | 99 | 159.8 | 48 | 0 | 0 | 0 | 0 | 108.7 | L406 F410 | L406-S408 PolarHBondContact O-N 3.4Å; S408-F410 PolarHBondContact O-N 3.18Å | ||
| 409 | H | 26.4 | Very low | 27.9 | Very low | 181 Ų | 181 | 130.2 Ų | 130.2 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | trans | -52.6 | 115.9 | 170.4 | -78.4 | -91.5 | 0 | 0 | 0 | 111.2 | ||||
| 410 | F | 31.7 | Very low | 28.3 | Very low | 202 Ų | 202 | 126.6 Ų | 126.6 | 89% | 0.886 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 125.5 | 153.7 | -88.4 | -86.2 | 0 | 0 | 0 | 108.6 | S408 A412 | S408-F410 PolarHBondContact O-N 3.18Å; F410-A412 PolarHBondContact O-N 3.24Å |
| 411 | G | 26.8 | Very low | 28.6 | Very low | 77 Ų | 77 | 129 Ų | 129 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 129.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 412 | A | 28.6 | Very low | 29 | Very low | 95 Ų | 95 | 134.2 Ų | 134.2 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 134.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | F410 | F410-A412 PolarHBondContact O-N 3.24Š|
| 413 | F | 32.3 | Very low | 29.3 | Very low | 195 Ų | 195 | 135.8 Ų | 135.8 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | trans | -128.8 | 149.3 | 150 | -76.7 | -71.8 | 0 | 0 | 0 | 107.3 | T415 | F413-T415 PolarHBondContact O-N 3.22Š| ||
| 414 | P | 30 | Very low | 29.6 | Very low | 123 Ų | 123 | 140 Ų | 140 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | trans | -70.8 | 126.6 | -153.2 | 28.3 | -33.7 | 0 | 0 | 0 | 111.8 | ||||
| 415 | T | 29.4 | Very low | 30 | Very low | 127 Ų | 127 | 139.2 Ų | 139.2 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | trans | -74.6 | 120.9 | 164.1 | 25.9 | 0 | 0 | 0 | 0 | 109 | F413 D417 | F413-T415 PolarHBondContact O-N 3.22Å; T415-D417 PolarHBondContact O-N 3.14Å | ||
| 416 | V | 31.8 | Very low | 30.3 | Very low | 125 Ų | 125 | 142.5 Ų | 142.5 | 76% | 0.758 | 80% | 0.802 | S | S | * | * | trans | -75.7 | 114.1 | 164.1 | 174.7 | 0 | 0 | 0 | 0 | 106.7 | L418 | V416-L418 PolarHBondContact O-N 2.64Š| ||
| 417 | D | 27.4 | Very low | 30.4 | Very low | 154 Ų | 154 | 143.2 Ų | 143.2 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | trans | -65.4 | 102.9 | 174.4 | -78 | -35.3 | 0 | 0 | 0 | 109.9 | T415 | T415-D417 PolarHBondContact O-N 3.14Š| ||
| 418 | L | 30.6 | Very low | 30.6 | Very low | 159 Ų | 159 | 144.8 Ų | 144.8 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | trans | -95.5 | 98.2 | 163.2 | -80.5 | 164.6 | 0 | 0 | 0 | 108.2 | V416 | V416-L418 PolarHBondContact O-N 2.64Š| ||
| 419 | L | 31.3 | Very low | 31.3 | Very low | 155 Ų | 155 | 146 Ų | 146 | 81% | 0.812 | 82% | 0.817 | S | S | * | * | trans | -54.2 | 134.4 | 170.8 | -157.2 | 81.2 | 0 | 0 | 0 | 109.9 | C421 | L419-C421 PolarHBondContact O-N 2.79Š| ||
| 420 | P | 32.3 | Very low | 31.9 | Very low | 111 Ų | 111 | 144.7 Ų | 144.7 | 72% | 0.721 | 85% | 0.852 | S | S | * | * | trans | -68.4 | 121.5 | 174.5 | 23.9 | -29.5 | 0 | 0 | 0 | 110.3 | R422 | P420-R422 PolarHBondContact O-N 3.13Š| ||
| 421 | C | 30.5 | Very low | 31.9 | Very low | 129 Ų | 129 | 141.9 Ų | 141.9 | 87% | 0.872 | 85% | 0.85 | S | S | * | * | trans | -59.1 | 107 | 171.5 | -68.3 | 0 | 0 | 0 | 0 | 110.1 | L419 | L419-C421 PolarHBondContact O-N 2.79Š| ||
| 422 | R | 32.5 | Very low | 32.2 | Very low | 215 Ų | 215 | 145.3 Ų | 145.3 | 81% | 0.811 | 85% | 0.853 | S | S | * | * | trans | -73.2 | 131.3 | 159 | -79.7 | -176.1 | 174.6 | 178.6 | -0.5 | 108.7 | P420 E424 | P420-R422 PolarHBondContact O-N 3.13Å; R422-E424 PolarHBondContact O-N 3.36Å | ||
| 423 | P | 33 | Very low | 32.4 | Very low | 131 Ų | 131 | 148.1 Ų | 148.1 | 85% | 0.851 | 86% | 0.857 | S | S | * | * | trans | -81.9 | 102.4 | 159.6 | 11 | 5.2 | 0 | 0 | 0 | 108.3 | ||||
| 424 | E | 31.8 | Very low | 32.4 | Very low | 169 Ų | 169 | 145.3 Ų | 145.3 | 79% | 0.79 | 86% | 0.857 | S | S | * | * | trans | -84.8 | 120 | 160 | -96.6 | -177.8 | 169.7 | 0 | 0 | 109.9 | R422 | R422-E424 PolarHBondContact O-N 3.36Š| ||
| 425 | A | 36.4 | Very low | 32.5 | Very low | 89 Ų | 89 | 146.7 Ų | 146.7 | 74% | 0.736 | 86% | 0.861 | S | S | * | * | trans | 54.2 | 121.2 | 145.5 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 426 | L | 30 | Very low | 32.8 | Very low | 168 Ų | 168 | 148 Ų | 148 | 88% | 0.88 | 87% | 0.866 | S | S | * | * | trans | -142.8 | 87.4 | 137.8 | -89.2 | 172.9 | 0 | 0 | 0 | 109.6 | ||||
| 427 | L | 32.1 | Very low | 32.8 | Very low | 172 Ų | 172 | 149.6 Ų | 149.6 | 90% | 0.901 | 87% | 0.874 | S | S | * | * | trans | -112.9 | 109.8 | 154.9 | -90.7 | 165.7 | 0 | 0 | 0 | 106.8 | ||||
| 428 | M | 30.1 | Very low | 33.2 | Very low | 162 Ų | 162 | 149.3 Ų | 149.3 | 80% | 0.798 | 88% | 0.878 | S | S | * | * | trans | -84.4 | 149 | 164 | -81.9 | -69.5 | -134.7 | 0 | 0 | 109.2 | ||||
| 429 | P | 42.5 | Very low | 33.5 | Very low | 128 Ų | 128 | 148.5 Ų | 148.5 | 83% | 0.831 | 88% | 0.881 | S | S | * | * | trans | -77.8 | 137.4 | -174.8 | 32.2 | -32.2 | 0 | 0 | 0 | 111 | ||||
| 430 | G | 39 | Very low | 33.7 | Very low | 153 Ų | 153 | 147.9 Ų | 147.9 | 100% | 1.577 | 89% | 0.888 | S | S | * | * | trans | -137.9 | 0 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109 |
Retrieved 430 of 430 residues in 61.7 ms
(Link to these results)