| 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 | 45.2 | Very low | 50 | Low | 220 Ų | 220 | 135.9 Ų | 135.9 | 100% | 1.084 | 68% | 0.675 | S | S | * | * | 0 | 3.4 | 0 | -72.5 | -178.8 | 171.7 | 0 | 0 | 115.7 | |||||
| 2 | R | 52 | Low | 49.8 | Very low | 233 Ų | 233 | 143 Ų | 143 | 88% | 0.879 | 69% | 0.688 | S | S | * | * | trans | -76.5 | -27.2 | 179.8 | -93.9 | 179.2 | -173.2 | 163.5 | 2.9 | 115.3 | I4 R5 | R2-I4 VanDerWaalsContact C-N 3.34Å; R2-I4 PolarHBondContact O-N 3.32Å; R2-R5 PolarHBondContact O-N 3.25Å | ||
| 3 | V | 50.3 | Low | 49.6 | Very low | 110 Ų | 110 | 144.2 Ų | 144.2 | 67% | 0.667 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -68.9 | -30 | -173.9 | -173 | 0 | 0 | 0 | 0 | 112.7 | R5 S6 | V3-R5 VanDerWaalsContact C-N 3.31Å; V3-R5 PolarHBondContact O-N 3.4Å; V3-S6 PolarHBondContact O-N 3.34Å; V3-S6 PolarHBondContact O-OG 3.41Å |
| 4 | I | 53.1 | Low | 49.6 | Very low | 137 Ų | 137 | 142.3 Ų | 142.3 | 70% | 0.703 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -71 | -29.1 | -179 | -62.5 | 167.7 | 0 | 0 | 0 | 111.4 | R2 G8 | R2-I4 VanDerWaalsContact C-N 3.34Å; R2-I4 PolarHBondContact O-N 3.32Å; I4-G8 PolarHBondContact O-N 3.44Å |
| 5 | R | 50.6 | Low | 49.2 | Very low | 201 Ų | 201 | 140.1 Ų | 140.1 | 76% | 0.758 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -73.2 | -29.8 | 178.1 | -72.4 | -174.7 | -178.5 | 178.4 | 0.7 | 112.7 | R2 V3 Q9 | R2-R5 PolarHBondContact O-N 3.25Å; V3-R5 VanDerWaalsContact C-N 3.31Å; V3-R5 PolarHBondContact O-N 3.4Å; R5-Q9 PolarHBondContact O-N 3.38Å; R5-Q9 VanDerWaalsContact O-N 3.15Å |
| 6 | S | 52.6 | Low | 48.8 | Very low | 56 Ų | 56 | 145.8 Ų | 145.8 | 39% | 0.392 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -73.5 | -37.1 | 179.4 | 68.4 | 0 | 0 | 0 | 0 | 112.3 | V3 Q9 L10 | V3-S6 PolarHBondContact O-N 3.34Å; V3-S6 PolarHBondContact O-OG 3.41Å; S6-Q9 PolarHBondContact O-N 3.27Å; S6-L10 WeakPolarHBondContact O-CB 3.48Å; S6-L10 PolarHBondContact O-N 2.88Å |
| 7 | L | 48.6 | Very low | 48.5 | Very low | 107 Ų | 107 | 145.6 Ų | 145.6 | 56% | 0.56 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -61.8 | -43.3 | 173.8 | -95 | 150.7 | 0 | 0 | 0 | 112.2 | Q9 L10 L11 | L7-Q9 VanDerWaalsContact C-N 3.32Å; L7-Q9 PolarHBondContact O-N 2.94Å; L7-L10 PolarHBondContact O-N 3.29Å; L7-L11 WeakPolarHBondContact O-CB 3.43Å; L7-L11 PolarHBondContact O-N 2.93Å |
| 8 | G | 53.7 | Low | 48.4 | Very low | 39 Ų | 39 | 141.7 Ų | 141.7 | 40% | 0.402 | 70% | 0.702 | S | S | . | * | H | α-helix | trans | -67.1 | -29.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | I4 R12 | I4-G8 PolarHBondContact O-N 3.44Å; G8-R12 PolarHBondContact O-N 3.35Å |
| 9 | Q | 47.1 | Very low | 48.6 | Very low | 132 Ų | 132 | 135.7 Ų | 135.7 | 62% | 0.617 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -79.1 | -38.1 | 175.1 | -78.7 | -178.2 | -43.3 | 0 | 0 | 112.6 | R5 S6 L7 L11 R12 Q13 | R5-Q9 PolarHBondContact O-N 3.38Å; R5-Q9 VanDerWaalsContact O-N 3.15Å; S6-Q9 PolarHBondContact O-N 3.27Å; L7-Q9 VanDerWaalsContact C-N 3.32Å; L7-Q9 PolarHBondContact O-N 2.94Å; Q9-L11 VanDerWaalsContact C-N 3.32Å; Q9-L11 PolarHBondContact O-N 2.96Å; Q9-R12 PolarHBondContact O-N 3.13Å; Q9-R12 VanDerWaalsContact O-N 3.14Å; Q9-Q13 WeakPolarHBondContact O-CB 3.48Å; Q9-Q13 PolarHBondContact O-N 3.26Å |
| 10 | L | 48.3 | Very low | 48.8 | Very low | 119 Ų | 119 | 131.8 Ų | 131.8 | 62% | 0.623 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -60.2 | -40.8 | 171.3 | -90.1 | 151 | 0 | 0 | 0 | 111.8 | S6 L7 R12 | S6-L10 WeakPolarHBondContact O-CB 3.48Å; S6-L10 PolarHBondContact O-N 2.88Å; L7-L10 PolarHBondContact O-N 3.29Å; L10-R12 VanDerWaalsContact C-N 3.33Å; L10-R12 PolarHBondContact O-N 2.94Å |
| 11 | L | 48.4 | Very low | 48.8 | Very low | 141 Ų | 141 | 132.9 Ų | 132.9 | 74% | 0.738 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -66.5 | -30.2 | 174.3 | -84.7 | 158.3 | 0 | 0 | 0 | 113.5 | L7 Q9 | L7-L11 WeakPolarHBondContact O-CB 3.43Å; L7-L11 PolarHBondContact O-N 2.93Å; Q9-L11 VanDerWaalsContact C-N 3.32Å; Q9-L11 PolarHBondContact O-N 2.96Å |
| 12 | R | 47.6 | Very low | 49.1 | Very low | 221 Ų | 221 | 122.4 Ų | 122.4 | 83% | 0.834 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -84.2 | -24.8 | 180 | -103.8 | -179.5 | 171.1 | -175.5 | -2.1 | 114 | G8 Q9 L10 | G8-R12 PolarHBondContact O-N 3.35Å; Q9-R12 PolarHBondContact O-N 3.13Å; Q9-R12 VanDerWaalsContact O-N 3.14Å; L10-R12 VanDerWaalsContact C-N 3.33Å; L10-R12 PolarHBondContact O-N 2.94Å |
| 13 | Q | 47.3 | Very low | 49.2 | Very low | 159 Ų | 159 | 115.8 Ų | 115.8 | 74% | 0.743 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -88 | -15.4 | -168.7 | -153.5 | 166.8 | -8.4 | 0 | 0 | 114.1 | Q9 Q15 | Q9-Q13 WeakPolarHBondContact O-CB 3.48Å; Q9-Q13 PolarHBondContact O-N 3.26Å; Q13-Q15 VanDerWaalsContact C-N 3.34Å; Q13-Q15 PolarHBondContact O-N 3.02Å |
| 14 | V | 48.9 | Very low | 49.2 | Very low | 117 Ų | 117 | 115 Ų | 115 | 71% | 0.709 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -79.7 | -13 | -178.7 | 174.9 | 0 | 0 | 0 | 0 | 113.3 | R16 | V14-R16 VanDerWaalsContact C-N 3.35Å; V14-R16 PolarHBondContact O-N 3.05Å |
| 15 | Q | 43.7 | Very low | 49.2 | Very low | 110 Ų | 110 | 111.7 Ų | 111.7 | 51% | 0.514 | 59% | 0.585 | S | S | . | * | G | 310 helix | trans | -85.8 | 14.6 | -168.1 | -140.2 | 179.6 | 31.2 | 0 | 0 | 116.5 | Q13 K33 | Q13-Q15 VanDerWaalsContact C-N 3.34Å; Q13-Q15 PolarHBondContact O-N 3.02Å; Q15-K33 VanDerWaalsContact CD-CG 3.47Å |
| 16 | R | 42.9 | Very low | 49.6 | Very low | 230 Ų | 230 | 107 Ų | 107 | 87% | 0.868 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -103.4 | -1.7 | -168.3 | -99.1 | -173.5 | 178.4 | -179.2 | -0.8 | 118.6 | V14 | V14-R16 VanDerWaalsContact C-N 3.35Å; V14-R16 PolarHBondContact O-N 3.05Å |
| 17 | N | 44.4 | Very low | 49.8 | Very low | 143 Ų | 143 | 106.3 Ų | 106.3 | 77% | 0.765 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -126.9 | 112.6 | 169.8 | -76.3 | -22.3 | 0 | 0 | 0 | 109.7 | G19 | N17-G19 PolarHBondContact O-N 3.41Š|
| 18 | G | 46.4 | Very low | 50.3 | Low | 76 Ų | 76 | 105.6 Ų | 105.6 | 78% | 0.784 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -70.1 | 36.6 | -168 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 19 | G | 52.1 | Low | 50.8 | Low | 27 Ų | 27 | 104.9 Ų | 104.9 | 28% | 0.278 | 56% | 0.556 | S | S | . | * | trans | -178.3 | 109.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | N17 R21 | N17-G19 PolarHBondContact O-N 3.41Å; G19-R21 PolarHBondContact O-N 3.02Å | ||
| 20 | V | 53.4 | Low | 51.4 | Low | 58 Ų | 58 | 102.5 Ų | 102.5 | 35% | 0.352 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.4 | 109.4 | 170 | -176.5 | 0 | 0 | 0 | 0 | 105.6 | S22 I31 Y37 | V20-S22 PolarHBondContact O-N 3.26Å; V20-I31 HydrophobicContact CB-CD1 3.59Å; V20-I31 HydrophobicContact CG2-CD1 3.42Å; V20-I31 VanDerWaalsContact CG2-CD1 3.42Å; V20-Y37 HydrophobicContact CB-CD1 4.4Å; V20-Y37 HydrophobicContact CB-CE1 3.79Å; V20-Y37 HydrophobicContact CB-CE2 4.29Å; V20-Y37 HydrophobicContact CG1-CD1 4.45Å; V20-Y37 HydrophobicContact CG1-CE1 3.59Å; V20-Y37 HydrophobicContact CG2-CE1 4.42Å; V20-Y37 PolarHBondContact O-OH 3.44Å |
| 21 | R | 48.3 | Very low | 52.2 | Low | 154 Ų | 154 | 98.9 Ų | 98.9 | 58% | 0.581 | 53% | 0.534 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 124.5 | 169.8 | -98.6 | -174.8 | 168.4 | -163.7 | 5.3 | 107.5 | G19 A23 D26 V28 | G19-R21 PolarHBondContact O-N 3.02Å; R21-A23 PolarHBondContact O-N 2.92Å; R21-D26 WeakPolarHBondContact CD-OD1 3.31Å; R21-D26 IonicContact CZ-OD1 3.27Å; R21-D26 VanDerWaalsContact CZ-OD1 3.27Å; R21-D26 IonicContact NE-OD1 3.47Å; R21-D26 PolarHBondContact NE-OD1 3.18Å; R21-D26 IonicContact NH1-OD1 2.79Å; R21-D26 PolarHBondContact NH1-OD1 3.27Å; R21-D26 IonicContact NH1-OD2 3.74Å; R21-V28 HydrophobicContact CG-CG2 3.9Å |
| 22 | S | 51.6 | Low | 53.2 | Low | 1 Ų | 1 | 98 Ų | 98 | 1% | 0.007 | 53% | 0.525 | C | S | . | . | trans | -66.2 | 133.3 | 170.4 | -178.1 | 0 | 0 | 0 | 0 | 110 | V20 V24 D26 S27 D39 P44 | V20-S22 PolarHBondContact O-N 3.26Å; S22-V24 PolarHBondContact O-N 3.27Å; S22-D26 PolarHBondContact O-N 3.09Å; S22-S27 PolarHBondContact N-O 3Å; S22-D39 WeakPolarHBondContact CB-OD1 3.49Å; S22-D39 PolarHBondContact OG-OD1 3.32Å; S22-P44 WeakPolarHBondContact OG-CG 3.21Å | ||
| 23 | A | 53.3 | Low | 54.1 | Low | 94 Ų | 94 | 96.2 Ų | 96.2 | 78% | 0.777 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -16.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | R21 | R21-A23 PolarHBondContact O-N 2.92Š|
| 24 | V | 50 | Low | 55.3 | Low | 94 Ų | 94 | 91.5 Ų | 91.5 | 57% | 0.57 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.5 | -35.5 | -171.9 | -172.1 | 0 | 0 | 0 | 0 | 113.3 | S22 P41 | S22-V24 PolarHBondContact O-N 3.27Å; V24-P41 VanDerWaalsContact CB-O 3.31Å; V24-P41 WeakPolarHBondContact CB-O 3.38Å; V24-P41 WeakPolarHBondContact CG1-O 3.48Å; V24-P41 HydrophobicContact CG2-CB 4.04Å |
| 25 | T | 54.6 | Low | 56.2 | Low | 67 Ų | 67 | 87.2 Ų | 87.2 | 41% | 0.411 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | -1.3 | -170.6 | 50.6 | 0 | 0 | 0 | 0 | 114 | S27 | T25-S27 PolarHBondContact O-N 3.45Å; T25-S27 PolarHBondContact OG1-OG 3.34Å |
| 26 | D | 58.3 | Low | 57.4 | Low | 101 Ų | 101 | 85.2 Ų | 85.2 | 54% | 0.54 | 48% | 0.483 | S | S | . | . | trans | 53.4 | 11.3 | -172.4 | -103.3 | -28 | 0 | 0 | 0 | 113.8 | R21 S22 V28 | R21-D26 WeakPolarHBondContact CD-OD1 3.31Å; R21-D26 IonicContact CZ-OD1 3.27Å; R21-D26 VanDerWaalsContact CZ-OD1 3.27Å; R21-D26 IonicContact NE-OD1 3.47Å; R21-D26 PolarHBondContact NE-OD1 3.18Å; R21-D26 IonicContact NH1-OD1 2.79Å; R21-D26 PolarHBondContact NH1-OD1 3.27Å; R21-D26 IonicContact NH1-OD2 3.74Å; S22-D26 PolarHBondContact O-N 3.09Å; D26-V28 PolarHBondContact O-N 3.02Å | ||
| 27 | S | 57 | Low | 58.8 | Low | 42 Ų | 42 | 76.9 Ų | 76.9 | 29% | 0.294 | 45% | 0.452 | S | S | . | . | trans | -74.9 | 126.1 | -177.1 | 60.5 | 0 | 0 | 0 | 0 | 109.3 | S22 T25 | S22-S27 PolarHBondContact N-O 3Å; T25-S27 PolarHBondContact O-N 3.45Å; T25-S27 PolarHBondContact OG1-OG 3.34Å | ||
| 28 | V | 58.7 | Low | 60 | Low | 92 Ų | 92 | 72.6 Ų | 72.6 | 56% | 0.558 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 108.6 | 177.7 | -177.4 | 0 | 0 | 0 | 0 | 107.4 | R21 D26 | R21-V28 HydrophobicContact CG-CG2 3.9Å; D26-V28 PolarHBondContact O-N 3.02Å |
| 29 | I | 63.7 | Low | 61.1 | Low | 24 Ų | 24 | 72.9 Ų | 72.9 | 12% | 0.123 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 127.8 | 171.5 | -66.9 | 136.6 | 0 | 0 | 0 | 108.1 | I31 Y37 P44 | I29-I31 PolarHBondContact O-N 2.79Å; I29-Y37 HydrophobicContact CB-CE2 4.47Å; I29-Y37 HydrophobicContact CD1-CE2 4.14Å; I29-P44 HydrophobicContact CD1-CB 3.16Å; I29-P44 HydrophobicContact CD1-CG 3.35Å; I29-P44 WeakPolarHBondContact CD1-O 3.43Å |
| 30 | P | 59.7 | Low | 61.8 | Low | 83 Ų | 83 | 73 Ų | 73 | 54% | 0.539 | 41% | 0.406 | S | S | . | . | trans | -65.2 | 118.5 | 172.1 | 26 | -30.5 | 0 | 0 | 0 | 108.5 | S46 | P30-S46 PolarHBondContact O-OG 3.47Š| ||
| 31 | I | 65.7 | Low | 62.2 | Low | 43 Ų | 43 | 74.4 Ų | 74.4 | 22% | 0.221 | 42% | 0.417 | C | S | . | . | trans | -105.6 | 116.5 | 178.7 | -60.1 | 164.1 | 0 | 0 | 0 | 107 | V20 I29 D35 Y37 | V20-I31 HydrophobicContact CB-CD1 3.59Å; V20-I31 HydrophobicContact CG2-CD1 3.42Å; V20-I31 VanDerWaalsContact CG2-CD1 3.42Å; I29-I31 PolarHBondContact O-N 2.79Å; I31-D35 HydrophobicContact CG2-CB 4.44Å; I31-Y37 HydrophobicContact CD1-CD2 3.6Å; I31-Y37 HydrophobicContact CD1-CE2 3.88Å; I31-Y37 HydrophobicContact CD1-CG 4Å; I31-Y37 HydrophobicContact CG1-CD2 3.85Å; I31-Y37 HydrophobicContact CG1-CE2 4.32Å | ||
| 32 | H | 69 | Low | 62.7 | Low | 123 Ų | 123 | 72.6 Ų | 72.6 | 57% | 0.569 | 42% | 0.418 | S | S | * | . | trans | -91.2 | 158.2 | 174.1 | -60.9 | -68.5 | 0 | 0 | 0 | 111.1 | G34 D35 | H32-G34 PolarHBondContact O-N 2.77Å; H32-D35 WeakPolarHBondContact CA-OD2 3.2Å; H32-D35 VanDerWaalsContact CB-OD2 3.32Å; H32-D35 WeakPolarHBondContact CB-OD2 3.2Å; H32-D35 IonicContact CD2-OD2 3.82Å; H32-D35 IonicContact CG-OD2 3.95Å; H32-D35 PolarHBondContact N-OD2 2.87Å; H32-D35 WeakPolarHBondContact O-CB 3.35Å; H32-D35 PolarHBondContact O-N 3.43Å | ||
| 33 | K | 68.2 | Low | 63.2 | Low | 182 Ų | 182 | 78.5 Ų | 78.5 | 79% | 0.791 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | 108.4 | -177 | -148.8 | -177.5 | -174.6 | 178.4 | 0 | 109.4 | Q15 | Q15-K33 VanDerWaalsContact CD-CG 3.47Š|
| 34 | G | 70.6 | Confident | 63.7 | Low | 61 Ų | 61 | 74.7 Ų | 74.7 | 63% | 0.629 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 113.2 | -6.9 | -178 | 0 | 0 | 0 | 0 | 0 | 114.3 | H32 | H32-G34 PolarHBondContact O-N 2.77Š|
| 35 | D | 69.3 | Low | 64.6 | Low | 26 Ų | 26 | 72.1 Ų | 72.1 | 14% | 0.139 | 39% | 0.393 | C | S | . | . | trans | -72.8 | 141.2 | 176.7 | -67.3 | -16 | 0 | 0 | 0 | 111.7 | I31 H32 Y37 Y47 T48 | I31-D35 HydrophobicContact CG2-CB 4.44Å; H32-D35 WeakPolarHBondContact CA-OD2 3.2Å; H32-D35 VanDerWaalsContact CB-OD2 3.32Å; H32-D35 WeakPolarHBondContact CB-OD2 3.2Å; H32-D35 IonicContact CD2-OD2 3.82Å; H32-D35 IonicContact CG-OD2 3.95Å; H32-D35 PolarHBondContact N-OD2 2.87Å; H32-D35 WeakPolarHBondContact O-CB 3.35Å; H32-D35 PolarHBondContact O-N 3.43Å; D35-Y37 PolarHBondContact O-N 3.45Å; D35-Y47 WeakPolarHBondContact CA-O 3.2Å; D35-T48 VanDerWaalsContact OD1-CA 3.27Å; D35-T48 WeakPolarHBondContact OD1-CA 3.44Å; D35-T48 WeakPolarHBondContact OD1-CG2 3.39Å | ||
| 36 | I | 69.3 | Low | 65.2 | Low | 69 Ų | 69 | 70.5 Ų | 70.5 | 35% | 0.354 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 112.4 | 168 | -56 | 169.3 | 0 | 0 | 0 | 106.7 | L38 Y47 L53 | I36-L38 HydrophobicContact CG2-CD1 4.12Å; I36-Y47 PolarHBondContact N-O 3.4Å; I36-Y47 PolarHBondContact O-N 3.37Å; I36-L53 HydrophobicContact CB-CD2 4.23Å; I36-L53 HydrophobicContact CD1-CD2 3.86Å; I36-L53 HydrophobicContact CG2-CD2 3.78Å |
| 37 | Y | 71.1 | Confident | 65.8 | Low | 54 Ų | 54 | 66.6 Ų | 66.6 | 21% | 0.212 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 125.7 | 174.5 | -178.2 | -105 | 0 | 0 | 0 | 109.9 | V20 I29 I31 D35 D39 P44 | V20-Y37 HydrophobicContact CB-CD1 4.4Å; V20-Y37 HydrophobicContact CB-CE1 3.79Å; V20-Y37 HydrophobicContact CB-CE2 4.29Å; V20-Y37 HydrophobicContact CG1-CD1 4.45Å; V20-Y37 HydrophobicContact CG1-CE1 3.59Å; V20-Y37 HydrophobicContact CG2-CE1 4.42Å; V20-Y37 PolarHBondContact O-OH 3.44Å; I29-Y37 HydrophobicContact CB-CE2 4.47Å; I29-Y37 HydrophobicContact CD1-CE2 4.14Å; I31-Y37 HydrophobicContact CD1-CD2 3.6Å; I31-Y37 HydrophobicContact CD1-CE2 3.88Å; I31-Y37 HydrophobicContact CD1-CG 4Å; I31-Y37 HydrophobicContact CG1-CD2 3.85Å; I31-Y37 HydrophobicContact CG1-CE2 4.32Å; D35-Y37 PolarHBondContact O-N 3.45Å; Y37-D39 HydrophobicContact CE1-CB 3.74Å; Y37-P44 HydrophobicContact CE2-CB 4.47Å |
| 38 | L | 69.6 | Low | 66.6 | Low | 54 Ų | 54 | 69.8 Ų | 69.8 | 28% | 0.283 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 117.7 | 166.5 | -110.7 | 87.2 | 0 | 0 | 0 | 108.9 | I36 M40 M45 L53 | I36-L38 HydrophobicContact CG2-CD1 4.12Å; L38-M40 HydrophobicContact CB-CE 4.4Å; L38-M40 HydrophobicContact CB-CG 4.47Å; L38-M40 HydrophobicContact CD2-CE 3.31Å; L38-M40 HydrophobicContact CD2-CG 4.35Å; L38-M40 HydrophobicContact CG-CE 4.48Å; L38-M40 PolarHBondContact O-N 2.94Å; L38-M45 PolarHBondContact N-O 2.9Å; L38-M45 PolarHBondContact O-N 2.76Å; L38-M45 VanDerWaalsContact O-N 3.12Å; L38-L53 HydrophobicContact CD1-CD1 3.96Å; L38-L53 HydrophobicContact CD1-CD2 4.46Å |
| 39 | D | 69.4 | Low | 67.5 | Low | 82 Ų | 82 | 68.7 Ų | 68.7 | 44% | 0.439 | 37% | 0.372 | S | S | . | . | trans | -82.8 | 100.8 | 168 | -161 | 6.8 | 0 | 0 | 0 | 108.1 | S22 Y37 | S22-D39 WeakPolarHBondContact CB-OD1 3.49Å; S22-D39 PolarHBondContact OG-OD1 3.32Å; Y37-D39 HydrophobicContact CE1-CB 3.74Å | ||
| 40 | M | 66.9 | Low | 68.1 | Low | 29 Ų | 29 | 76.4 Ų | 76.4 | 14% | 0.143 | 40% | 0.399 | C | S | . | . | trans | -104.1 | 140.9 | 170.4 | -58.4 | -174.4 | -178.1 | 0 | 0 | 108.5 | L38 L42 F43 I57 | L38-M40 HydrophobicContact CB-CE 4.4Å; L38-M40 HydrophobicContact CB-CG 4.47Å; L38-M40 HydrophobicContact CD2-CE 3.31Å; L38-M40 HydrophobicContact CD2-CG 4.35Å; L38-M40 HydrophobicContact CG-CE 4.48Å; L38-M40 PolarHBondContact O-N 2.94Å; M40-L42 PolarHBondContact O-N 3.28Å; M40-F43 WeakPolarHBondContact CB-O 3.47Å; M40-F43 PolarHBondContact O-N 3.39Å; M40-I57 HydrophobicContact CE-CG1 4.46Å | ||
| 41 | P | 61.8 | Low | 69.1 | Low | 88 Ų | 88 | 81.9 Ų | 81.9 | 57% | 0.571 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -62.5 | -16.9 | -172.5 | 21.2 | -32.2 | 0 | 0 | 0 | 114.9 | V24 | V24-P41 VanDerWaalsContact CB-O 3.31Å; V24-P41 WeakPolarHBondContact CB-O 3.38Å; V24-P41 WeakPolarHBondContact CG1-O 3.48Å; V24-P41 HydrophobicContact CG2-CB 4.04Å |
| 42 | L | 58.2 | Low | 69.8 | Low | 115 Ų | 115 | 85.9 Ų | 85.9 | 60% | 0.602 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -110.9 | -33.9 | -178.7 | -86.4 | 145.7 | 0 | 0 | 0 | 113.7 | M40 | M40-L42 PolarHBondContact O-N 3.28Š|
| 43 | F | 63.6 | Low | 70.4 | Confident | 125 Ų | 125 | 80.9 Ų | 80.9 | 55% | 0.548 | 40% | 0.402 | S | S | . | . | trans | -150.1 | 97.7 | -177.8 | -64.7 | -77.2 | 0 | 0 | 0 | 108.8 | M40 M45 | M40-F43 WeakPolarHBondContact CB-O 3.47Å; M40-F43 PolarHBondContact O-N 3.39Å; F43-M45 HydrophobicContact CB-CE 3.39Å; F43-M45 HydrophobicContact CB-CG 4.49Å; F43-M45 HydrophobicContact CG-CE 4.27Å; F43-M45 WeakPolarHBondContact O-CG 3.32Å | ||
| 44 | P | 62.8 | Low | 71.1 | Confident | 15 Ų | 15 | 76.6 Ų | 76.6 | 10% | 0.097 | 39% | 0.387 | C | S | . | . | trans | -76.3 | 137.9 | 178 | 16.9 | -0 | 0 | 0 | 0 | 106.7 | S22 I29 Y37 | S22-P44 WeakPolarHBondContact OG-CG 3.21Å; I29-P44 HydrophobicContact CD1-CB 3.16Å; I29-P44 HydrophobicContact CD1-CG 3.35Å; I29-P44 WeakPolarHBondContact CD1-O 3.43Å; Y37-P44 HydrophobicContact CE2-CB 4.47Å | ||
| 45 | M | 68.8 | Low | 71.8 | Confident | 39 Ų | 39 | 80.3 Ų | 80.3 | 19% | 0.192 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 132.6 | -170.9 | -59.6 | -171.9 | -146.5 | 0 | 0 | 110.2 | L38 F43 Y47 Q56 | L38-M45 PolarHBondContact N-O 2.9Å; L38-M45 PolarHBondContact O-N 2.76Å; L38-M45 VanDerWaalsContact O-N 3.12Å; F43-M45 HydrophobicContact CB-CE 3.39Å; F43-M45 HydrophobicContact CB-CG 4.49Å; F43-M45 HydrophobicContact CG-CE 4.27Å; F43-M45 WeakPolarHBondContact O-CG 3.32Å; M45-Y47 HydrophobicContact CB-CD2 4.37Å; M45-Y47 HydrophobicContact CB-CE2 3.51Å; M45-Y47 PolarHBondContact SD-OH 2.95Å; M45-Q56 HydrophobicContact SD-CG 4.14Å; M45-Q56 PolarHBondContact SD-NE2 2.79Å |
| 46 | S | 68.4 | Low | 72.4 | Confident | 34 Ų | 34 | 82.6 Ų | 82.6 | 24% | 0.238 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 134.7 | 170.1 | 74.7 | 0 | 0 | 0 | 0 | 109.7 | P30 | P30-S46 PolarHBondContact O-OG 3.47Å |
| 47 | Y | 69.4 | Low | 73.1 | Confident | 19 Ų | 19 | 82.3 Ų | 82.3 | 8% | 0.075 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 126.1 | 178.1 | -62.2 | -82.4 | 0 | 0 | 0 | 112 | D35 I36 M45 K52 L53 Q56 | D35-Y47 WeakPolarHBondContact CA-O 3.2Å; I36-Y47 PolarHBondContact N-O 3.4Å; I36-Y47 PolarHBondContact O-N 3.37Å; M45-Y47 HydrophobicContact CB-CD2 4.37Å; M45-Y47 HydrophobicContact CB-CE2 3.51Å; M45-Y47 PolarHBondContact SD-OH 2.95Å; Y47-K52 HydrophobicContact CD1-CB 4.02Å; Y47-L53 HydrophobicContact CD2-CB 3.94Å; Y47-L53 HydrophobicContact CD2-CD1 3.42Å; Y47-L53 VanDerWaalsContact CD2-CD1 3.42Å; Y47-L53 HydrophobicContact CD2-CG 4.25Å; Y47-L53 HydrophobicContact CE2-CB 4.49Å; Y47-L53 HydrophobicContact CE2-CD1 3.55Å; Y47-L53 HydrophobicContact CG-CB 3.96Å; Y47-L53 HydrophobicContact CG-CD1 4.31Å; Y47-Q56 HydrophobicContact CE1-CB 4.24Å; Y47-Q56 HydrophobicContact CE1-CG 4.48Å; Y47-Q56 WeakPolarHBondContact OH-CB 3.28Å; Y47-Q56 WeakPolarHBondContact OH-CG 3.45Å; Y47-Q56 PolarHBondContact OH-NE2 3.08Å; Y47-Q56 PolarHBondContact OH-OE1 2.9Å; Y47-Q56 VanDerWaalsContact OH-OE1 3.09Å |
| 48 | T | 73.9 | Confident | 73.8 | Confident | 109 Ų | 109 | 81.8 Ų | 81.8 | 67% | 0.669 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -72 | -29.1 | 168 | 45.7 | 0 | 0 | 0 | 0 | 112.7 | D35 | D35-T48 VanDerWaalsContact OD1-CA 3.27Å; D35-T48 WeakPolarHBondContact OD1-CA 3.44Å; D35-T48 WeakPolarHBondContact OD1-CG2 3.39Å |
| 49 | N | 77.7 | Confident | 74.6 | Confident | 69 Ų | 69 | 82.6 Ų | 82.6 | 37% | 0.369 | 41% | 0.41 | S | S | . | . | trans | -120.9 | 124.3 | -173.7 | -172.1 | -22.4 | 0 | 0 | 0 | 111.8 | W51 K52 L53 | N49-W51 VanDerWaalsContact C-N 3.26Å; N49-W51 PolarHBondContact O-N 3.44Å; N49-W51 PolarHBondContact OD1-N 3.21Å; N49-K52 HydrophobicContact CB-CB 4.39Å; N49-K52 HydrophobicContact CB-CD 4.3Å; N49-K52 HydrophobicContact CB-CG 4.21Å; N49-K52 WeakPolarHBondContact O-CB 3.48Å; N49-K52 PolarHBondContact O-N 3.04Å; N49-K52 VanDerWaalsContact O-N 3.1Å; N49-L53 PolarHBondContact O-N 2.97Å | ||
| 50 | R | 76.7 | Confident | 75.3 | Confident | 185 Ų | 185 | 83.4 Ų | 83.4 | 70% | 0.698 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -59.1 | -33.2 | -179.6 | -169.6 | 175.8 | -179.2 | 176.9 | 0.1 | 113.5 | L53 L54 | R50-L53 WeakPolarHBondContact O-CB 3.33Å; R50-L53 PolarHBondContact O-N 3.29Å; R50-L54 PolarHBondContact O-N 2.91Å |
| 51 | W | 80.8 | Confident | 76.2 | Confident | 198 Ų | 198 | 85.8 Ų | 85.8 | 75% | 0.75 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -70.1 | -36.5 | 177.5 | -68.2 | 108.9 | 0 | 0 | 0 | 112.4 | N49 L53 L54 F55 | N49-W51 VanDerWaalsContact C-N 3.26Å; N49-W51 PolarHBondContact O-N 3.44Å; N49-W51 PolarHBondContact OD1-N 3.21Å; W51-L53 VanDerWaalsContact C-N 3.34Å; W51-L54 HydrophobicContact CE3-CD1 4.12Å; W51-L54 HydrophobicContact CZ3-CD1 4.27Å; W51-L54 PolarHBondContact O-N 2.92Å; W51-F55 WeakPolarHBondContact O-CB 2.94Å; W51-F55 PolarHBondContact O-N 3.22Å |
| 52 | K | 80.2 | Confident | 77.4 | Confident | 128 Ų | 128 | 83.2 Ų | 83.2 | 56% | 0.557 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -64.8 | -41.8 | 173.7 | -71.8 | -175.1 | 170.6 | -179.3 | 0 | 110.9 | Y47 N49 F55 Q56 | Y47-K52 HydrophobicContact CD1-CB 4.02Å; N49-K52 HydrophobicContact CB-CB 4.39Å; N49-K52 HydrophobicContact CB-CD 4.3Å; N49-K52 HydrophobicContact CB-CG 4.21Å; N49-K52 WeakPolarHBondContact O-CB 3.48Å; N49-K52 PolarHBondContact O-N 3.04Å; N49-K52 VanDerWaalsContact O-N 3.1Å; K52-F55 PolarHBondContact O-N 3.19Å; K52-Q56 WeakPolarHBondContact O-CB 3.22Å; K52-Q56 PolarHBondContact O-N 3.12Å |
| 53 | L | 81.7 | Confident | 78.8 | Confident | 17 Ų | 17 | 82.4 Ų | 82.4 | 9% | 0.089 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -58 | -50.9 | 174.4 | 174 | 67 | 0 | 0 | 0 | 111.7 | I36 L38 Y47 N49 R50 W51 F55 Q56 I57 | I36-L53 HydrophobicContact CB-CD2 4.23Å; I36-L53 HydrophobicContact CD1-CD2 3.86Å; I36-L53 HydrophobicContact CG2-CD2 3.78Å; L38-L53 HydrophobicContact CD1-CD1 3.96Å; L38-L53 HydrophobicContact CD1-CD2 4.46Å; Y47-L53 HydrophobicContact CD2-CB 3.94Å; Y47-L53 HydrophobicContact CD2-CD1 3.42Å; Y47-L53 VanDerWaalsContact CD2-CD1 3.42Å; Y47-L53 HydrophobicContact CD2-CG 4.25Å; Y47-L53 HydrophobicContact CE2-CB 4.49Å; Y47-L53 HydrophobicContact CE2-CD1 3.55Å; Y47-L53 HydrophobicContact CG-CB 3.96Å; Y47-L53 HydrophobicContact CG-CD1 4.31Å; N49-L53 PolarHBondContact O-N 2.97Å; R50-L53 WeakPolarHBondContact O-CB 3.33Å; R50-L53 PolarHBondContact O-N 3.29Å; W51-L53 VanDerWaalsContact C-N 3.34Å; L53-F55 VanDerWaalsContact C-N 3.31Å; L53-F55 PolarHBondContact O-N 3.45Å; L53-Q56 PolarHBondContact O-N 3.36Å; L53-I57 HydrophobicContact CD1-CD1 3.85Å; L53-I57 HydrophobicContact CD1-CG1 4.23Å; L53-I57 HydrophobicContact CG-CD1 3.93Å; L53-I57 WeakPolarHBondContact O-CG1 3.41Å; L53-I57 PolarHBondContact O-N 3.09Å |
| 54 | L | 83.5 | Confident | 79.9 | Confident | 92 Ų | 92 | 80 Ų | 80 | 48% | 0.482 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59.8 | -42.8 | 179.1 | -77.6 | 171.1 | 0 | 0 | 0 | 112.1 | R50 W51 Q56 G58 | R50-L54 PolarHBondContact O-N 2.91Å; W51-L54 HydrophobicContact CE3-CD1 4.12Å; W51-L54 HydrophobicContact CZ3-CD1 4.27Å; W51-L54 PolarHBondContact O-N 2.92Å; L54-Q56 VanDerWaalsContact C-N 3.34Å; L54-Q56 PolarHBondContact O-N 3.5Å; L54-G58 PolarHBondContact O-N 2.96Å |
| 55 | F | 85.6 | Confident | 81.2 | Confident | 140 Ų | 140 | 86 Ų | 86 | 61% | 0.614 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -61.5 | -43 | 177 | -176.4 | -106.2 | 0 | 0 | 0 | 111.8 | W51 K52 L53 G58 I59 | W51-F55 WeakPolarHBondContact O-CB 2.94Å; W51-F55 PolarHBondContact O-N 3.22Å; K52-F55 PolarHBondContact O-N 3.19Å; L53-F55 VanDerWaalsContact C-N 3.31Å; L53-F55 PolarHBondContact O-N 3.45Å; F55-G58 PolarHBondContact O-N 3.21Å; F55-I59 HydrophobicContact CD1-CD1 3.79Å; F55-I59 HydrophobicContact CE1-CD1 3.24Å; F55-I59 HydrophobicContact CE1-CG1 4.24Å; F55-I59 HydrophobicContact CE2-CD1 4.36Å; F55-I59 HydrophobicContact CZ-CD1 3.58Å; F55-I59 HydrophobicContact CZ-CG1 4.31Å; F55-I59 WeakPolarHBondContact O-CG1 2.98Å; F55-I59 PolarHBondContact O-N 2.82Å |
| 56 | Q | 81.9 | Confident | 82.3 | Confident | 74 Ų | 74 | 86.6 Ų | 86.6 | 35% | 0.346 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -72.4 | -37.4 | -177.6 | -146.4 | 138.2 | -23.4 | 0 | 0 | 112.7 | M45 Y47 K52 L53 L54 G58 I59 F60 | M45-Q56 HydrophobicContact SD-CG 4.14Å; M45-Q56 PolarHBondContact SD-NE2 2.79Å; Y47-Q56 HydrophobicContact CE1-CB 4.24Å; Y47-Q56 HydrophobicContact CE1-CG 4.48Å; Y47-Q56 WeakPolarHBondContact OH-CB 3.28Å; Y47-Q56 WeakPolarHBondContact OH-CG 3.45Å; Y47-Q56 PolarHBondContact OH-NE2 3.08Å; Y47-Q56 PolarHBondContact OH-OE1 2.9Å; Y47-Q56 VanDerWaalsContact OH-OE1 3.09Å; K52-Q56 WeakPolarHBondContact O-CB 3.22Å; K52-Q56 PolarHBondContact O-N 3.12Å; L53-Q56 PolarHBondContact O-N 3.36Å; L54-Q56 VanDerWaalsContact C-N 3.34Å; L54-Q56 PolarHBondContact O-N 3.5Å; Q56-G58 VanDerWaalsContact C-N 3.3Å; Q56-G58 PolarHBondContact O-N 3.47Å; Q56-I59 PolarHBondContact O-N 3.45Å; Q56-F60 WeakPolarHBondContact O-CB 3.03Å; Q56-F60 PolarHBondContact O-N 3.03Å |
| 57 | I | 83.2 | Confident | 83.4 | Confident | 62 Ų | 62 | 90.2 Ų | 90.2 | 32% | 0.318 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.3 | -43.6 | 168.9 | -67.2 | 169.2 | 0 | 0 | 0 | 110 | M40 L53 I59 F60 C61 | M40-I57 HydrophobicContact CE-CG1 4.46Å; L53-I57 HydrophobicContact CD1-CD1 3.85Å; L53-I57 HydrophobicContact CD1-CG1 4.23Å; L53-I57 HydrophobicContact CG-CD1 3.93Å; L53-I57 WeakPolarHBondContact O-CG1 3.41Å; L53-I57 PolarHBondContact O-N 3.09Å; I57-I59 PolarHBondContact O-N 2.99Å; I57-F60 PolarHBondContact O-N 3.41Å; I57-C61 WeakPolarHBondContact O-CB 3.22Å; I57-C61 PolarHBondContact O-N 3.21Å |
| 58 | G | 86.6 | Confident | 84.4 | Confident | 43 Ų | 43 | 93.2 Ų | 93.2 | 44% | 0.443 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.2 | -43.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L54 F55 Q56 G62 | L54-G58 PolarHBondContact O-N 2.96Å; F55-G58 PolarHBondContact O-N 3.21Å; Q56-G58 VanDerWaalsContact C-N 3.3Å; Q56-G58 PolarHBondContact O-N 3.47Å; G58-G62 VanDerWaalsContact O-CA 3.22Å; G58-G62 WeakPolarHBondContact O-CA 3.47Å; G58-G62 PolarHBondContact O-N 2.97Å |
| 59 | I | 86.5 | Confident | 85.3 | Confident | 72 Ų | 72 | 94 Ų | 94 | 37% | 0.369 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.3 | -48.6 | 174.5 | -71.6 | 177.8 | 0 | 0 | 0 | 110.8 | F55 Q56 I57 C61 G62 I63 | F55-I59 HydrophobicContact CD1-CD1 3.79Å; F55-I59 HydrophobicContact CE1-CD1 3.24Å; F55-I59 HydrophobicContact CE1-CG1 4.24Å; F55-I59 HydrophobicContact CE2-CD1 4.36Å; F55-I59 HydrophobicContact CZ-CD1 3.58Å; F55-I59 HydrophobicContact CZ-CG1 4.31Å; F55-I59 WeakPolarHBondContact O-CG1 2.98Å; F55-I59 PolarHBondContact O-N 2.82Å; Q56-I59 PolarHBondContact O-N 3.45Å; I57-I59 PolarHBondContact O-N 2.99Å; I59-C61 VanDerWaalsContact C-N 3.33Å; I59-C61 PolarHBondContact O-N 3.41Å; I59-G62 PolarHBondContact O-N 3.36Å; I59-I63 HydrophobicContact CG2-CD1 3.49Å; I59-I63 VanDerWaalsContact CG2-CD1 3.49Å; I59-I63 HydrophobicContact CG2-CG1 4.16Å; I59-I63 WeakPolarHBondContact O-CG1 3.38Å; I59-I63 PolarHBondContact O-N 3.48Å |
| 60 | F | 83.3 | Confident | 86 | Confident | 99 Ų | 99 | 98.1 Ų | 98.1 | 43% | 0.434 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.2 | -39.5 | -174.1 | -169.3 | -93.8 | 0 | 0 | 0 | 112.3 | Q56 I57 P64 | Q56-F60 WeakPolarHBondContact O-CB 3.03Å; Q56-F60 PolarHBondContact O-N 3.03Å; I57-F60 PolarHBondContact O-N 3.41Å; F60-P64 WeakPolarHBondContact O-CD 3.48Å; F60-P64 WeakPolarHBondContact O-CG 3.43Å |
| 61 | C | 85.6 | Confident | 86.7 | Confident | 78 Ų | 78 | 91.1 Ų | 91.1 | 53% | 0.527 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -82.7 | -35.1 | 174.8 | -64.7 | 0 | 0 | 0 | 0 | 112.3 | I57 I59 F65 | I57-C61 WeakPolarHBondContact O-CB 3.22Å; I57-C61 PolarHBondContact O-N 3.21Å; I59-C61 VanDerWaalsContact C-N 3.33Å; I59-C61 PolarHBondContact O-N 3.41Å; C61-F65 VanDerWaalsContact O-CB 3.32Å; C61-F65 WeakPolarHBondContact O-CB 3.4Å; C61-F65 PolarHBondContact O-N 3.17Å |
| 62 | G | 87.7 | Confident | 87.3 | Confident | 34 Ų | 34 | 86.7 Ų | 86.7 | 35% | 0.351 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -72.2 | -39.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | G58 I59 F65 A66 | G58-G62 VanDerWaalsContact O-CA 3.22Å; G58-G62 WeakPolarHBondContact O-CA 3.47Å; G58-G62 PolarHBondContact O-N 2.97Å; I59-G62 PolarHBondContact O-N 3.36Å; G62-F65 PolarHBondContact O-N 2.95Å; G62-A66 VanDerWaalsContact O-CB 3.28Å; G62-A66 WeakPolarHBondContact O-CB 3.48Å; G62-A66 PolarHBondContact O-N 3.39Å |
| 63 | I | 86.4 | Confident | 87.8 | Confident | 98 Ų | 98 | 87 Ų | 87 | 50% | 0.503 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.9 | -54.8 | 179.8 | -68 | 174 | 0 | 0 | 0 | 111.3 | I59 F65 A66 I67 | I59-I63 HydrophobicContact CG2-CD1 3.49Å; I59-I63 VanDerWaalsContact CG2-CD1 3.49Å; I59-I63 HydrophobicContact CG2-CG1 4.16Å; I59-I63 WeakPolarHBondContact O-CG1 3.38Å; I59-I63 PolarHBondContact O-N 3.48Å; I63-F65 PolarHBondContact O-N 2.99Å; I63-A66 PolarHBondContact O-N 3.41Å; I63-A66 VanDerWaalsContact O-N 3.09Å; I63-I67 HydrophobicContact CG2-CD1 4.05Å; I63-I67 HydrophobicContact CG2-CG1 4.49Å; I63-I67 WeakPolarHBondContact O-CG1 3.48Å; I63-I67 PolarHBondContact O-N 3.21Å |
| 64 | P | 87.4 | Confident | 88.3 | Confident | 76 Ų | 76 | 94.1 Ų | 94.1 | 49% | 0.494 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.7 | -36.6 | 178.2 | -23 | 34 | 0 | 0 | 0 | 112.5 | F60 P68 | F60-P64 WeakPolarHBondContact O-CD 3.48Å; F60-P64 WeakPolarHBondContact O-CG 3.43Å; P64-P68 WeakPolarHBondContact O-CD 3.36Å |
| 65 | F | 89.8 | Confident | 88.7 | Confident | 140 Ų | 140 | 92.6 Ų | 92.6 | 61% | 0.614 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -67.6 | -36.5 | 176.8 | -174.9 | -99.6 | 0 | 0 | 0 | 112.8 | C61 G62 I63 P68 F69 | C61-F65 VanDerWaalsContact O-CB 3.32Å; C61-F65 WeakPolarHBondContact O-CB 3.4Å; C61-F65 PolarHBondContact O-N 3.17Å; G62-F65 PolarHBondContact O-N 2.95Å; I63-F65 PolarHBondContact O-N 2.99Å; F65-P68 WeakPolarHBondContact O-CD 3.4Å; F65-F69 HydrophobicContact CD1-CE2 4.1Å; F65-F69 HydrophobicContact CE1-CD2 4.3Å; F65-F69 AromaticContact CE1-CE2 3.59Å; F65-F69 HydrophobicContact CE1-CE2 3.59Å; F65-F69 HydrophobicContact CE1-CZ 4.33Å; F65-F69 HydrophobicContact CE2-CE2 4.06Å; F65-F69 AromaticContact CZ-CE2 3.57Å; F65-F69 HydrophobicContact CZ-CE2 3.57Å; F65-F69 HydrophobicContact CZ-CZ 4Å; F65-F69 WeakPolarHBondContact O-CD2 3.32Å; F65-F69 WeakPolarHBondContact O-CE2 3.47Å |
| 66 | A | 91.2 | Very high | 89 | Confident | 51 Ų | 51 | 91 Ų | 91 | 42% | 0.421 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -76.8 | -27.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114 | G62 I63 F69 Y70 | G62-A66 VanDerWaalsContact O-CB 3.28Å; G62-A66 WeakPolarHBondContact O-CB 3.48Å; G62-A66 PolarHBondContact O-N 3.39Å; I63-A66 PolarHBondContact O-N 3.41Å; I63-A66 VanDerWaalsContact O-N 3.09Å; A66-F69 PolarHBondContact O-N 3.14Å; A66-Y70 PolarHBondContact O-N 3.04Å |
| 67 | I | 91.2 | Very high | 89.4 | Confident | 110 Ų | 110 | 92.7 Ų | 92.7 | 56% | 0.564 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -55.8 | -49 | -175.6 | -72.2 | 164.2 | 0 | 0 | 0 | 113 | I63 F69 Y70 G71 | I63-I67 HydrophobicContact CG2-CD1 4.05Å; I63-I67 HydrophobicContact CG2-CG1 4.49Å; I63-I67 WeakPolarHBondContact O-CG1 3.48Å; I63-I67 PolarHBondContact O-N 3.21Å; I67-F69 PolarHBondContact O-N 3.46Å; I67-Y70 PolarHBondContact O-N 3.47Å; I67-G71 PolarHBondContact O-N 3.25Å |
| 68 | P | 91.7 | Very high | 89.4 | Confident | 83 Ų | 83 | 97.4 Ų | 97.4 | 54% | 0.539 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.5 | -42.6 | 178.5 | -25 | 33.5 | 0 | 0 | 0 | 113.4 | P64 F65 G71 L72 | P64-P68 WeakPolarHBondContact O-CD 3.36Å; F65-P68 WeakPolarHBondContact O-CD 3.4Å; P68-G71 PolarHBondContact O-N 2.86Å; P68-L72 PolarHBondContact O-N 3.03Å |
| 69 | F | 93 | Very high | 88.3 | Confident | 124 Ų | 124 | 104.2 Ų | 104.2 | 54% | 0.544 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67 | -38.6 | 179.3 | -65.3 | -78.1 | 0 | 0 | 0 | 111.9 | F65 A66 I67 G71 L72 R73 | F65-F69 HydrophobicContact CD1-CE2 4.1Å; F65-F69 HydrophobicContact CE1-CD2 4.3Å; F65-F69 AromaticContact CE1-CE2 3.59Å; F65-F69 HydrophobicContact CE1-CE2 3.59Å; F65-F69 HydrophobicContact CE1-CZ 4.33Å; F65-F69 HydrophobicContact CE2-CE2 4.06Å; F65-F69 AromaticContact CZ-CE2 3.57Å; F65-F69 HydrophobicContact CZ-CE2 3.57Å; F65-F69 HydrophobicContact CZ-CZ 4Å; F65-F69 WeakPolarHBondContact O-CD2 3.32Å; F65-F69 WeakPolarHBondContact O-CE2 3.47Å; A66-F69 PolarHBondContact O-N 3.14Å; I67-F69 PolarHBondContact O-N 3.46Å; F69-G71 VanDerWaalsContact C-N 3.34Å; F69-L72 PolarHBondContact O-N 3.45Å; F69-R73 WeakPolarHBondContact O-CB 3.46Å; F69-R73 PolarHBondContact O-N 2.92Å |
| 70 | Y | 91.6 | Very high | 86.7 | Confident | 156 Ų | 156 | 113.5 Ų | 113.5 | 61% | 0.612 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -65.6 | -39.6 | 174.8 | -159.4 | -90.2 | 0 | 0 | 0 | 111.6 | A66 I67 R73 R74 | A66-Y70 PolarHBondContact O-N 3.04Å; I67-Y70 PolarHBondContact O-N 3.47Å; Y70-R73 PolarHBondContact O-N 3.07Å; Y70-R74 WeakPolarHBondContact O-CB 2.95Å; Y70-R74 PolarHBondContact O-N 2.99Å |
| 71 | G | 92.1 | Very high | 86.9 | Confident | 39 Ų | 39 | 114.3 Ų | 114.3 | 40% | 0.402 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -60.6 | -46.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | I67 P68 F69 R74 A75 | I67-G71 PolarHBondContact O-N 3.25Å; P68-G71 PolarHBondContact O-N 2.86Å; F69-G71 VanDerWaalsContact C-N 3.34Å; G71-R74 PolarHBondContact O-N 3.26Å; G71-A75 PolarHBondContact O-N 3.41Å |
| 72 | L | 92.2 | Very high | 87 | Confident | 105 Ų | 105 | 116.2 Ų | 116.2 | 55% | 0.55 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -60.1 | -47.8 | 176.1 | -173.1 | 74.9 | 0 | 0 | 0 | 111.5 | P68 F69 R74 A75 L76 | P68-L72 PolarHBondContact O-N 3.03Å; F69-L72 PolarHBondContact O-N 3.45Å; L72-R74 VanDerWaalsContact C-N 3.28Å; L72-R74 PolarHBondContact O-N 3.46Å; L72-A75 PolarHBondContact O-N 3.28Å; L72-A75 VanDerWaalsContact O-N 3.13Å; L72-L76 HydrophobicContact CG-CD1 4.24Å; L72-L76 WeakPolarHBondContact O-CG 3.27Å; L72-L76 PolarHBondContact O-N 3.03Å |
| 73 | R | 92.6 | Very high | 86.9 | Confident | 135 Ų | 135 | 120.7 Ų | 120.7 | 51% | 0.509 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -56.4 | -44.7 | 176.3 | -179.8 | 179.5 | 177.5 | -95.2 | 1.1 | 111.3 | F69 Y70 A75 L76 M77 | F69-R73 WeakPolarHBondContact O-CB 3.46Å; F69-R73 PolarHBondContact O-N 2.92Å; Y70-R73 PolarHBondContact O-N 3.07Å; R73-A75 VanDerWaalsContact C-N 3.35Å; R73-L76 PolarHBondContact O-N 2.91Å; R73-M77 HydrophobicContact CG-CE 4.42Å; R73-M77 WeakPolarHBondContact O-CG 3.47Å; R73-M77 PolarHBondContact O-N 3.1Å |
| 74 | R | 91.9 | Very high | 86.9 | Confident | 166 Ų | 166 | 122.1 Ų | 122.1 | 63% | 0.626 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -65.8 | -36.5 | 178.5 | -167.1 | 178.6 | -177.3 | -168.7 | 1.1 | 112.2 | Y70 G71 L72 K78 | Y70-R74 WeakPolarHBondContact O-CB 2.95Å; Y70-R74 PolarHBondContact O-N 2.99Å; G71-R74 PolarHBondContact O-N 3.26Å; L72-R74 VanDerWaalsContact C-N 3.28Å; L72-R74 PolarHBondContact O-N 3.46Å; R74-K78 PolarHBondContact O-N 3.35Å |
| 75 | A | 91.7 | Very high | 86.9 | Confident | 60 Ų | 60 | 124.9 Ų | 124.9 | 50% | 0.496 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -68.1 | -40.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | G71 L72 R73 K78 | G71-A75 PolarHBondContact O-N 3.41Å; L72-A75 PolarHBondContact O-N 3.28Å; L72-A75 VanDerWaalsContact O-N 3.13Å; R73-A75 VanDerWaalsContact C-N 3.35Å; A75-K78 PolarHBondContact O-N 3.4Å |
| 76 | L | 92.3 | Very high | 86.7 | Confident | 105 Ų | 105 | 123.9 Ų | 123.9 | 55% | 0.55 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -66.6 | -41.4 | 176.9 | -70.2 | 169.7 | 0 | 0 | 0 | 112.2 | L72 R73 K78 K79 | L72-L76 HydrophobicContact CG-CD1 4.24Å; L72-L76 WeakPolarHBondContact O-CG 3.27Å; L72-L76 PolarHBondContact O-N 3.03Å; R73-L76 PolarHBondContact O-N 2.91Å; L76-K78 PolarHBondContact O-N 3.15Å; L76-K79 PolarHBondContact O-N 3.47Å |
| 77 | M | 90 | Very high | 86.4 | Confident | 111 Ų | 111 | 129.1 Ų | 129.1 | 55% | 0.547 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -69.5 | -17.6 | 177.9 | -74.1 | -163.3 | 175.4 | 0 | 0 | 114.3 | R73 K79 Y80 | R73-M77 HydrophobicContact CG-CE 4.42Å; R73-M77 WeakPolarHBondContact O-CG 3.47Å; R73-M77 PolarHBondContact O-N 3.1Å; M77-K79 VanDerWaalsContact C-N 3.33Å; M77-Y80 VanDerWaalsContact O-OXT 3.09Å |
| 78 | K | 83.7 | Confident | 86 | Confident | 160 Ų | 160 | 130.6 Ų | 130.6 | 70% | 0.696 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -14.4 | 175 | -81.1 | -174.9 | 175 | -169.4 | 0 | 113.7 | R74 A75 L76 | R74-K78 PolarHBondContact O-N 3.35Å; A75-K78 PolarHBondContact O-N 3.4Å; L76-K78 PolarHBondContact O-N 3.15Å |
| 79 | K | 62.6 | Low | 85.6 | Confident | 187 Ų | 187 | 134.6 Ų | 134.6 | 81% | 0.813 | 62% | 0.616 | S | S | * | * | trans | -87.9 | -11.4 | 178.6 | -90.1 | -168.4 | 173.3 | -171.8 | 0 | 113.3 | L76 M77 | L76-K79 PolarHBondContact O-N 3.47Å; M77-K79 VanDerWaalsContact C-N 3.33Å | ||
| 80 | Y | 53 | Low | 84.9 | Confident | 267 Ų | 267 | 135.5 Ų | 135.5 | 100% | 1.047 | 62% | 0.623 | S | S | * | * | trans | -110.1 | 0 | 172.2 | -72.3 | -84.5 | 0 | 0 | 0 | 109.2 | M77 | M77-Y80 VanDerWaalsContact O-OXT 3.09Š|
Retrieved 80 of 80 residues in 65.3 ms
(Link to these results)