| 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 | 47.4 | Very low | 74 | Confident | 177 Ų | 177 | 110.9 Ų | 110.9 | 87% | 0.872 | 56% | 0.563 | S | S | * | * | 0 | -21.7 | 0 | -78.3 | -134.7 | -179.6 | 0 | 0 | 113.4 | D3 L33 | M1-D3 VanDerWaalsContact C-N 3.34Å; M1-D3 PolarHBondContact O-N 2.86Å; M1-L33 HydrophobicContact CE-CD1 3.95Å; M1-L33 HydrophobicContact CE-CD2 4.35Å | |||
| 2 | A | 45 | Very low | 75.3 | Confident | 85 Ų | 85 | 110.7 Ų | 110.7 | 70% | 0.702 | 56% | 0.556 | S | S | * | * | G | 310 helix | trans | -66.2 | -29.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114 | I4 Q5 | A2-I4 PolarHBondContact O-N 3.42Å; A2-I4 VanDerWaalsContact O-N 3.16Å; A2-Q5 PolarHBondContact O-N 2.81Å |
| 3 | D | 59.2 | Low | 76.4 | Confident | 150 Ų | 150 | 103.5 Ų | 103.5 | 80% | 0.802 | 52% | 0.519 | S | S | * | . | G | 310 helix | trans | -70.8 | -12.4 | -173.2 | -52.1 | -55.4 | 0 | 0 | 0 | 115.5 | M1 | M1-D3 VanDerWaalsContact C-N 3.34Å; M1-D3 PolarHBondContact O-N 2.86Å |
| 4 | I | 67.3 | Low | 77.2 | Confident | 52 Ų | 52 | 103.3 Ų | 103.3 | 27% | 0.267 | 53% | 0.529 | S | S | . | . | G | 310 helix | trans | -83.3 | -28.8 | -178.2 | -61.1 | 161.2 | 0 | 0 | 0 | 110.8 | A2 T6 Q11 T54 I56 | A2-I4 PolarHBondContact O-N 3.42Å; A2-I4 VanDerWaalsContact O-N 3.16Å; I4-T6 PolarHBondContact O-N 3.2Å; I4-Q11 PolarHBondContact O-OE1 2.74Å; I4-Q11 VanDerWaalsContact O-OE1 3.1Å; I4-T54 HydrophobicContact CD1-CG2 4.3Å; I4-T54 WeakPolarHBondContact CG2-O 3.26Å; I4-I56 HydrophobicContact CG2-CD1 4.17Å; I4-I56 HydrophobicContact CG2-CG1 4.38Å |
| 5 | Q | 79.2 | Confident | 77.9 | Confident | 67 Ų | 67 | 101.6 Ų | 101.6 | 31% | 0.313 | 53% | 0.525 | S | S | . | . | trans | -89.5 | 83.7 | -171.8 | -177.3 | 61 | 12.7 | 0 | 0 | 110.2 | A2 E7 A9 Y10 Q11 | A2-Q5 PolarHBondContact O-N 2.81Å; Q5-E7 VanDerWaalsContact C-N 3.3Å; Q5-E7 PolarHBondContact NE2-O 3.15Å; Q5-E7 PolarHBondContact O-N 3.06Å; Q5-A9 PolarHBondContact NE2-O 3.22Å; Q5-Y10 VanDerWaalsContact NE2-CA 3.3Å; Q5-Q11 VanDerWaalsContact OE1-CB 3.31Å | ||
| 6 | T | 80.4 | Confident | 78.5 | Confident | 88 Ų | 88 | 97.1 Ų | 97.1 | 54% | 0.54 | 50% | 0.502 | S | S | . | . | trans | -81.7 | -9.3 | -176.3 | 63.1 | 0 | 0 | 0 | 0 | 114.1 | I4 Q11 | I4-T6 PolarHBondContact O-N 3.2Å; T6-Q11 PolarHBondContact OG1-NE2 3.49Å | ||
| 7 | E | 82.4 | Confident | 79 | Confident | 96 Ų | 96 | 99.4 Ų | 99.4 | 45% | 0.449 | 51% | 0.507 | S | S | . | . | S | Bend | trans | -127.9 | 164.7 | -172.5 | -68.7 | 171.7 | -178.4 | 0 | 0 | 110.5 | Q5 A9 Q11 | Q5-E7 VanDerWaalsContact C-N 3.3Å; Q5-E7 PolarHBondContact NE2-O 3.15Å; Q5-E7 PolarHBondContact O-N 3.06Å; E7-A9 VanDerWaalsContact C-N 3.31Å; E7-A9 PolarHBondContact O-N 2.87Å; E7-Q11 VanDerWaalsContact CD-NE2 3.26Å; E7-Q11 PolarHBondContact OE2-NE2 2.87Å; E7-Q11 VanDerWaalsContact OE2-NE2 3.11Å |
| 8 | R | 86.9 | Confident | 79.3 | Confident | 261 Ų | 261 | 98.4 Ų | 98.4 | 99% | 0.985 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -66.9 | -32.5 | 176.9 | -66.3 | -177.1 | 178.1 | 179.6 | -1.4 | 112.7 | ||
| 9 | A | 88.2 | Confident | 79.5 | Confident | 68 Ų | 68 | 100.1 Ų | 100.1 | 56% | 0.562 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -83.6 | 126.7 | -179 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q5 E7 Q11 | Q5-A9 PolarHBondContact NE2-O 3.22Å; E7-A9 VanDerWaalsContact C-N 3.31Å; E7-A9 PolarHBondContact O-N 2.87Å; A9-Q11 PolarHBondContact O-N 2.87Å; A9-Q11 VanDerWaalsContact O-N 3.13Å |
| 10 | Y | 89 | Confident | 79.4 | Confident | 156 Ų | 156 | 100.2 Ų | 100.2 | 61% | 0.612 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -52.8 | 116.8 | -178.6 | -177.3 | -108.2 | 0 | 0 | 0 | 112.4 | Q5 K12 Q18 | Q5-Y10 VanDerWaalsContact NE2-CA 3.3Å; Y10-K12 HydrophobicContact CD1-CB 4.28Å; Y10-K12 HydrophobicContact CD1-CD 4.22Å; Y10-K12 HydrophobicContact CD1-CG 4.43Å; Y10-K12 HydrophobicContact CE1-CB 3.87Å; Y10-K12 HydrophobicContact CE1-CD 4.07Å; Y10-K12 HydrophobicContact CE1-CG 4.37Å; Y10-Q18 VanDerWaalsContact CE1-OE1 3.3Å; Y10-Q18 PolarHBondContact OH-NE2 3.14Å; Y10-Q18 VanDerWaalsContact OH-NE2 3.16Å; Y10-Q18 PolarHBondContact OH-OE1 2.85Å; Y10-Q18 VanDerWaalsContact OH-OE1 3.14Å |
| 11 | Q | 88.7 | Confident | 79.3 | Confident | 20 Ų | 20 | 105.5 Ų | 105.5 | 9% | 0.093 | 53% | 0.527 | C | S | . | . | P | Polyproline II helix | trans | -86.9 | 124 | -178.3 | -63.9 | 179.8 | -12.9 | 0 | 0 | 109.5 | I4 Q5 T6 E7 A9 I56 | I4-Q11 PolarHBondContact O-OE1 2.74Å; I4-Q11 VanDerWaalsContact O-OE1 3.1Å; Q5-Q11 VanDerWaalsContact OE1-CB 3.31Å; T6-Q11 PolarHBondContact OG1-NE2 3.49Å; E7-Q11 VanDerWaalsContact CD-NE2 3.26Å; E7-Q11 PolarHBondContact OE2-NE2 2.87Å; E7-Q11 VanDerWaalsContact OE2-NE2 3.11Å; A9-Q11 PolarHBondContact O-N 2.87Å; A9-Q11 VanDerWaalsContact O-N 3.13Å; Q11-I56 HydrophobicContact CB-CB 4.17Å; Q11-I56 HydrophobicContact CB-CD1 3.79Å; Q11-I56 HydrophobicContact CB-CG2 4.15Å; Q11-I56 WeakPolarHBondContact O-CD1 3.48Å |
| 12 | K | 89.8 | Confident | 80.7 | Confident | 108 Ų | 108 | 107.6 Ų | 107.6 | 47% | 0.47 | 53% | 0.525 | S | S | . | . | trans | -143.8 | 157.4 | 174.2 | 66.6 | -178.2 | -178.1 | -178 | 0 | 111.5 | Y10 | Y10-K12 HydrophobicContact CD1-CB 4.28Å; Y10-K12 HydrophobicContact CD1-CD 4.22Å; Y10-K12 HydrophobicContact CD1-CG 4.43Å; Y10-K12 HydrophobicContact CE1-CB 3.87Å; Y10-K12 HydrophobicContact CE1-CD 4.07Å; Y10-K12 HydrophobicContact CE1-CG 4.37Å | ||
| 13 | Q | 89.8 | Confident | 81.9 | Confident | 17 Ų | 17 | 107.6 Ų | 107.6 | 8% | 0.079 | 52% | 0.516 | C | S | . | . | trans | -76.4 | 125.7 | 168.4 | -70.8 | -170 | -55.7 | 0 | 0 | 109.4 | T15 I16 Y36 T63 | Q13-T15 PolarHBondContact O-N 3.37Å; Q13-I16 HydrophobicContact CB-CB 4.23Å; Q13-I16 HydrophobicContact CB-CG1 4.29Å; Q13-I16 PolarHBondContact O-N 2.66Å; Q13-I16 VanDerWaalsContact O-N 3.15Å; Q13-Y36 PolarHBondContact NE2-O 2.93Å; Q13-T63 PolarHBondContact NE2-O 3.47Å | ||
| 14 | P | 87.3 | Confident | 82.4 | Confident | 101 Ų | 101 | 104.9 Ų | 104.9 | 66% | 0.656 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -26.8 | -175.5 | 26.7 | -34.1 | 0 | 0 | 0 | 112.8 | I16 | P14-I16 VanDerWaalsContact C-N 3.27Å; P14-I16 PolarHBondContact O-N 3.4Å |
| 15 | T | 88.2 | Confident | 82.5 | Confident | 78 Ų | 78 | 108.2 Ų | 108.2 | 48% | 0.479 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -10.5 | 178.1 | 44.1 | 0 | 0 | 0 | 0 | 113.4 | Q13 Y36 | Q13-T15 PolarHBondContact O-N 3.37Å; T15-Y36 HydrophobicContact CG2-CD1 4.39Å; T15-Y36 HydrophobicContact CG2-CE1 4.39Å; T15-Y36 HydrophobicContact CG2-CG 4.46Å; T15-Y36 VanDerWaalsContact OG1-CB 3.27Å; T15-Y36 WeakPolarHBondContact OG1-CB 3.3Å; T15-Y36 WeakPolarHBondContact OG1-CD1 3.45Å |
| 16 | I | 88.1 | Confident | 81.9 | Confident | 29 Ų | 29 | 106 Ų | 106 | 15% | 0.149 | 51% | 0.514 | C | S | . | . | trans | -113.9 | 119 | -176.2 | -63.2 | -158.4 | 0 | 0 | 0 | 110.6 | Q13 P14 Q18 P34 | Q13-I16 HydrophobicContact CB-CB 4.23Å; Q13-I16 HydrophobicContact CB-CG1 4.29Å; Q13-I16 PolarHBondContact O-N 2.66Å; Q13-I16 VanDerWaalsContact O-N 3.15Å; P14-I16 VanDerWaalsContact C-N 3.27Å; P14-I16 PolarHBondContact O-N 3.4Å; I16-Q18 PolarHBondContact O-N 3.18Å; I16-P34 HydrophobicContact CD1-CB 4.19Å; I16-P34 WeakPolarHBondContact CD1-O 3.4Å; I16-P34 HydrophobicContact CG2-CB 4.2Å; I16-P34 HydrophobicContact CG2-CG 3.88Å | ||
| 17 | F | 87 | Confident | 81.3 | Confident | 136 Ų | 136 | 111.8 Ų | 111.8 | 60% | 0.596 | 54% | 0.535 | S | S | * | . | trans | -78.4 | 117.7 | 166.7 | -172.3 | -112.6 | 0 | 0 | 0 | 109.8 | N19 K20 | F17-N19 HydrophobicContact CE1-CB 4.01Å; F17-N19 WeakPolarHBondContact CE1-O 3.28Å; F17-N19 HydrophobicContact CE2-CB 4.31Å; F17-N19 HydrophobicContact CZ-CB 3.73Å; F17-K20 HydrophobicContact CD1-CG 3.96Å; F17-K20 WeakPolarHBondContact O-CE 3.4Å | ||
| 18 | Q | 83.1 | Confident | 80.8 | Confident | 83 Ų | 83 | 112.9 Ų | 112.9 | 39% | 0.388 | 55% | 0.549 | S | S | . | . | trans | -85.6 | -30.5 | -176.4 | -71.8 | 168.2 | -40.8 | 0 | 0 | 112.9 | Y10 I16 K20 | Y10-Q18 VanDerWaalsContact CE1-OE1 3.3Å; Y10-Q18 PolarHBondContact OH-NE2 3.14Å; Y10-Q18 VanDerWaalsContact OH-NE2 3.16Å; Y10-Q18 PolarHBondContact OH-OE1 2.85Å; Y10-Q18 VanDerWaalsContact OH-OE1 3.14Å; I16-Q18 PolarHBondContact O-N 3.18Å; Q18-K20 PolarHBondContact O-N 2.77Å | ||
| 19 | N | 83.6 | Confident | 79.9 | Confident | 129 Ų | 129 | 102.8 Ų | 102.8 | 69% | 0.69 | 53% | 0.526 | S | S | * | . | trans | -85 | 47.8 | -174.6 | -63.9 | -0.5 | 0 | 0 | 0 | 112.1 | F17 | F17-N19 HydrophobicContact CE1-CB 4.01Å; F17-N19 WeakPolarHBondContact CE1-O 3.28Å; F17-N19 HydrophobicContact CE2-CB 4.31Å; F17-N19 HydrophobicContact CZ-CB 3.73Å | ||
| 20 | K | 78.4 | Confident | 78.9 | Confident | 103 Ų | 103 | 107.1 Ų | 107.1 | 45% | 0.448 | 53% | 0.532 | S | S | . | . | trans | -73.6 | 132.4 | 178.3 | -67.6 | -175.9 | -179.2 | -173.9 | 0 | 109.7 | F17 Q18 R22 | F17-K20 HydrophobicContact CD1-CG 3.96Å; F17-K20 WeakPolarHBondContact O-CE 3.4Å; Q18-K20 PolarHBondContact O-N 2.77Å; K20-R22 VanDerWaalsContact C-N 3.32Å | ||
| 21 | K | 76.6 | Confident | 77.9 | Confident | 212 Ų | 212 | 106.1 Ų | 106.1 | 92% | 0.922 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -74.5 | -21.2 | 177.3 | -64.1 | -173.4 | 178.3 | -176.5 | 0 | 113.6 | ||
| 22 | R | 76.9 | Confident | 77 | Confident | 220 Ų | 220 | 112.5 Ų | 112.5 | 83% | 0.83 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -106.2 | 125.7 | 176.3 | -71.3 | -175.9 | 173.4 | -177.1 | -1.9 | 109.4 | K20 | K20-R22 VanDerWaalsContact C-N 3.32Š|
| 23 | V | 70.8 | Confident | 76.3 | Confident | 85 Ų | 85 | 112.8 Ų | 112.8 | 52% | 0.515 | 57% | 0.567 | S | S | . | * | trans | -72.4 | 126.1 | 174.5 | 175.3 | 0 | 0 | 0 | 0 | 108.9 | L25 E31 | V23-L25 PolarHBondContact O-N 2.87Å; V23-E31 HydrophobicContact CG1-CB 4.39Å; V23-E31 HydrophobicContact CG1-CG 3.53Å; V23-E31 WeakPolarHBondContact CG1-OE1 3.35Å; V23-E31 WeakPolarHBondContact CG2-OE1 3.45Å | ||
| 24 | L | 68.9 | Low | 76 | Confident | 93 Ų | 93 | 114.5 Ų | 114.5 | 49% | 0.487 | 58% | 0.579 | S | S | . | * | trans | -86.3 | 109.7 | 172.6 | -66.7 | 172.5 | 0 | 0 | 0 | 108.5 | K32 | L24-K32 PolarHBondContact O-N 2.92Å; L24-K32 VanDerWaalsContact O-N 3.12Å | ||
| 25 | L | 69.6 | Low | 76.1 | Confident | 122 Ų | 122 | 112 Ų | 112 | 64% | 0.639 | 56% | 0.557 | S | S | * | * | B | Isolated β-bridge | trans | -80.6 | 132.5 | 172.5 | -70.2 | 153.8 | 0 | 0 | 0 | 109 | V23 G29 | V23-L25 PolarHBondContact O-N 2.87Å; L25-G29 WeakPolarHBondContact CD2-O 3.47Å |
| 26 | G | 67.1 | Low | 76.3 | Confident | 21 Ų | 21 | 111.8 Ų | 111.8 | 22% | 0.216 | 55% | 0.548 | C | S | . | . | trans | -76.7 | 175.3 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112 | T28 G29 K30 | G26-T28 PolarHBondContact O-N 2.93Å; G26-G29 PolarHBondContact O-N 2.91Å; G26-K30 PolarHBondContact N-O 3.33Å | ||
| 27 | E | 67.7 | Low | 76.6 | Confident | 210 Ų | 210 | 116 Ų | 116 | 98% | 0.981 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.6 | -27.2 | 178.5 | -66.3 | 173.7 | 166 | 0 | 0 | 113.3 | ||
| 28 | T | 72 | Confident | 76.9 | Confident | 118 Ų | 118 | 111.5 Ų | 111.5 | 72% | 0.724 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | 9.5 | 178 | 54.3 | 0 | 0 | 0 | 0 | 113.9 | G26 K30 | G26-T28 PolarHBondContact O-N 2.93Å; T28-K30 PolarHBondContact O-N 2.88Å; T28-K30 VanDerWaalsContact O-N 3.16Å |
| 29 | G | 66.3 | Low | 77.4 | Confident | 50 Ų | 50 | 112.9 Ų | 112.9 | 52% | 0.515 | 55% | 0.553 | S | S | . | * | S | Bend | trans | 70.3 | 4.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | L25 G26 | L25-G29 WeakPolarHBondContact CD2-O 3.47Å; G26-G29 PolarHBondContact O-N 2.91Å |
| 30 | K | 68.8 | Low | 77.8 | Confident | 158 Ų | 158 | 108.2 Ų | 108.2 | 69% | 0.687 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -86.5 | 146.6 | 173.1 | -67.2 | -176.7 | 179.9 | 179.3 | 0 | 110.7 | G26 T28 K32 | G26-K30 PolarHBondContact N-O 3.33Å; T28-K30 PolarHBondContact O-N 2.88Å; T28-K30 VanDerWaalsContact O-N 3.16Å; K30-K32 PolarHBondContact O-N 2.86Å; K30-K32 VanDerWaalsContact O-N 3.09Å |
| 31 | E | 67.8 | Low | 78.5 | Confident | 135 Ų | 135 | 104.7 Ų | 104.7 | 63% | 0.631 | 52% | 0.52 | S | S | * | . | B | Isolated β-bridge | trans | -57.9 | 116.1 | 172.5 | -65.7 | -161.1 | 146 | 0 | 0 | 109.9 | V23 | V23-E31 HydrophobicContact CG1-CB 4.39Å; V23-E31 HydrophobicContact CG1-CG 3.53Å; V23-E31 WeakPolarHBondContact CG1-OE1 3.35Å; V23-E31 WeakPolarHBondContact CG2-OE1 3.45Å |
| 32 | K | 69.8 | Low | 79.2 | Confident | 154 Ų | 154 | 99.7 Ų | 99.7 | 67% | 0.67 | 50% | 0.503 | S | S | * | . | trans | -92.8 | 110 | 175.8 | -169.2 | 173.8 | -175.8 | 173.6 | 0 | 108 | L24 K30 P34 | L24-K32 PolarHBondContact O-N 2.92Å; L24-K32 VanDerWaalsContact O-N 3.12Å; K30-K32 PolarHBondContact O-N 2.86Å; K30-K32 VanDerWaalsContact O-N 3.09Å; K32-P34 WeakPolarHBondContact O-CD 3.33Å; K32-P34 VanDerWaalsContact O-N 3.12Å | ||
| 33 | L | 74.8 | Confident | 79.9 | Confident | 114 Ų | 114 | 93.1 Ų | 93.1 | 60% | 0.597 | 50% | 0.504 | S | S | * | . | trans | -58.5 | 119.5 | 172 | -69.8 | 174.2 | 0 | 0 | 0 | 108.6 | M1 R35 | M1-L33 HydrophobicContact CE-CD1 3.95Å; M1-L33 HydrophobicContact CE-CD2 4.35Å; L33-R35 PolarHBondContact O-N 2.85Å | ||
| 34 | P | 82.9 | Confident | 81 | Confident | 53 Ų | 53 | 90.6 Ų | 90.6 | 34% | 0.344 | 49% | 0.486 | S | S | . | . | trans | -64.6 | 126 | 179.3 | 26.4 | -32.7 | 0 | 0 | 0 | 108.2 | I16 K32 | I16-P34 HydrophobicContact CD1-CB 4.19Å; I16-P34 WeakPolarHBondContact CD1-O 3.4Å; I16-P34 HydrophobicContact CG2-CB 4.2Å; I16-P34 HydrophobicContact CG2-CG 3.88Å; K32-P34 WeakPolarHBondContact O-CD 3.33Å; K32-P34 VanDerWaalsContact O-N 3.12Å | ||
| 35 | R | 89.3 | Confident | 82.2 | Confident | 50 Ų | 50 | 95.2 Ų | 95.2 | 19% | 0.189 | 50% | 0.502 | C | S | . | . | trans | -125 | 133.8 | 177.3 | -176.3 | 172.3 | -180 | 85.4 | -9.7 | 110.7 | L33 A50 I51 G53 Y55 | L33-R35 PolarHBondContact O-N 2.85Å; R35-A50 PolarHBondContact NE-O 2.8Å; R35-I51 WeakPolarHBondContact CD-O 3.21Å; R35-G53 WeakPolarHBondContact CD-O 3.34Å; R35-G53 PolarHBondContact NE-O 3.03Å; R35-G53 PolarHBondContact NH1-O 2.77Å; R35-G53 PolarHBondContact NH2-O 2.9Å; R35-Y55 PolarHBondContact NH1-O 2.76Å; R35-Y55 VanDerWaalsContact NH2-CE1 3.29Å; R35-Y55 PolarHBondContact NH2-O 2.96Å | ||
| 36 | Y | 92.5 | Very high | 83.4 | Confident | 73 Ų | 73 | 91.3 Ų | 91.3 | 29% | 0.286 | 48% | 0.483 | S | S | . | . | trans | -92.3 | 123.5 | 177.6 | 174.2 | -100.6 | 0 | 0 | 0 | 108.1 | Q13 T15 | Q13-Y36 PolarHBondContact NE2-O 2.93Å; T15-Y36 HydrophobicContact CG2-CD1 4.39Å; T15-Y36 HydrophobicContact CG2-CE1 4.39Å; T15-Y36 HydrophobicContact CG2-CG 4.46Å; T15-Y36 VanDerWaalsContact OG1-CB 3.27Å; T15-Y36 WeakPolarHBondContact OG1-CB 3.3Å; T15-Y36 WeakPolarHBondContact OG1-CD1 3.45Å | ||
| 37 | Y | 93.9 | Very high | 84.7 | Confident | 116 Ų | 116 | 91 Ų | 91 | 46% | 0.455 | 48% | 0.478 | S | S | . | . | trans | -138.2 | 157.1 | 168.6 | 66.3 | -86.3 | 0 | 0 | 0 | 107.6 | I51 F62 | Y37-I51 HydrophobicContact CD1-CG2 4.34Å; Y37-I51 HydrophobicContact CD2-CG1 3.97Å; Y37-I51 HydrophobicContact CE1-CG2 4.07Å; Y37-I51 HydrophobicContact CE2-CG1 4.16Å; Y37-I51 HydrophobicContact CG-CG1 4.17Å; Y37-F62 CarbonylContact C-O 3.58Å; Y37-F62 VanDerWaalsContact CA-O 3.3Å; Y37-F62 WeakPolarHBondContact CA-O 3.34Å | ||
| 38 | K | 93.6 | Very high | 85.9 | Confident | 43 Ų | 43 | 88.3 Ų | 88.3 | 19% | 0.187 | 46% | 0.463 | C | S | . | . | trans | -137.1 | 153.5 | 175.8 | 68 | 176.9 | 179.9 | -179.2 | 0 | 110.9 | T46 P61 F62 G64 V66 | K38-T46 WeakPolarHBondContact O-CG2 3.36Å; K38-P61 WeakPolarHBondContact CE-O 3.39Å; K38-F62 WeakPolarHBondContact CG-O 3.48Å; K38-F62 PolarHBondContact N-O 3.05Å; K38-G64 WeakPolarHBondContact CE-O 3.45Å; K38-G64 PolarHBondContact NZ-O 3.42Å; K38-V66 WeakPolarHBondContact CE-O 3.39Å; K38-V66 PolarHBondContact NZ-O 2.87Å | ||
| 39 | N | 94.4 | Very high | 86.8 | Confident | 111 Ų | 111 | 86.7 Ų | 86.7 | 59% | 0.594 | 45% | 0.447 | S | S | * | . | trans | -80.1 | 131.4 | 164.7 | -167.7 | -18.2 | 0 | 0 | 0 | 109.1 | G41 T46 | N39-G41 PolarHBondContact OD1-N 3.26Å; N39-T46 HydrophobicContact CB-CG2 4.19Å | ||
| 40 | I | 92.9 | Very high | 88 | Confident | 31 Ų | 31 | 84.3 Ų | 84.3 | 16% | 0.159 | 42% | 0.422 | C | S | . | . | trans | -80 | -23.7 | 178.3 | -59.4 | 168.5 | 0 | 0 | 0 | 110.8 | P61 F62 I68 L143 | I40-P61 HydrophobicContact CD1-CB 3.54Å; I40-P61 HydrophobicContact CD1-CG 3.81Å; I40-P61 HydrophobicContact CG1-CB 4.3Å; I40-P61 WeakPolarHBondContact CG1-O 3.38Å; I40-F62 HydrophobicContact CD1-CD1 3.41Å; I40-F62 VanDerWaalsContact CD1-CD1 3.41Å; I40-F62 HydrophobicContact CD1-CD2 4.32Å; I40-F62 HydrophobicContact CD1-CE1 3.13Å; I40-F62 HydrophobicContact CD1-CE2 4.06Å; I40-F62 HydrophobicContact CD1-CG 4.01Å; I40-F62 HydrophobicContact CD1-CZ 3.48Å; I40-F62 VanDerWaalsContact CD1-CZ 3.48Å; I40-F62 HydrophobicContact CG1-CD1 3.79Å; I40-F62 HydrophobicContact CG1-CE1 3.85Å; I40-I68 HydrophobicContact CD1-CG1 4.48Å; I40-I68 HydrophobicContact CG2-CB 3.7Å; I40-I68 HydrophobicContact CG2-CG1 3.67Å; I40-I68 HydrophobicContact CG2-CG2 4.45Å; I40-L143 HydrophobicContact CD1-CD2 3.92Å | ||
| 41 | G | 92.3 | Very high | 89.1 | Confident | 29 Ų | 29 | 79.6 Ų | 79.6 | 30% | 0.299 | 40% | 0.404 | S | S | . | . | trans | 80.8 | -154.1 | -170.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | N39 G43 F44 | N39-G41 PolarHBondContact OD1-N 3.26Å; G41-G43 PolarHBondContact O-N 2.85Å; G41-G43 VanDerWaalsContact O-N 3.14Å; G41-F44 PolarHBondContact O-N 2.86Å | ||
| 42 | L | 91.3 | Very high | 90.1 | Very high | 108 Ų | 108 | 80.5 Ų | 80.5 | 57% | 0.565 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 25.5 | 177.3 | -52.8 | 169.6 | 0 | 0 | 0 | 114.1 | F44 I68 I72 | L42-F44 VanDerWaalsContact C-N 3.29Å; L42-F44 HydrophobicContact CB-CD2 3.99Å; L42-F44 HydrophobicContact CB-CE2 4.16Å; L42-F44 WeakPolarHBondContact O-CD2 3.16Å; L42-F44 PolarHBondContact O-N 3.02Å; L42-I68 HydrophobicContact CD1-CG2 4.17Å; L42-I72 HydrophobicContact CB-CD1 4.45Å; L42-I72 HydrophobicContact CD1-CD1 4.15Å |
| 43 | G | 92.2 | Very high | 91 | Very high | 81 Ų | 81 | 73.8 Ų | 73.8 | 84% | 0.835 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.4 | 6.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | G41 | G41-G43 PolarHBondContact O-N 2.85Å; G41-G43 VanDerWaalsContact O-N 3.14Å |
| 44 | F | 93.9 | Very high | 91.6 | Very high | 33 Ų | 33 | 72.1 Ų | 72.1 | 15% | 0.145 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -86.9 | 136.5 | 176.2 | -66.4 | -79.1 | 0 | 0 | 0 | 111.8 | G41 L42 I72 T127 L143 K144 | G41-F44 PolarHBondContact O-N 2.86Å; L42-F44 VanDerWaalsContact C-N 3.29Å; L42-F44 HydrophobicContact CB-CD2 3.99Å; L42-F44 HydrophobicContact CB-CE2 4.16Å; L42-F44 WeakPolarHBondContact O-CD2 3.16Å; L42-F44 PolarHBondContact O-N 3.02Å; F44-I72 HydrophobicContact CE2-CD1 3.91Å; F44-I72 HydrophobicContact CZ-CD1 4.44Å; F44-I72 HydrophobicContact CZ-CG2 4.15Å; F44-T127 HydrophobicContact CE1-CG2 3.9Å; F44-T127 HydrophobicContact CZ-CG2 3.8Å; F44-L143 HydrophobicContact CD1-CB 3.94Å; F44-L143 HydrophobicContact CD2-CD1 3.89Å; F44-L143 HydrophobicContact CE1-CB 3.96Å; F44-L143 HydrophobicContact CE1-CD1 4.29Å; F44-L143 HydrophobicContact CE2-CD1 3.52Å; F44-L143 HydrophobicContact CG-CB 4.23Å; F44-L143 HydrophobicContact CG-CD1 4.42Å; F44-L143 HydrophobicContact CZ-CB 4.26Å; F44-L143 HydrophobicContact CZ-CD1 3.74Å; F44-K144 HydrophobicContact CD1-CB 4.11Å; F44-K144 HydrophobicContact CE1-CB 4.07Å |
| 45 | K | 93.7 | Very high | 92 | Very high | 189 Ų | 189 | 70.4 Ų | 70.4 | 82% | 0.822 | 36% | 0.364 | S | S | * | . | P | Polyproline II helix | trans | -81.5 | 140.5 | 172.1 | -64.1 | -173.2 | 179 | -175.7 | 0 | 110 | ||
| 46 | T | 94.4 | Very high | 92.1 | Very high | 40 Ų | 40 | 69.2 Ų | 69.2 | 25% | 0.245 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 125.9 | 171.3 | 49.6 | 0 | 0 | 0 | 0 | 109.8 | K38 N39 F62 | K38-T46 WeakPolarHBondContact O-CG2 3.36Å; N39-T46 HydrophobicContact CB-CG2 4.19Å; T46-F62 HydrophobicContact CG2-CD1 4.01Å; T46-F62 HydrophobicContact CG2-CE1 4.38Å |
| 47 | P | 93.9 | Very high | 92.1 | Very high | 16 Ų | 16 | 66.3 Ų | 66.3 | 10% | 0.104 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 144.5 | 176.7 | -23.8 | 33.2 | 0 | 0 | 0 | 111.9 | E49 A50 F62 C116 F117 | P47-E49 VanDerWaalsContact C-N 3.26Å; P47-E49 PolarHBondContact O-N 2.96Å; P47-A50 HydrophobicContact CB-CB 4.26Å; P47-A50 VanDerWaalsContact O-CB 3.32Å; P47-A50 WeakPolarHBondContact O-CB 3.5Å; P47-A50 PolarHBondContact O-N 2.87Å; P47-F62 VanDerWaalsContact CD-CE1 3.41Å; P47-F62 HydrophobicContact CG-CD2 4.16Å; P47-F62 HydrophobicContact CG-CE1 4.4Å; P47-F62 HydrophobicContact CG-CE2 3.75Å; P47-F62 HydrophobicContact CG-CZ 3.89Å; P47-C116 HydrophobicContact CB-CB 4.14Å; P47-C116 HydrophobicContact CG-CB 4.35Å; P47-F117 HydrophobicContact CB-CE1 4.39Å; P47-F117 HydrophobicContact CG-CE1 3.62Å; P47-F117 HydrophobicContact CG-CE2 4.45Å; P47-F117 HydrophobicContact CG-CZ 3.57Å |
| 48 | K | 92.2 | Very high | 92.1 | Very high | 152 Ų | 152 | 68 Ų | 68 | 66% | 0.661 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -61.3 | -39.7 | 177.5 | -71.3 | -176.2 | 175.1 | -174.4 | 0 | 111 | A50 I51 E52 | K48-A50 PolarHBondContact O-N 2.98Å; K48-I51 WeakPolarHBondContact O-CA 3.44Å; K48-I51 WeakPolarHBondContact O-CB 3.44Å; K48-I51 PolarHBondContact O-N 3.34Å; K48-E52 PolarHBondContact O-N 3.44Å |
| 49 | E | 91.4 | Very high | 92.2 | Very high | 85 Ų | 85 | 70.2 Ų | 70.2 | 40% | 0.397 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.4 | -25.6 | 177 | -62.7 | 71.4 | -157.7 | 0 | 0 | 112.1 | P47 G53 Y55 C116 | P47-E49 VanDerWaalsContact C-N 3.26Å; P47-E49 PolarHBondContact O-N 2.96Å; E49-G53 WeakPolarHBondContact O-CA 3.21Å; E49-G53 PolarHBondContact O-N 3.49Å; E49-Y55 WeakPolarHBondContact O-CE1 3.29Å; E49-C116 HydrophobicContact CB-CB 4.16Å; E49-C116 WeakPolarHBondContact CB-O 3.35Å |
| 50 | A | 91.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -73.4 | -31.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | R35 P47 K48 F62 T63 C116 | R35-A50 PolarHBondContact NE-O 2.8Å; P47-A50 HydrophobicContact CB-CB 4.26Å; P47-A50 VanDerWaalsContact O-CB 3.32Å; P47-A50 WeakPolarHBondContact O-CB 3.5Å; P47-A50 PolarHBondContact O-N 2.87Å; K48-A50 PolarHBondContact O-N 2.98Å; A50-F62 HydrophobicContact CB-CB 3.86Å; A50-F62 HydrophobicContact CB-CG 4.3Å; A50-T63 HydrophobicContact CB-CG2 4.1Å; A50-T63 WeakPolarHBondContact O-CG2 3.28Å; A50-C116 HydrophobicContact CB-CB 4.1Å |
| 51 | I | 91.9 | Very high | 92.4 | Very high | 58 Ų | 58 | 63.5 Ų | 63.5 | 30% | 0.297 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -83 | -44.4 | -178.4 | -59.3 | 169.3 | 0 | 0 | 0 | 111.1 | R35 Y37 K48 | R35-I51 WeakPolarHBondContact CD-O 3.21Å; Y37-I51 HydrophobicContact CD1-CG2 4.34Å; Y37-I51 HydrophobicContact CD2-CG1 3.97Å; Y37-I51 HydrophobicContact CE1-CG2 4.07Å; Y37-I51 HydrophobicContact CE2-CG1 4.16Å; Y37-I51 HydrophobicContact CG-CG1 4.17Å; K48-I51 WeakPolarHBondContact O-CA 3.44Å; K48-I51 WeakPolarHBondContact O-CB 3.44Å; K48-I51 PolarHBondContact O-N 3.34Å |
| 52 | E | 89 | Confident | 92.5 | Very high | 154 Ų | 154 | 62.2 Ų | 62.2 | 72% | 0.72 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -103 | -19.5 | -171.9 | -65.6 | 170.2 | -168.4 | 0 | 0 | 113 | K48 | K48-E52 PolarHBondContact O-N 3.44Å |
| 53 | G | 87.8 | Confident | 92.6 | Very high | 14 Ų | 14 | 57.2 Ų | 57.2 | 14% | 0.144 | 30% | 0.295 | C | S | . | . | trans | -69.3 | 160.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | R35 E49 | R35-G53 WeakPolarHBondContact CD-O 3.34Å; R35-G53 PolarHBondContact NE-O 3.03Å; R35-G53 PolarHBondContact NH1-O 2.77Å; R35-G53 PolarHBondContact NH2-O 2.9Å; E49-G53 WeakPolarHBondContact O-CA 3.21Å; E49-G53 PolarHBondContact O-N 3.49Å | ||
| 54 | T | 88.4 | Confident | 92.6 | Very high | 78 Ų | 78 | 53.6 Ų | 53.6 | 48% | 0.479 | 26% | 0.258 | S | S | . | . | trans | -101.7 | -3.4 | -177.2 | 51.9 | 0 | 0 | 0 | 0 | 113.9 | I4 | I4-T54 HydrophobicContact CD1-CG2 4.3Å; I4-T54 WeakPolarHBondContact CG2-O 3.26Å | ||
| 55 | Y | 90.8 | Very high | 92.6 | Very high | 17 Ų | 17 | 57.5 Ų | 57.5 | 7% | 0.067 | 28% | 0.28 | C | S | . | . | trans | -66.6 | 150.3 | -176.4 | 75.1 | -90.3 | 0 | 0 | 0 | 112.5 | R35 E49 D57 C60 T63 P115 C116 | R35-Y55 PolarHBondContact NH1-O 2.76Å; R35-Y55 VanDerWaalsContact NH2-CE1 3.29Å; R35-Y55 PolarHBondContact NH2-O 2.96Å; E49-Y55 WeakPolarHBondContact O-CE1 3.29Å; Y55-D57 HydrophobicContact CD2-CB 3.88Å; Y55-D57 HydrophobicContact CE2-CB 3.92Å; Y55-C60 HydrophobicContact CE2-CB 4.5Å; Y55-C60 PolarHBondContact OH-SG 3.01Å; Y55-T63 PolarHBondContact OH-OG1 2.84Å; Y55-P115 HydrophobicContact CD1-CB 4.19Å; Y55-P115 HydrophobicContact CD2-CB 3.77Å; Y55-P115 HydrophobicContact CD2-CG 3.75Å; Y55-P115 HydrophobicContact CE2-CB 4.31Å; Y55-P115 HydrophobicContact CE2-CG 4.31Å; Y55-P115 HydrophobicContact CG-CB 3.72Å; Y55-P115 HydrophobicContact CG-CG 4.15Å; Y55-C116 HydrophobicContact CE1-CB 3.95Å; Y55-C116 WeakPolarHBondContact OH-CB 3.49Å | ||
| 56 | I | 91.9 | Very high | 92.6 | Very high | 25 Ų | 25 | 48.6 Ų | 48.6 | 13% | 0.128 | 24% | 0.242 | C | C | . | . | trans | -117.8 | 118.1 | 176.8 | -58.3 | 174.9 | 0 | 0 | 0 | 109 | I4 Q11 R84 | I4-I56 HydrophobicContact CG2-CD1 4.17Å; I4-I56 HydrophobicContact CG2-CG1 4.38Å; Q11-I56 HydrophobicContact CB-CB 4.17Å; Q11-I56 HydrophobicContact CB-CD1 3.79Å; Q11-I56 HydrophobicContact CB-CG2 4.15Å; Q11-I56 WeakPolarHBondContact O-CD1 3.48Å; I56-R84 PolarHBondContact O-NH1 3.27Å | ||
| 57 | D | 92.6 | Very high | 92.7 | Very high | 12 Ų | 12 | 49.6 Ų | 49.6 | 6% | 0.064 | 25% | 0.25 | C | S | . | . | trans | -145.9 | 106.4 | -178.5 | 179.7 | 17 | 0 | 0 | 0 | 110.8 | Y55 K59 C60 H112 S114 P115 | Y55-D57 HydrophobicContact CD2-CB 3.88Å; Y55-D57 HydrophobicContact CE2-CB 3.92Å; D57-K59 PolarHBondContact O-N 3.43Å; D57-K59 WeakPolarHBondContact OD1-CB 3.5Å; D57-K59 PolarHBondContact OD1-N 3.1Å; D57-C60 HydrophobicContact CB-CB 4Å; D57-C60 VanDerWaalsContact O-CB 3.32Å; D57-C60 WeakPolarHBondContact O-CB 3.46Å; D57-C60 PolarHBondContact O-N 3.38Å; D57-C60 PolarHBondContact OD2-N 2.89Å; D57-H112 IonicContact OD1-CE1 3.71Å; D57-H112 IonicContact OD1-NE2 2.98Å; D57-H112 PolarHBondContact OD1-NE2 3.04Å; D57-H112 IonicContact OD2-CD2 3.49Å; D57-H112 IonicContact OD2-CE1 3.63Å; D57-H112 IonicContact OD2-NE2 3.34Å; D57-H112 PolarHBondContact OD2-NE2 3.28Å; D57-S114 PolarHBondContact OD2-OG 2.81Å; D57-P115 WeakPolarHBondContact OD2-CD 3.14Å | ||
| 58 | K | 92.9 | Very high | 92.8 | Very high | 153 Ų | 153 | 49.9 Ų | 49.9 | 67% | 0.665 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -22.2 | 179.3 | -61.1 | 178.7 | -175.9 | 175.1 | 0 | 112.5 | ||
| 59 | K | 95.4 | Very high | 93 | Very high | 89 Ų | 89 | 48.4 Ų | 48.4 | 39% | 0.387 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -6.5 | -178.5 | -67 | -179.9 | -175.1 | 179.8 | 0 | 112.7 | D57 V66 H112 L134 N141 | D57-K59 PolarHBondContact O-N 3.43Å; D57-K59 WeakPolarHBondContact OD1-CB 3.5Å; D57-K59 PolarHBondContact OD1-N 3.1Å; K59-V66 WeakPolarHBondContact O-CG2 3.4Å; K59-H112 WeakPolarHBondContact CB-NE2 3.47Å; K59-H112 PolarHBondContact O-CD2 2.9Å; K59-L134 HydrophobicContact CB-CD1 4.05Å; K59-L134 HydrophobicContact CD-CB 4.33Å; K59-L134 HydrophobicContact CD-CD1 4.4Å; K59-L134 HydrophobicContact CG-CD1 4.29Å; K59-L134 HydrophobicContact CG-CD2 4.41Å; K59-N141 PolarHBondContact O-ND2 3.16Å |
| 60 | C | 95.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | -62.8 | 136.6 | 176.9 | -177.2 | 0 | 0 | 0 | 0 | 111 | Y55 D57 F62 T63 G64 S114 | Y55-C60 HydrophobicContact CE2-CB 4.5Å; Y55-C60 PolarHBondContact OH-SG 3.01Å; D57-C60 HydrophobicContact CB-CB 4Å; D57-C60 VanDerWaalsContact O-CB 3.32Å; D57-C60 WeakPolarHBondContact O-CB 3.46Å; D57-C60 PolarHBondContact O-N 3.38Å; D57-C60 PolarHBondContact OD2-N 2.89Å; C60-F62 VanDerWaalsContact C-N 3.3Å; C60-F62 PolarHBondContact SG-N 2.87Å; C60-T63 VanDerWaalsContact CB-OG1 3.25Å; C60-T63 WeakPolarHBondContact CB-OG1 3.47Å; C60-T63 PolarHBondContact SG-N 3.39Å; C60-T63 PolarHBondContact SG-OG1 2.89Å; C60-G64 VanDerWaalsContact O-CA 3.29Å; C60-G64 WeakPolarHBondContact O-CA 3.38Å; C60-G64 PolarHBondContact O-N 2.82Å; C60-G64 VanDerWaalsContact O-N 3.13Å; C60-S114 WeakPolarHBondContact CB-OG 3.2Å; C60-S114 PolarHBondContact SG-OG 2.89Å | ||
| 61 | P | 95.9 | Very high | 93.4 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -18.2 | 175.3 | 35.2 | -36.2 | 0 | 0 | 0 | 112.9 | K38 I40 I68 N141 L143 | K38-P61 WeakPolarHBondContact CE-O 3.39Å; I40-P61 HydrophobicContact CD1-CB 3.54Å; I40-P61 HydrophobicContact CD1-CG 3.81Å; I40-P61 HydrophobicContact CG1-CB 4.3Å; I40-P61 WeakPolarHBondContact CG1-O 3.38Å; P61-I68 HydrophobicContact CB-CD1 3.92Å; P61-I68 HydrophobicContact CB-CG1 3.91Å; P61-N141 HydrophobicContact CB-CB 4.49Å; P61-N141 WeakPolarHBondContact CD-ND2 3.04Å; P61-N141 HydrophobicContact CG-CB 4.22Å; P61-L143 HydrophobicContact CG-CD2 4.33Å |
| 62 | F | 95.5 | Very high | 93.6 | Very high | 1 Ų | 1 | 56.6 Ų | 56.6 | 0% | 0.004 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -41.5 | 179.3 | -55 | -76.5 | 0 | 0 | 0 | 113.6 | Y37 K38 I40 T46 P47 A50 C60 F117 | Y37-F62 CarbonylContact C-O 3.58Å; Y37-F62 VanDerWaalsContact CA-O 3.3Å; Y37-F62 WeakPolarHBondContact CA-O 3.34Å; K38-F62 WeakPolarHBondContact CG-O 3.48Å; K38-F62 PolarHBondContact N-O 3.05Å; I40-F62 HydrophobicContact CD1-CD1 3.41Å; I40-F62 VanDerWaalsContact CD1-CD1 3.41Å; I40-F62 HydrophobicContact CD1-CD2 4.32Å; I40-F62 HydrophobicContact CD1-CE1 3.13Å; I40-F62 HydrophobicContact CD1-CE2 4.06Å; I40-F62 HydrophobicContact CD1-CG 4.01Å; I40-F62 HydrophobicContact CD1-CZ 3.48Å; I40-F62 VanDerWaalsContact CD1-CZ 3.48Å; I40-F62 HydrophobicContact CG1-CD1 3.79Å; I40-F62 HydrophobicContact CG1-CE1 3.85Å; T46-F62 HydrophobicContact CG2-CD1 4.01Å; T46-F62 HydrophobicContact CG2-CE1 4.38Å; P47-F62 VanDerWaalsContact CD-CE1 3.41Å; P47-F62 HydrophobicContact CG-CD2 4.16Å; P47-F62 HydrophobicContact CG-CE1 4.4Å; P47-F62 HydrophobicContact CG-CE2 3.75Å; P47-F62 HydrophobicContact CG-CZ 3.89Å; A50-F62 HydrophobicContact CB-CB 3.86Å; A50-F62 HydrophobicContact CB-CG 4.3Å; C60-F62 VanDerWaalsContact C-N 3.3Å; C60-F62 PolarHBondContact SG-N 2.87Å; F62-F117 AromaticContact CE2-CE2 3.82Å; F62-F117 HydrophobicContact CE2-CE2 3.82Å; F62-F117 AromaticContact CE2-CZ 3.76Å; F62-F117 HydrophobicContact CE2-CZ 3.76Å; F62-F117 HydrophobicContact CZ-CZ 4.19Å |
| 63 | T | 94 | Very high | 93.9 | Very high | 4 Ų | 4 | 50.7 Ų | 50.7 | 3% | 0.025 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | -2.8 | -173.1 | 59.5 | 0 | 0 | 0 | 0 | 113.3 | Q13 A50 Y55 C60 | Q13-T63 PolarHBondContact NE2-O 3.47Å; A50-T63 HydrophobicContact CB-CG2 4.1Å; A50-T63 WeakPolarHBondContact O-CG2 3.28Å; Y55-T63 PolarHBondContact OH-OG1 2.84Å; C60-T63 VanDerWaalsContact CB-OG1 3.25Å; C60-T63 WeakPolarHBondContact CB-OG1 3.47Å; C60-T63 PolarHBondContact SG-N 3.39Å; C60-T63 PolarHBondContact SG-OG1 2.89Å |
| 64 | G | 91.8 | Very high | 94.2 | Very high | 5 Ų | 5 | 51.8 Ų | 51.8 | 5% | 0.052 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -113.3 | 176.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | K38 C60 V66 | K38-G64 WeakPolarHBondContact CE-O 3.45Å; K38-G64 PolarHBondContact NZ-O 3.42Å; C60-G64 VanDerWaalsContact O-CA 3.29Å; C60-G64 WeakPolarHBondContact O-CA 3.38Å; C60-G64 PolarHBondContact O-N 2.82Å; C60-G64 VanDerWaalsContact O-N 3.13Å; G64-V66 PolarHBondContact O-N 3.38Å |
| 65 | N | 92.9 | Very high | 94.5 | Very high | 115 Ų | 115 | 48.1 Ų | 48.1 | 62% | 0.615 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -91 | 50.3 | 174.8 | -167.1 | 15.9 | 0 | 0 | 0 | 111.6 | R132 | N65-R132 PolarHBondContact O-NH2 2.88Å; N65-R132 VanDerWaalsContact O-NH2 3.13Å |
| 66 | V | 95.1 | Very high | 94.6 | Very high | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.012 | 25% | 0.251 | C | S | . | . | trans | -107.5 | 124.1 | 173.7 | 179.4 | 0 | 0 | 0 | 0 | 108.7 | K38 K59 G64 C131 L134 | K38-V66 WeakPolarHBondContact CE-O 3.39Å; K38-V66 PolarHBondContact NZ-O 2.87Å; K59-V66 WeakPolarHBondContact O-CG2 3.4Å; G64-V66 PolarHBondContact O-N 3.38Å; V66-C131 HydrophobicContact CG1-CB 3.73Å; V66-L134 HydrophobicContact CG1-CD2 4.48Å; V66-L134 HydrophobicContact CG2-CD2 4.02Å | ||
| 67 | S | 95.3 | Very high | 94.7 | Very high | 61 Ų | 61 | 47.6 Ų | 47.6 | 43% | 0.427 | 25% | 0.245 | S | C | . | . | trans | -92.9 | 143 | 172.2 | 55.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 68 | I | 97.1 | Very high | 94.7 | Very high | 21 Ų | 21 | 49.2 Ų | 49.2 | 11% | 0.108 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 130.3 | 174.3 | -59 | -63.9 | 0 | 0 | 0 | 107.4 | I40 L42 P61 E130 C131 N141 L143 | I40-I68 HydrophobicContact CD1-CG1 4.48Å; I40-I68 HydrophobicContact CG2-CB 3.7Å; I40-I68 HydrophobicContact CG2-CG1 3.67Å; I40-I68 HydrophobicContact CG2-CG2 4.45Å; L42-I68 HydrophobicContact CD1-CG2 4.17Å; P61-I68 HydrophobicContact CB-CD1 3.92Å; P61-I68 HydrophobicContact CB-CG1 3.91Å; I68-E130 WeakPolarHBondContact CA-O 3.41Å; I68-C131 HydrophobicContact CD1-CB 4Å; I68-N141 HydrophobicContact CD1-CB 3.94Å; I68-L143 HydrophobicContact CD1-CD2 3.91Å; I68-L143 HydrophobicContact CG1-CD2 3.77Å; I68-L143 HydrophobicContact CG2-CD1 4.11Å; I68-L143 HydrophobicContact CG2-CD2 4.35Å |
| 69 | R | 95.1 | Very high | 94.8 | Very high | 122 Ų | 122 | 48 Ų | 48 | 46% | 0.46 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 156.5 | -176.6 | 64.8 | -177.1 | -176 | -81.6 | 2 | 110.4 | E130 | R69-E130 PolarHBondContact N-O 2.8Å; R69-E130 CarbonylContact O-C 3.57Å; R69-E130 WeakPolarHBondContact O-CB 3.35Å; R69-E130 WeakPolarHBondContact O-CG 3.44Å; R69-E130 VanDerWaalsContact O-O 3.05Å |
| 70 | G | 95.3 | Very high | 94.7 | Very high | 66 Ų | 66 | 47.7 Ų | 47.7 | 68% | 0.68 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 75.5 | -127.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 71 | R | 96.5 | Very high | 94.6 | Very high | 174 Ų | 174 | 57.1 Ų | 57.1 | 66% | 0.657 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 129.7 | -166.3 | -62.4 | 174.1 | 178.8 | 175.9 | 0.1 | 112.1 | L73 E130 F140 | R71-L73 HydrophobicContact CB-CD2 4.22Å; R71-L73 HydrophobicContact CB-CG 4.3Å; R71-E130 HydrophobicContact CB-CB 4.34Å; R71-E130 WeakPolarHBondContact CB-OE2 3.49Å; R71-E130 WeakPolarHBondContact CG-OE2 3.32Å; R71-E130 PolarHBondContact N-OE2 2.89Å; R71-E130 WeakPolarHBondContact O-CB 3.09Å; R71-E130 PolarHBondContact O-N 2.97Å; R71-F140 HydrophobicContact CB-CE1 4.46Å |
| 72 | I | 96.8 | Very high | 94.6 | Very high | 74 Ų | 74 | 62 Ų | 62 | 38% | 0.379 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 128.5 | 164.3 | -63.8 | 163.5 | 0 | 0 | 0 | 107.9 | L42 F44 T127 V128 | L42-I72 HydrophobicContact CB-CD1 4.45Å; L42-I72 HydrophobicContact CD1-CD1 4.15Å; F44-I72 HydrophobicContact CE2-CD1 3.91Å; F44-I72 HydrophobicContact CZ-CD1 4.44Å; F44-I72 HydrophobicContact CZ-CG2 4.15Å; I72-T127 HydrophobicContact CG2-CG2 3.53Å; I72-V128 CarbonylContact C-O 3.57Å; I72-V128 WeakPolarHBondContact CA-O 3.26Å |
| 73 | L | 95.7 | Very high | 94.4 | Very high | 31 Ų | 31 | 68.6 Ų | 68.6 | 16% | 0.162 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 152.8 | -172.6 | -55.5 | 178.7 | 0 | 0 | 0 | 110 | R71 R90 M109 T127 V128 F140 | R71-L73 HydrophobicContact CB-CD2 4.22Å; R71-L73 HydrophobicContact CB-CG 4.3Å; L73-R90 VanDerWaalsContact CB-NH1 3.34Å; L73-R90 VanDerWaalsContact CG-NH1 3.35Å; L73-M109 HydrophobicContact CD1-CE 4.01Å; L73-M109 HydrophobicContact CD1-SD 4.13Å; L73-T127 CarbonylContact O-C 3.5Å; L73-T127 WeakPolarHBondContact O-CA 3.44Å; L73-V128 HydrophobicContact CB-CG2 3.9Å; L73-V128 PolarHBondContact N-O 2.57Å; L73-V128 WeakPolarHBondContact O-CG2 3.48Å; L73-V128 PolarHBondContact O-N 2.96Å; L73-F140 HydrophobicContact CD1-CD1 4.47Å; L73-F140 HydrophobicContact CD1-CE1 3.63Å; L73-F140 HydrophobicContact CD1-CZ 3.82Å; L73-F140 HydrophobicContact CG-CE1 4.23Å |
| 74 | S | 94.6 | Very high | 94.4 | Very high | 37 Ų | 37 | 71.7 Ų | 71.7 | 26% | 0.259 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 142.9 | 172.1 | -61 | 0 | 0 | 0 | 0 | 110.1 | R90 V126 | S74-R90 WeakPolarHBondContact O-CD 3.12Å; S74-R90 WeakPolarHBondContact O-CG 3.5Å; S74-R90 PolarHBondContact O-NE 3.29Å; S74-V126 WeakPolarHBondContact CA-O 3.47Å |
| 75 | G | 93.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 166.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V126 | G75-V126 PolarHBondContact N-O 3.02Å; G75-V126 PolarHBondContact O-N 2.91Å |
| 76 | V | 93.7 | Very high | 94.8 | Very high | 30 Ų | 30 | 66.9 Ų | 66.9 | 18% | 0.182 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 136.5 | 180 | 179.3 | 0 | 0 | 0 | 0 | 110 | T78 I88 R89 D124 I125 F158 | V76-T78 PolarHBondContact O-N 3.28Å; V76-I88 CarbonylContact O-C 3.59Å; V76-I88 VanDerWaalsContact O-CA 3.26Å; V76-I88 WeakPolarHBondContact O-CA 2.88Å; V76-R89 PolarHBondContact N-O 3.32Å; V76-R89 PolarHBondContact O-N 3.34Å; V76-D124 WeakPolarHBondContact CA-O 3.46Å; V76-I125 HydrophobicContact CG2-CG1 4.35Å; V76-F158 HydrophobicContact CG2-CE2 4.17Å; V76-F158 HydrophobicContact CG2-CZ 4.21Å |
| 77 | V | 94.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 68.1 Ų | 68.1 | 1% | 0.006 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 120.1 | 175.8 | -176.6 | 0 | 0 | 0 | 0 | 110 | I86 V120 G123 D124 V126 | V77-I86 HydrophobicContact CG1-CB 4.36Å; V77-I86 HydrophobicContact CG1-CD1 4.43Å; V77-I86 HydrophobicContact CG2-CD1 3.9Å; V77-V120 HydrophobicContact CG2-CG1 4.09Å; V77-G123 PolarHBondContact O-N 3.45Å; V77-D124 HydrophobicContact CG2-CB 4.44Å; V77-D124 WeakPolarHBondContact CG2-O 3.36Å; V77-D124 PolarHBondContact N-O 3.43Å; V77-V126 HydrophobicContact CG2-CB 4.43Å; V77-V126 HydrophobicContact CG2-CG1 3.58Å; V77-V126 HydrophobicContact CG2-CG2 4Å |
| 78 | T | 93 | Very high | 94.9 | Very high | 46 Ų | 46 | 65.2 Ų | 65.2 | 28% | 0.282 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | -39.4 | 179.8 | 57.4 | 0 | 0 | 0 | 0 | 113.6 | V76 V87 R89 | V76-T78 PolarHBondContact O-N 3.28Å; T78-V87 PolarHBondContact N-O 3.23Å; T78-V87 PolarHBondContact OG1-O 3.45Å; T78-R89 HydrophobicContact CG2-CB 3.34Å; T78-R89 HydrophobicContact CG2-CG 4.36Å |
| 79 | K | 93.8 | Very high | 94.7 | Very high | 129 Ų | 129 | 68.2 Ų | 68.2 | 56% | 0.561 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141 | 136.1 | -176.4 | -58.4 | -179.4 | -178.5 | 179.2 | 0 | 109.9 | I86 V87 | K79-I86 WeakPolarHBondContact O-CA 3.39Å; K79-V87 HydrophobicContact CB-CB 4.21Å; K79-V87 HydrophobicContact CB-CG2 4.44Å; K79-V87 PolarHBondContact N-O 3.41Å; K79-V87 PolarHBondContact O-N 2.78Å |
| 80 | M | 93.7 | Very high | 94.7 | Very high | 82 Ų | 82 | 65.3 Ų | 65.3 | 40% | 0.404 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 50.2 | 176.2 | -173.6 | 164.9 | 172.2 | 0 | 0 | 110.3 | I86 L113 V120 | M80-I86 HydrophobicContact CB-CG2 4.11Å; M80-I86 HydrophobicContact CG-CG2 3.83Å; M80-I86 HydrophobicContact SD-CG2 4.19Å; M80-L113 HydrophobicContact CE-CD2 3.59Å; M80-L113 HydrophobicContact SD-CD2 4.15Å; M80-V120 HydrophobicContact SD-CB 4.47Å; M80-V120 HydrophobicContact SD-CG1 4.49Å |
| 81 | K | 94.1 | Very high | 94.6 | Very high | 197 Ų | 197 | 63 Ų | 63 | 86% | 0.857 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.7 | -11.5 | -178.2 | -61.9 | -167.6 | 176.1 | -168.8 | 0 | 113.6 | ||
| 82 | M | 94.6 | Very high | 94.5 | Very high | 105 Ų | 105 | 59 Ų | 59 | 52% | 0.517 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 149.8 | -177.6 | -58.4 | 174.9 | 71.7 | 0 | 0 | 110.1 | R84 T85 | M82-R84 PolarHBondContact O-N 3.13Å; M82-R84 VanDerWaalsContact O-N 3.17Å; M82-T85 HydrophobicContact CE-CG2 4.45Å; M82-T85 HydrophobicContact SD-CG2 4.26Å |
| 83 | Q | 92.1 | Very high | 94.5 | Very high | 139 Ų | 139 | 58.2 Ų | 58.2 | 65% | 0.65 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | 119 | 175.2 | -169.7 | -174.2 | 5.6 | 0 | 0 | 110.3 | T85 | Q83-T85 PolarHBondContact O-N 3.15Å; Q83-T85 PolarHBondContact O-OG1 2.89Å |
| 84 | R | 92.9 | Very high | 94.5 | Very high | 69 Ų | 69 | 60.1 Ų | 60.1 | 26% | 0.26 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | 23.8 | 176 | -59 | 176.9 | -174.2 | -177.3 | 2.7 | 114.1 | I56 M82 H112 L113 P115 | I56-R84 PolarHBondContact O-NH1 3.27Å; M82-R84 PolarHBondContact O-N 3.13Å; M82-R84 VanDerWaalsContact O-N 3.17Å; R84-H112 PolarHBondContact O-ND1 3.28Å; R84-L113 CarbonylContact C-O 3.56Å; R84-L113 PolarHBondContact O-N 3.22Å; R84-P115 HydrophobicContact CG-CG 4.34Å |
| 85 | T | 96.8 | Very high | 94.6 | Very high | 18 Ų | 18 | 63.1 Ų | 63.1 | 11% | 0.11 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 135.1 | 177.9 | -56.8 | 0 | 0 | 0 | 0 | 108.9 | M82 Q83 V111 V138 | M82-T85 HydrophobicContact CE-CG2 4.45Å; M82-T85 HydrophobicContact SD-CG2 4.26Å; Q83-T85 PolarHBondContact O-N 3.15Å; Q83-T85 PolarHBondContact O-OG1 2.89Å; T85-V111 CarbonylContact C-O 3.56Å; T85-V111 VanDerWaalsContact CA-O 3.31Å; T85-V111 WeakPolarHBondContact CA-O 3.31Å; T85-V111 WeakPolarHBondContact CG2-O 3.38Å; T85-V138 HydrophobicContact CG2-CG2 3.87Å |
| 86 | I | 96.7 | Very high | 94.8 | Very high | 1 Ų | 1 | 65.8 Ų | 65.8 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 153.9 | 177.5 | 59.6 | 176.1 | 0 | 0 | 0 | 110.3 | V77 K79 M80 I88 V111 L113 V126 V142 | V77-I86 HydrophobicContact CG1-CB 4.36Å; V77-I86 HydrophobicContact CG1-CD1 4.43Å; V77-I86 HydrophobicContact CG2-CD1 3.9Å; K79-I86 WeakPolarHBondContact O-CA 3.39Å; M80-I86 HydrophobicContact CB-CG2 4.11Å; M80-I86 HydrophobicContact CG-CG2 3.83Å; M80-I86 HydrophobicContact SD-CG2 4.19Å; I86-I88 HydrophobicContact CD1-CG2 4.01Å; I86-I88 HydrophobicContact CG1-CG2 4.17Å; I86-V111 HydrophobicContact CG1-CB 4.1Å; I86-V111 PolarHBondContact N-O 3.42Å; I86-V111 PolarHBondContact O-N 2.94Å; I86-L113 HydrophobicContact CD1-CB 4.44Å; I86-L113 HydrophobicContact CD1-CD1 4.39Å; I86-L113 HydrophobicContact CG1-CB 4.29Å; I86-L113 HydrophobicContact CG2-CB 4.01Å; I86-L113 HydrophobicContact CG2-CD2 3.7Å; I86-L113 HydrophobicContact CG2-CG 4.43Å; I86-V126 HydrophobicContact CD1-CG2 4.37Å; I86-V142 HydrophobicContact CD1-CG2 3.73Å; I86-V142 HydrophobicContact CG1-CG2 4.38Å |
| 87 | V | 96.6 | Very high | 95 | Very high | 28 Ų | 28 | 74.8 Ų | 74.8 | 17% | 0.17 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 117.3 | 169.9 | -176.9 | 0 | 0 | 0 | 0 | 108.2 | T78 K79 N108 M109 | T78-V87 PolarHBondContact N-O 3.23Å; T78-V87 PolarHBondContact OG1-O 3.45Å; K79-V87 HydrophobicContact CB-CB 4.21Å; K79-V87 HydrophobicContact CB-CG2 4.44Å; K79-V87 PolarHBondContact N-O 3.41Å; K79-V87 PolarHBondContact O-N 2.78Å; V87-N108 HydrophobicContact CG1-CB 4.1Å; V87-M109 WeakPolarHBondContact CA-O 3.33Å |
| 88 | I | 95.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 83 Ų | 83 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 147 | 173.4 | 71 | 168.8 | 0 | 0 | 0 | 109.6 | V76 I86 N108 M109 V111 V126 V128 | V76-I88 CarbonylContact O-C 3.59Å; V76-I88 VanDerWaalsContact O-CA 3.26Å; V76-I88 WeakPolarHBondContact O-CA 2.88Å; I86-I88 HydrophobicContact CD1-CG2 4.01Å; I86-I88 HydrophobicContact CG1-CG2 4.17Å; I88-N108 CarbonylContact O-C 3.54Å; I88-N108 WeakPolarHBondContact O-CA 3.23Å; I88-M109 HydrophobicContact CD1-CB 4.44Å; I88-M109 HydrophobicContact CD1-CE 3.66Å; I88-M109 HydrophobicContact CG1-CB 3.89Å; I88-M109 HydrophobicContact CG1-CE 4.08Å; I88-M109 PolarHBondContact N-O 2.91Å; I88-M109 PolarHBondContact O-N 2.94Å; I88-V111 HydrophobicContact CB-CG2 4.39Å; I88-V111 HydrophobicContact CD1-CG2 3.67Å; I88-V111 HydrophobicContact CG1-CG2 3.62Å; I88-V111 HydrophobicContact CG2-CB 4.49Å; I88-V111 HydrophobicContact CG2-CG2 3.95Å; I88-V126 HydrophobicContact CB-CG2 4.46Å; I88-V126 HydrophobicContact CG2-CG2 3.5Å; I88-V128 HydrophobicContact CD1-CG1 3.91Å; I88-V128 HydrophobicContact CD1-CG2 3.77Å |
| 89 | R | 94.4 | Very high | 95.4 | Very high | 84 Ų | 84 | 87.4 Ų | 87.4 | 32% | 0.317 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 135.4 | 173.4 | -179.4 | 174.4 | 170.6 | 149 | 0.2 | 109.2 | V76 T78 D91 H106 | V76-R89 PolarHBondContact N-O 3.32Å; V76-R89 PolarHBondContact O-N 3.34Å; T78-R89 HydrophobicContact CG2-CB 3.34Å; T78-R89 HydrophobicContact CG2-CG 4.36Å; R89-D91 IonicContact CZ-OD1 2.8Å; R89-D91 IonicContact NE-OD1 2.8Å; R89-D91 PolarHBondContact NE-OD1 2.79Å; R89-D91 IonicContact NE-OD2 3.97Å; R89-D91 PolarHBondContact NE-OD2 3.29Å; R89-D91 IonicContact NH2-OD1 3.87Å; R89-D91 PolarHBondContact NH2-OD1 3.13Å; R89-H106 HydrophobicContact CG-CB 4.12Å; R89-H106 VanDerWaalsContact CZ-CG 3.45Å; R89-H106 PolarHBondContact NH2-ND1 3.43Å |
| 90 | R | 94.2 | Very high | 95.5 | Very high | 60 Ų | 60 | 87 Ų | 87 | 23% | 0.226 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 113 | 171.5 | -63.7 | -170.8 | 70.9 | -168.4 | 5.4 | 108.2 | L73 S74 H106 K107 M109 | L73-R90 VanDerWaalsContact CB-NH1 3.34Å; L73-R90 VanDerWaalsContact CG-NH1 3.35Å; S74-R90 WeakPolarHBondContact O-CD 3.12Å; S74-R90 WeakPolarHBondContact O-CG 3.5Å; S74-R90 PolarHBondContact O-NE 3.29Å; R90-H106 CarbonylContact O-C 3.43Å; R90-H106 VanDerWaalsContact O-CA 3.26Å; R90-H106 WeakPolarHBondContact O-CA 3.16Å; R90-K107 PolarHBondContact N-O 2.83Å; R90-K107 PolarHBondContact O-N 3.07Å; R90-M109 HydrophobicContact CG-CE 3.74Å |
| 91 | D | 93.7 | Very high | 95.7 | Very high | 17 Ų | 17 | 91.9 Ų | 91.9 | 9% | 0.091 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 133 | 173.4 | -65.5 | -60.3 | 0 | 0 | 0 | 109 | R89 R105 H106 F155 F158 | R89-D91 IonicContact CZ-OD1 2.8Å; R89-D91 IonicContact NE-OD1 2.8Å; R89-D91 PolarHBondContact NE-OD1 2.79Å; R89-D91 IonicContact NE-OD2 3.97Å; R89-D91 PolarHBondContact NE-OD2 3.29Å; R89-D91 IonicContact NH2-OD1 3.87Å; R89-D91 PolarHBondContact NH2-OD1 3.13Å; D91-R105 WeakPolarHBondContact CA-O 3.32Å; D91-H106 WeakPolarHBondContact OD1-CB 3.45Å; D91-F155 HydrophobicContact CB-CD2 3.63Å; D91-F155 HydrophobicContact CB-CE2 3.56Å; D91-F155 HydrophobicContact CB-CZ 4.44Å; D91-F158 PolarHBondContact O-N 2.72Å |
| 92 | Y | 94.4 | Very high | 95.8 | Very high | 91 Ų | 91 | 88.4 Ų | 88.4 | 36% | 0.357 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 161.8 | 179.6 | 66 | -82.4 | 0 | 0 | 0 | 110.5 | H94 R105 | Y92-H94 HydrophobicContact CE2-CB 4.33Å; Y92-R105 HydrophobicContact CD1-CB 4.35Å; Y92-R105 HydrophobicContact CD2-CB 4.3Å; Y92-R105 HydrophobicContact CE1-CB 3.81Å; Y92-R105 HydrophobicContact CE2-CB 3.76Å; Y92-R105 HydrophobicContact CE2-CG 4.45Å; Y92-R105 VanDerWaalsContact CZ-CB 3.48Å; Y92-R105 PolarHBondContact N-O 3.18Å; Y92-R105 PolarHBondContact O-N 3.26Å; Y92-R105 VanDerWaalsContact O-O 3.06Å |
| 93 | L | 95.6 | Very high | 95.9 | Very high | 57 Ų | 57 | 86.5 Ų | 86.5 | 30% | 0.298 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 128.1 | 176.7 | -67.7 | 178.1 | 0 | 0 | 0 | 109.6 | F102 E103 K104 F155 K157 | L93-F102 HydrophobicContact CB-CB 4.07Å; L93-F102 HydrophobicContact CB-CD1 3.9Å; L93-F102 HydrophobicContact CB-CG 4.26Å; L93-F102 HydrophobicContact CD1-CB 4.4Å; L93-F102 HydrophobicContact CD2-CB 4.28Å; L93-F102 HydrophobicContact CG-CB 4.48Å; L93-E103 WeakPolarHBondContact CA-O 3.47Å; L93-K104 HydrophobicContact CD2-CG 3.77Å; L93-F155 HydrophobicContact CD2-CE1 4.3Å; L93-F155 HydrophobicContact CD2-CZ 3.74Å; L93-F155 HydrophobicContact CG-CZ 4.08Å; L93-K157 HydrophobicContact CD1-CD 4.02Å |
| 94 | H | 96.2 | Very high | 96.1 | Very high | 72 Ų | 72 | 87.1 Ų | 87.1 | 33% | 0.333 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 129 | 174.6 | 179.1 | -102 | 0 | 0 | 0 | 109.8 | Y92 F102 E103 R105 | Y92-H94 HydrophobicContact CE2-CB 4.33Å; H94-F102 CarbonylContact O-C 3.55Å; H94-F102 VanDerWaalsContact O-CA 3.28Å; H94-F102 WeakPolarHBondContact O-CA 3.25Å; H94-E103 HydrophobicContact CB-CG 3.83Å; H94-E103 IonicContact CE1-OE1 3.84Å; H94-E103 IonicContact CG-OE1 3.64Å; H94-E103 PolarHBondContact N-O 2.85Å; H94-E103 IonicContact ND1-OE1 2.87Å; H94-E103 PolarHBondContact ND1-OE1 3.26Å; H94-E103 PolarHBondContact O-N 3.43Å; H94-R105 HydrophobicContact CB-CG 3.96Å |
| 95 | Y | 96.8 | Very high | 96.2 | Very high | 99 Ų | 99 | 88.9 Ų | 88.9 | 39% | 0.388 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 128.3 | -175.6 | 180 | -112.3 | 0 | 0 | 0 | 111.5 | R97 N100 F102 | Y95-R97 HydrophobicContact CE1-CB 4.19Å; Y95-R97 HydrophobicContact CE1-CG 4.37Å; Y95-N100 VanDerWaalsContact CE2-OD1 3.3Å; Y95-N100 WeakPolarHBondContact CE2-OD1 3.34Å; Y95-N100 PolarHBondContact OH-OD1 3.5Å; Y95-F102 HydrophobicContact CD2-CD1 4.14Å; Y95-F102 HydrophobicContact CD2-CD2 4.46Å; Y95-F102 AromaticContact CD2-CE1 3.71Å; Y95-F102 HydrophobicContact CD2-CE1 3.71Å; Y95-F102 HydrophobicContact CD2-CE2 4.05Å; Y95-F102 HydrophobicContact CD2-CG 4.5Å; Y95-F102 AromaticContact CD2-CZ 3.65Å; Y95-F102 HydrophobicContact CD2-CZ 3.65Å; Y95-F102 HydrophobicContact CE2-CZ 4.4Å; Y95-F102 HydrophobicContact CG-CE1 4.09Å; Y95-F102 HydrophobicContact CG-CZ 4.39Å |
| 96 | I | 97.9 | Very high | 96.1 | Very high | 56 Ų | 56 | 92.3 Ų | 92.3 | 29% | 0.287 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 102.6 | 176.6 | -53 | 172.2 | 0 | 0 | 0 | 109.2 | K98 Y99 N100 R101 E103 | I96-K98 VanDerWaalsContact C-N 3.31Å; I96-K98 PolarHBondContact O-N 3.27Å; I96-Y99 HydrophobicContact CG2-CD2 3.66Å; I96-Y99 HydrophobicContact CG2-CE2 4.36Å; I96-Y99 PolarHBondContact O-N 3.49Å; I96-Y99 VanDerWaalsContact O-N 3.15Å; I96-N100 PolarHBondContact O-N 2.8Å; I96-R101 PolarHBondContact N-O 3Å; I96-E103 HydrophobicContact CD1-CB 4.14Å; I96-E103 HydrophobicContact CD1-CG 4.18Å; I96-E103 HydrophobicContact CG1-CG 4.37Å |
| 97 | R | 97.7 | Very high | 96 | Very high | 220 Ų | 220 | 98.3 Ų | 98.3 | 83% | 0.83 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -39 | -172.2 | -167 | 169.9 | 75.3 | 147.7 | 1.8 | 114.1 | Y95 Y99 | Y95-R97 HydrophobicContact CE1-CB 4.19Å; Y95-R97 HydrophobicContact CE1-CG 4.37Å; R97-Y99 VanDerWaalsContact C-N 3.32Å; R97-Y99 PolarHBondContact O-N 3.34Å |
| 98 | K | 98.2 | Very high | 96 | Very high | 173 Ų | 173 | 101.1 Ų | 101.1 | 75% | 0.752 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -35.8 | -179 | -177.9 | 176.7 | 177.7 | -177.6 | 0 | 113 | I96 | I96-K98 VanDerWaalsContact C-N 3.31Å; I96-K98 PolarHBondContact O-N 3.27Å |
| 99 | Y | 98.1 | Very high | 96 | Very high | 139 Ų | 139 | 102 Ų | 102 | 55% | 0.545 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | -2 | -171.6 | -58.6 | -68.7 | 0 | 0 | 0 | 113.3 | I96 R97 R101 | I96-Y99 HydrophobicContact CG2-CD2 3.66Å; I96-Y99 HydrophobicContact CG2-CE2 4.36Å; I96-Y99 PolarHBondContact O-N 3.49Å; I96-Y99 VanDerWaalsContact O-N 3.15Å; R97-Y99 VanDerWaalsContact C-N 3.32Å; R97-Y99 PolarHBondContact O-N 3.34Å; Y99-R101 WeakPolarHBondContact O-CG 3.3Å; Y99-R101 PolarHBondContact O-N 2.83Å |
| 100 | N | 95.9 | Very high | 96.2 | Very high | 120 Ų | 120 | 99.2 Ų | 99.2 | 64% | 0.642 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.3 | 41.7 | -173.4 | -163.6 | 12.2 | 0 | 0 | 0 | 112.3 | Y95 I96 | Y95-N100 VanDerWaalsContact CE2-OD1 3.3Å; Y95-N100 WeakPolarHBondContact CE2-OD1 3.34Å; Y95-N100 PolarHBondContact OH-OD1 3.5Å; I96-N100 PolarHBondContact O-N 2.8Å |
| 101 | R | 98 | Very high | 96.4 | Very high | 184 Ų | 184 | 96.4 Ų | 96.4 | 69% | 0.694 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 159.3 | -176.8 | -76.3 | 176.6 | -171.8 | -144.9 | 2.5 | 110.4 | I96 Y99 | I96-R101 PolarHBondContact N-O 3Å; Y99-R101 WeakPolarHBondContact O-CG 3.3Å; Y99-R101 PolarHBondContact O-N 2.83Å |
| 102 | F | 96.6 | Very high | 96.5 | Very high | 124 Ų | 124 | 95.8 Ų | 95.8 | 54% | 0.544 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 139.8 | 175 | -64.5 | -90.2 | 0 | 0 | 0 | 111.4 | L93 H94 Y95 | L93-F102 HydrophobicContact CB-CB 4.07Å; L93-F102 HydrophobicContact CB-CD1 3.9Å; L93-F102 HydrophobicContact CB-CG 4.26Å; L93-F102 HydrophobicContact CD1-CB 4.4Å; L93-F102 HydrophobicContact CD2-CB 4.28Å; L93-F102 HydrophobicContact CG-CB 4.48Å; H94-F102 CarbonylContact O-C 3.55Å; H94-F102 VanDerWaalsContact O-CA 3.28Å; H94-F102 WeakPolarHBondContact O-CA 3.25Å; Y95-F102 HydrophobicContact CD2-CD1 4.14Å; Y95-F102 HydrophobicContact CD2-CD2 4.46Å; Y95-F102 AromaticContact CD2-CE1 3.71Å; Y95-F102 HydrophobicContact CD2-CE1 3.71Å; Y95-F102 HydrophobicContact CD2-CE2 4.05Å; Y95-F102 HydrophobicContact CD2-CG 4.5Å; Y95-F102 AromaticContact CD2-CZ 3.65Å; Y95-F102 HydrophobicContact CD2-CZ 3.65Å; Y95-F102 HydrophobicContact CE2-CZ 4.4Å; Y95-F102 HydrophobicContact CG-CE1 4.09Å; Y95-F102 HydrophobicContact CG-CZ 4.39Å |
| 103 | E | 95.9 | Very high | 96.6 | Very high | 66 Ų | 66 | 91.9 Ų | 91.9 | 31% | 0.308 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 147.1 | 167.9 | 65.3 | -179.1 | 170.1 | 0 | 0 | 110.8 | L93 H94 I96 R105 | L93-E103 WeakPolarHBondContact CA-O 3.47Å; H94-E103 HydrophobicContact CB-CG 3.83Å; H94-E103 IonicContact CE1-OE1 3.84Å; H94-E103 IonicContact CG-OE1 3.64Å; H94-E103 PolarHBondContact N-O 2.85Å; H94-E103 IonicContact ND1-OE1 2.87Å; H94-E103 PolarHBondContact ND1-OE1 3.26Å; H94-E103 PolarHBondContact O-N 3.43Å; I96-E103 HydrophobicContact CD1-CB 4.14Å; I96-E103 HydrophobicContact CD1-CG 4.18Å; I96-E103 HydrophobicContact CG1-CG 4.37Å; E103-R105 HydrophobicContact CG-CG 4.22Å; E103-R105 PolarHBondContact O-N 2.93Å; E103-R105 IonicContact OE1-CZ 2.74Å; E103-R105 IonicContact OE1-NE 2.8Å; E103-R105 PolarHBondContact OE1-NE 2.81Å; E103-R105 IonicContact OE1-NH2 3.07Å; E103-R105 PolarHBondContact OE1-NH2 2.94Å |
| 104 | K | 95.4 | Very high | 96.6 | Very high | 152 Ų | 152 | 89.2 Ų | 89.2 | 66% | 0.661 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 119.3 | 175.3 | -66.7 | -179.7 | -179.4 | 176.6 | 0 | 109.2 | L93 F155 | L93-K104 HydrophobicContact CD2-CG 3.77Å; K104-F155 HydrophobicContact CB-CE2 3.98Å; K104-F155 HydrophobicContact CD-CD2 3.92Å; K104-F155 HydrophobicContact CD-CE2 3.87Å; K104-F155 HydrophobicContact CD-CG 4.29Å; K104-F155 HydrophobicContact CD-CZ 4.24Å; K104-F155 HydrophobicContact CG-CD2 4.3Å; K104-F155 HydrophobicContact CG-CE2 3.73Å; K104-F155 HydrophobicContact CG-CZ 3.94Å |
| 105 | R | 95.7 | Very high | 96.4 | Very high | 105 Ų | 105 | 87 Ų | 87 | 40% | 0.396 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 161.1 | 171.5 | -67.1 | -166.7 | 179.3 | -163.6 | -2.9 | 110.3 | D91 Y92 H94 E103 | D91-R105 WeakPolarHBondContact CA-O 3.32Å; Y92-R105 HydrophobicContact CD1-CB 4.35Å; Y92-R105 HydrophobicContact CD2-CB 4.3Å; Y92-R105 HydrophobicContact CE1-CB 3.81Å; Y92-R105 HydrophobicContact CE2-CB 3.76Å; Y92-R105 HydrophobicContact CE2-CG 4.45Å; Y92-R105 VanDerWaalsContact CZ-CB 3.48Å; Y92-R105 PolarHBondContact N-O 3.18Å; Y92-R105 PolarHBondContact O-N 3.26Å; Y92-R105 VanDerWaalsContact O-O 3.06Å; H94-R105 HydrophobicContact CB-CG 3.96Å; E103-R105 HydrophobicContact CG-CG 4.22Å; E103-R105 PolarHBondContact O-N 2.93Å; E103-R105 IonicContact OE1-CZ 2.74Å; E103-R105 IonicContact OE1-NE 2.8Å; E103-R105 PolarHBondContact OE1-NE 2.81Å; E103-R105 IonicContact OE1-NH2 3.07Å; E103-R105 PolarHBondContact OE1-NH2 2.94Å |
| 106 | H | 94.7 | Very high | 96.2 | Very high | 90 Ų | 90 | 82.4 Ų | 82.4 | 42% | 0.417 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 153.2 | 173.6 | 72.4 | -86 | 0 | 0 | 0 | 111.5 | R89 R90 D91 | R89-H106 HydrophobicContact CG-CB 4.12Å; R89-H106 VanDerWaalsContact CZ-CG 3.45Å; R89-H106 PolarHBondContact NH2-ND1 3.43Å; R90-H106 CarbonylContact O-C 3.43Å; R90-H106 VanDerWaalsContact O-CA 3.26Å; R90-H106 WeakPolarHBondContact O-CA 3.16Å; D91-H106 WeakPolarHBondContact OD1-CB 3.45Å |
| 107 | K | 95.4 | Very high | 96 | Very high | 127 Ų | 127 | 81.1 Ų | 81.1 | 55% | 0.552 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 127.8 | 170.3 | -170.8 | 173.5 | -176.9 | 174.2 | 0 | 109.6 | R90 M109 | R90-K107 PolarHBondContact N-O 2.83Å; R90-K107 PolarHBondContact O-N 3.07Å; K107-M109 HydrophobicContact CG-CG 4.34Å |
| 108 | N | 96 | Very high | 95.3 | Very high | 87 Ų | 87 | 78.4 Ų | 78.4 | 47% | 0.465 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 139.9 | 171.9 | -64.4 | -22.5 | 0 | 0 | 0 | 109.5 | V87 I88 | V87-N108 HydrophobicContact CG1-CB 4.1Å; I88-N108 CarbonylContact O-C 3.54Å; I88-N108 WeakPolarHBondContact O-CA 3.23Å |
| 109 | M | 95.9 | Very high | 94.8 | Very high | 20 Ų | 20 | 75.8 Ų | 75.8 | 10% | 0.099 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 136.3 | 177.6 | -62.4 | -175.5 | -69.4 | 0 | 0 | 109.9 | L73 V87 I88 R90 K107 F140 | L73-M109 HydrophobicContact CD1-CE 4.01Å; L73-M109 HydrophobicContact CD1-SD 4.13Å; V87-M109 WeakPolarHBondContact CA-O 3.33Å; I88-M109 HydrophobicContact CD1-CB 4.44Å; I88-M109 HydrophobicContact CD1-CE 3.66Å; I88-M109 HydrophobicContact CG1-CB 3.89Å; I88-M109 HydrophobicContact CG1-CE 4.08Å; I88-M109 PolarHBondContact N-O 2.91Å; I88-M109 PolarHBondContact O-N 2.94Å; R90-M109 HydrophobicContact CG-CE 3.74Å; K107-M109 HydrophobicContact CG-CG 4.34Å; M109-F140 HydrophobicContact SD-CE2 4.22Å |
| 110 | S | 97.6 | Very high | 94.5 | Very high | 25 Ų | 25 | 69.6 Ų | 69.6 | 18% | 0.175 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 127.2 | 171.8 | -56.2 | 0 | 0 | 0 | 0 | 109.4 | T137 | S110-T137 WeakPolarHBondContact CB-OG1 3.41Å; S110-T137 PolarHBondContact OG-OG1 3.15Å |
| 111 | V | 97.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 133.4 | -173.4 | -173.5 | 0 | 0 | 0 | 0 | 109 | T85 I86 I88 L113 V128 F140 V142 | T85-V111 CarbonylContact C-O 3.56Å; T85-V111 VanDerWaalsContact CA-O 3.31Å; T85-V111 WeakPolarHBondContact CA-O 3.31Å; T85-V111 WeakPolarHBondContact CG2-O 3.38Å; I86-V111 HydrophobicContact CG1-CB 4.1Å; I86-V111 PolarHBondContact N-O 3.42Å; I86-V111 PolarHBondContact O-N 2.94Å; I88-V111 HydrophobicContact CB-CG2 4.39Å; I88-V111 HydrophobicContact CD1-CG2 3.67Å; I88-V111 HydrophobicContact CG1-CG2 3.62Å; I88-V111 HydrophobicContact CG2-CB 4.49Å; I88-V111 HydrophobicContact CG2-CG2 3.95Å; V111-L113 PolarHBondContact O-N 3.18Å; V111-V128 HydrophobicContact CB-CG1 4.46Å; V111-V128 HydrophobicContact CG1-CB 4.04Å; V111-V128 HydrophobicContact CG1-CG1 3.63Å; V111-V128 HydrophobicContact CG2-CG1 4.14Å; V111-F140 WeakPolarHBondContact CA-O 3.37Å; V111-F140 HydrophobicContact CB-CB 4.49Å; V111-F140 HydrophobicContact CG1-CB 4.08Å; V111-F140 WeakPolarHBondContact CG1-O 3.33Å; V111-F140 HydrophobicContact CG2-CB 4.1Å; V111-V142 HydrophobicContact CG1-CG2 3.64Å |
| 112 | H | 97.6 | Very high | 94 | Very high | 5 Ų | 5 | 66 Ų | 66 | 2% | 0.023 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 126.5 | 172.5 | -173.1 | 71.4 | 0 | 0 | 0 | 109.9 | D57 K59 R84 L134 V138 F140 N141 V142 | D57-H112 IonicContact OD1-CE1 3.71Å; D57-H112 IonicContact OD1-NE2 2.98Å; D57-H112 PolarHBondContact OD1-NE2 3.04Å; D57-H112 IonicContact OD2-CD2 3.49Å; D57-H112 IonicContact OD2-CE1 3.63Å; D57-H112 IonicContact OD2-NE2 3.34Å; D57-H112 PolarHBondContact OD2-NE2 3.28Å; K59-H112 WeakPolarHBondContact CB-NE2 3.47Å; K59-H112 PolarHBondContact O-CD2 2.9Å; R84-H112 PolarHBondContact O-ND1 3.28Å; H112-L134 HydrophobicContact CB-CD1 4.06Å; H112-V138 HydrophobicContact CB-CG1 3.87Å; H112-F140 PolarHBondContact N-O 3.09Å; H112-N141 VanDerWaalsContact CB-OD1 3.23Å; H112-N141 WeakPolarHBondContact CB-OD1 3.49Å; H112-V142 PolarHBondContact O-N 2.93Å |
| 113 | L | 96.3 | Very high | 93.7 | Very high | 8 Ų | 8 | 60.9 Ų | 60.9 | 4% | 0.042 | 29% | 0.288 | C | S | . | . | trans | -106.4 | 109.5 | 174.2 | 179.6 | 68.1 | 0 | 0 | 0 | 108.3 | M80 R84 I86 V111 F117 V120 V142 | M80-L113 HydrophobicContact CE-CD2 3.59Å; M80-L113 HydrophobicContact SD-CD2 4.15Å; R84-L113 CarbonylContact C-O 3.56Å; R84-L113 PolarHBondContact O-N 3.22Å; I86-L113 HydrophobicContact CD1-CB 4.44Å; I86-L113 HydrophobicContact CD1-CD1 4.39Å; I86-L113 HydrophobicContact CG1-CB 4.29Å; I86-L113 HydrophobicContact CG2-CB 4.01Å; I86-L113 HydrophobicContact CG2-CD2 3.7Å; I86-L113 HydrophobicContact CG2-CG 4.43Å; V111-L113 PolarHBondContact O-N 3.18Å; L113-F117 HydrophobicContact CD1-CB 3.87Å; L113-F117 HydrophobicContact CD1-CD2 4.26Å; L113-F117 HydrophobicContact CD1-CG 4.5Å; L113-V120 HydrophobicContact CD1-CG2 3.88Å; L113-V120 HydrophobicContact CD2-CB 4.17Å; L113-V120 HydrophobicContact CD2-CG1 4.48Å; L113-V120 HydrophobicContact CD2-CG2 4.27Å; L113-V142 HydrophobicContact CB-CG2 4.48Å; L113-V142 HydrophobicContact CD1-CB 4.05Å; L113-V142 HydrophobicContact CD1-CG1 4.17Å; L113-V142 HydrophobicContact CD1-CG2 3.82Å | ||
| 114 | S | 94.4 | Very high | 93.6 | Very high | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.007 | 27% | 0.274 | C | S | . | . | trans | -74.6 | 145.1 | 177.5 | -165.3 | 0 | 0 | 0 | 0 | 111.3 | D57 C60 C116 F117 | D57-S114 PolarHBondContact OD2-OG 2.81Å; C60-S114 WeakPolarHBondContact CB-OG 3.2Å; C60-S114 PolarHBondContact SG-OG 2.89Å; S114-C116 PolarHBondContact O-N 3.26Å; S114-F117 PolarHBondContact O-N 2.86Å | ||
| 115 | P | 93 | Very high | 93.4 | Very high | 27 Ų | 27 | 52.4 Ų | 52.4 | 18% | 0.175 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -5.1 | -178.8 | -23.2 | 33.2 | 0 | 0 | 0 | 116.1 | Y55 D57 R84 F117 R118 | Y55-P115 HydrophobicContact CD1-CB 4.19Å; Y55-P115 HydrophobicContact CD2-CB 3.77Å; Y55-P115 HydrophobicContact CD2-CG 3.75Å; Y55-P115 HydrophobicContact CE2-CB 4.31Å; Y55-P115 HydrophobicContact CE2-CG 4.31Å; Y55-P115 HydrophobicContact CG-CB 3.72Å; Y55-P115 HydrophobicContact CG-CG 4.15Å; D57-P115 WeakPolarHBondContact OD2-CD 3.14Å; R84-P115 HydrophobicContact CG-CG 4.34Å; P115-F117 PolarHBondContact O-N 3.48Å; P115-R118 VanDerWaalsContact O-CG 3.25Å; P115-R118 WeakPolarHBondContact O-CG 3.5Å |
| 116 | C | 93.2 | Very high | 93.4 | Very high | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.014 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -24.2 | 169.3 | 53.4 | 0 | 0 | 0 | 0 | 112.8 | P47 E49 A50 Y55 S114 | P47-C116 HydrophobicContact CB-CB 4.14Å; P47-C116 HydrophobicContact CG-CB 4.35Å; E49-C116 HydrophobicContact CB-CB 4.16Å; E49-C116 WeakPolarHBondContact CB-O 3.35Å; A50-C116 HydrophobicContact CB-CB 4.1Å; Y55-C116 HydrophobicContact CE1-CB 3.95Å; Y55-C116 WeakPolarHBondContact OH-CB 3.49Å; S114-C116 PolarHBondContact O-N 3.26Å |
| 117 | F | 92.2 | Very high | 93.4 | Very high | 28 Ų | 28 | 44.1 Ų | 44.1 | 12% | 0.123 | 22% | 0.219 | C | C | . | . | trans | -102.4 | 79.1 | 177 | -59 | -66.3 | 0 | 0 | 0 | 109.5 | P47 F62 L113 S114 P115 V120 V142 L143 V145 | P47-F117 HydrophobicContact CB-CE1 4.39Å; P47-F117 HydrophobicContact CG-CE1 3.62Å; P47-F117 HydrophobicContact CG-CE2 4.45Å; P47-F117 HydrophobicContact CG-CZ 3.57Å; F62-F117 AromaticContact CE2-CE2 3.82Å; F62-F117 HydrophobicContact CE2-CE2 3.82Å; F62-F117 AromaticContact CE2-CZ 3.76Å; F62-F117 HydrophobicContact CE2-CZ 3.76Å; F62-F117 HydrophobicContact CZ-CZ 4.19Å; L113-F117 HydrophobicContact CD1-CB 3.87Å; L113-F117 HydrophobicContact CD1-CD2 4.26Å; L113-F117 HydrophobicContact CD1-CG 4.5Å; S114-F117 PolarHBondContact O-N 2.86Å; P115-F117 PolarHBondContact O-N 3.48Å; F117-V120 HydrophobicContact CB-CG2 3.76Å; F117-V142 HydrophobicContact CD2-CB 4.36Å; F117-V142 HydrophobicContact CD2-CG1 3.93Å; F117-V142 HydrophobicContact CE2-CB 4.39Å; F117-V142 HydrophobicContact CE2-CG1 3.97Å; F117-L143 VanDerWaalsContact CZ-O 3.29Å; F117-L143 WeakPolarHBondContact CZ-O 3.06Å; F117-V145 HydrophobicContact CB-CG2 4.03Å; F117-V145 HydrophobicContact CD1-CG2 3.73Å; F117-V145 HydrophobicContact CE1-CG2 4.33Å; F117-V145 HydrophobicContact CG-CG2 3.86Å | ||
| 118 | R | 83.8 | Confident | 93.5 | Very high | 163 Ų | 163 | 38 Ų | 38 | 62% | 0.615 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -33 | -176.9 | -65.7 | -174 | 179 | 175.7 | -2.6 | 113.2 | P115 V120 | P115-R118 VanDerWaalsContact O-CG 3.25Å; P115-R118 WeakPolarHBondContact O-CG 3.5Å; R118-V120 PolarHBondContact O-N 2.8Å |
| 119 | D | 86.8 | Confident | 93.6 | Very high | 118 Ų | 118 | 33.9 Ų | 33.9 | 63% | 0.631 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | 1.6 | -169.6 | -53.7 | -34.1 | 0 | 0 | 0 | 113 | Q121 K147 | D119-Q121 PolarHBondContact O-N 3.46Å; D119-K147 PolarHBondContact O-NZ 3.1Å |
| 120 | V | 91.4 | Very high | 93.7 | Very high | 10 Ų | 10 | 35.8 Ų | 35.8 | 6% | 0.061 | 18% | 0.179 | C | C | . | . | trans | -61.6 | 129.1 | -173.8 | -176.1 | 0 | 0 | 0 | 0 | 111.4 | V77 M80 L113 F117 R118 V145 | V77-V120 HydrophobicContact CG2-CG1 4.09Å; M80-V120 HydrophobicContact SD-CB 4.47Å; M80-V120 HydrophobicContact SD-CG1 4.49Å; L113-V120 HydrophobicContact CD1-CG2 3.88Å; L113-V120 HydrophobicContact CD2-CB 4.17Å; L113-V120 HydrophobicContact CD2-CG1 4.48Å; L113-V120 HydrophobicContact CD2-CG2 4.27Å; F117-V120 HydrophobicContact CB-CG2 3.76Å; R118-V120 PolarHBondContact O-N 2.8Å; V120-V145 HydrophobicContact CG2-CB 4.41Å; V120-V145 HydrophobicContact CG2-CG1 4.02Å; V120-V145 HydrophobicContact CG2-CG2 3.6Å | ||
| 121 | Q | 92 | Very high | 93.7 | Very high | 129 Ų | 129 | 34.8 Ų | 34.8 | 60% | 0.603 | 17% | 0.172 | S | C | * | . | trans | -119.1 | 164.2 | 177 | -69.3 | 179.8 | -9.9 | 0 | 0 | 111.2 | D119 G123 D124 | D119-Q121 PolarHBondContact O-N 3.46Å; Q121-G123 PolarHBondContact O-N 2.91Å; Q121-D124 PolarHBondContact N-OD2 3.47Å; Q121-D124 WeakPolarHBondContact O-CB 3.14Å; Q121-D124 PolarHBondContact O-N 3.17Å | ||
| 122 | I | 92.2 | Very high | 93.6 | Very high | 98 Ų | 98 | 40.3 Ų | 40.3 | 50% | 0.503 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | 132.3 | 172.7 | -61.1 | 170.5 | 0 | 0 | 0 | 108.1 | ||
| 123 | G | 90.9 | Very high | 93.6 | Very high | 17 Ų | 17 | 44.1 Ų | 44.1 | 18% | 0.175 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 96.2 | -13 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | V77 Q121 A148 | V77-G123 PolarHBondContact O-N 3.45Å; Q121-G123 PolarHBondContact O-N 2.91Å; G123-A148 WeakPolarHBondContact O-CB 3.08Å |
| 124 | D | 92.4 | Very high | 93.6 | Very high | 5 Ų | 5 | 45.2 Ų | 45.2 | 3% | 0.027 | 22% | 0.223 | C | C | . | . | trans | -63.3 | 150.1 | 174.5 | -79.1 | -22.1 | 0 | 0 | 0 | 111.7 | V76 V77 Q121 V145 K147 A148 | V76-D124 WeakPolarHBondContact CA-O 3.46Å; V77-D124 HydrophobicContact CG2-CB 4.44Å; V77-D124 WeakPolarHBondContact CG2-O 3.36Å; V77-D124 PolarHBondContact N-O 3.43Å; Q121-D124 PolarHBondContact N-OD2 3.47Å; Q121-D124 WeakPolarHBondContact O-CB 3.14Å; Q121-D124 PolarHBondContact O-N 3.17Å; D124-V145 HydrophobicContact CB-CG1 4.27Å; D124-K147 IonicContact OD1-NZ 3.46Å; D124-K147 IonicContact OD2-NZ 2.66Å; D124-K147 PolarHBondContact OD2-NZ 3.36Å; D124-A148 PolarHBondContact OD1-N 3.17Å | ||
| 125 | I | 92.9 | Very high | 93.7 | Very high | 36 Ų | 36 | 48.3 Ų | 48.3 | 19% | 0.185 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 123.4 | 173.7 | -60.2 | 168.6 | 0 | 0 | 0 | 107.8 | V76 T146 F158 | V76-I125 HydrophobicContact CG2-CG1 4.35Å; I125-T146 PolarHBondContact N-O 3.11Å; I125-T146 WeakPolarHBondContact O-CA 3.4Å; I125-T146 PolarHBondContact O-N 3.13Å; I125-T146 VanDerWaalsContact O-O 3.09Å; I125-F158 HydrophobicContact CG2-CE1 4.41Å; I125-F158 HydrophobicContact CG2-CZ 4.36Å |
| 126 | V | 94.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 137.3 | 179.4 | -63.9 | 0 | 0 | 0 | 0 | 111.4 | S74 G75 V77 I86 I88 V128 V142 K144 V145 | S74-V126 WeakPolarHBondContact CA-O 3.47Å; G75-V126 PolarHBondContact N-O 3.02Å; G75-V126 PolarHBondContact O-N 2.91Å; V77-V126 HydrophobicContact CG2-CB 4.43Å; V77-V126 HydrophobicContact CG2-CG1 3.58Å; V77-V126 HydrophobicContact CG2-CG2 4Å; I86-V126 HydrophobicContact CD1-CG2 4.37Å; I88-V126 HydrophobicContact CB-CG2 4.46Å; I88-V126 HydrophobicContact CG2-CG2 3.5Å; V126-V128 HydrophobicContact CB-CG1 4.42Å; V126-V128 HydrophobicContact CG2-CG1 3.87Å; V126-V142 HydrophobicContact CB-CG1 4.37Å; V126-V142 HydrophobicContact CG1-CG1 4.45Å; V126-K144 WeakPolarHBondContact CA-O 3.08Å; V126-V145 HydrophobicContact CG1-CG1 4.28Å; V126-V145 HydrophobicContact CG1-CG2 4.16Å |
| 127 | T | 95.7 | Very high | 94 | Very high | 20 Ų | 20 | 59.9 Ų | 59.9 | 12% | 0.123 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 125 | 167.1 | -50.8 | 0 | 0 | 0 | 0 | 108.3 | F44 I72 L73 L143 K144 | F44-T127 HydrophobicContact CE1-CG2 3.9Å; F44-T127 HydrophobicContact CZ-CG2 3.8Å; I72-T127 HydrophobicContact CG2-CG2 3.53Å; L73-T127 CarbonylContact O-C 3.5Å; L73-T127 WeakPolarHBondContact O-CA 3.44Å; T127-L143 PolarHBondContact O-N 2.98Å; T127-K144 PolarHBondContact N-O 3.16Å; T127-K144 PolarHBondContact O-N 3.14Å |
| 128 | V | 97.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 142.1 | -175.3 | -52.3 | 0 | 0 | 0 | 0 | 110.2 | I72 L73 I88 V111 V126 F140 N141 V142 | I72-V128 CarbonylContact C-O 3.57Å; I72-V128 WeakPolarHBondContact CA-O 3.26Å; L73-V128 HydrophobicContact CB-CG2 3.9Å; L73-V128 PolarHBondContact N-O 2.57Å; L73-V128 WeakPolarHBondContact O-CG2 3.48Å; L73-V128 PolarHBondContact O-N 2.96Å; I88-V128 HydrophobicContact CD1-CG1 3.91Å; I88-V128 HydrophobicContact CD1-CG2 3.77Å; V111-V128 HydrophobicContact CB-CG1 4.46Å; V111-V128 HydrophobicContact CG1-CB 4.04Å; V111-V128 HydrophobicContact CG1-CG1 3.63Å; V111-V128 HydrophobicContact CG2-CG1 4.14Å; V126-V128 HydrophobicContact CB-CG1 4.42Å; V126-V128 HydrophobicContact CG2-CG1 3.87Å; V128-F140 HydrophobicContact CB-CB 4.38Å; V128-F140 HydrophobicContact CG2-CB 4.32Å; V128-F140 HydrophobicContact CG2-CD1 4Å; V128-F140 HydrophobicContact CG2-CG 4.41Å; V128-N141 CarbonylContact C-O 3.53Å; V128-N141 WeakPolarHBondContact CA-O 3.27Å; V128-N141 WeakPolarHBondContact CB-O 3.29Å; V128-V142 HydrophobicContact CG1-CG2 4.28Å |
| 129 | G | 97.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 139.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | F140 N141 | G129-F140 CarbonylContact O-C 3.5Å; G129-F140 VanDerWaalsContact O-CA 3.28Å; G129-F140 WeakPolarHBondContact O-CA 3.25Å; G129-N141 PolarHBondContact N-O 2.93Å; G129-N141 PolarHBondContact O-N 3.17Å |
| 130 | E | 97.8 | Very high | 95.5 | Very high | 60 Ų | 60 | 53.6 Ų | 53.6 | 28% | 0.28 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 138.1 | 170.7 | 171.2 | 173.6 | -158 | 0 | 0 | 110.4 | I68 R69 R71 F140 | I68-E130 WeakPolarHBondContact CA-O 3.41Å; R69-E130 PolarHBondContact N-O 2.8Å; R69-E130 CarbonylContact O-C 3.57Å; R69-E130 WeakPolarHBondContact O-CB 3.35Å; R69-E130 WeakPolarHBondContact O-CG 3.44Å; R69-E130 VanDerWaalsContact O-O 3.05Å; R71-E130 HydrophobicContact CB-CB 4.34Å; R71-E130 WeakPolarHBondContact CB-OE2 3.49Å; R71-E130 WeakPolarHBondContact CG-OE2 3.32Å; R71-E130 PolarHBondContact N-OE2 2.89Å; R71-E130 WeakPolarHBondContact O-CB 3.09Å; R71-E130 PolarHBondContact O-N 2.97Å; E130-F140 HydrophobicContact CB-CD1 3.99Å; E130-F140 HydrophobicContact CB-CE1 3.63Å; E130-F140 HydrophobicContact CB-CZ 4.28Å; E130-F140 HydrophobicContact CG-CE1 4.49Å |
| 131 | C | 97.1 | Very high | 95.8 | Very high | 3 Ų | 3 | 53.1 Ų | 53.1 | 2% | 0.02 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 176.2 | -179.6 | 68 | 0 | 0 | 0 | 0 | 109.9 | V66 I68 R139 N141 | V66-C131 HydrophobicContact CG1-CB 3.73Å; I68-C131 HydrophobicContact CD1-CB 4Å; C131-R139 PolarHBondContact N-O 3.5Å; C131-R139 PolarHBondContact SG-O 3.12Å; C131-R139 VanDerWaalsContact SG-O 3.38Å; C131-N141 PolarHBondContact SG-OD1 3.07Å; C131-N141 VanDerWaalsContact SG-OD1 3.41Å |
| 132 | R | 96.4 | Very high | 96 | Very high | 117 Ų | 117 | 47 Ų | 47 | 44% | 0.442 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -61.8 | 151.7 | 168.2 | 66.2 | -179.7 | 178.2 | -178.2 | -2.6 | 109.6 | N65 L134 | N65-R132 PolarHBondContact O-NH2 2.88Å; N65-R132 VanDerWaalsContact O-NH2 3.13Å; R132-L134 HydrophobicContact CG-CD2 4.26Å; R132-L134 WeakPolarHBondContact O-CG 3.39Å; R132-L134 PolarHBondContact O-N 2.88Å; R132-L134 VanDerWaalsContact O-N 3.15Å |
| 133 | P | 97.4 | Very high | 96.2 | Very high | 85 Ų | 85 | 42.5 Ų | 42.5 | 55% | 0.552 | 21% | 0.213 | S | C | * | . | trans | -52.6 | 122.9 | 175.1 | -25.5 | 34.5 | 0 | 0 | 0 | 111.7 | ||||
| 134 | L | 96 | Very high | 96.4 | Very high | 30 Ų | 30 | 47 Ų | 47 | 16% | 0.157 | 23% | 0.228 | C | C | . | . | trans | -103.7 | -21.7 | 178.9 | -59.7 | -179.2 | 0 | 0 | 0 | 112.7 | K59 V66 H112 R132 V138 N141 | K59-L134 HydrophobicContact CB-CD1 4.05Å; K59-L134 HydrophobicContact CD-CB 4.33Å; K59-L134 HydrophobicContact CD-CD1 4.4Å; K59-L134 HydrophobicContact CG-CD1 4.29Å; K59-L134 HydrophobicContact CG-CD2 4.41Å; V66-L134 HydrophobicContact CG1-CD2 4.48Å; V66-L134 HydrophobicContact CG2-CD2 4.02Å; H112-L134 HydrophobicContact CB-CD1 4.06Å; R132-L134 HydrophobicContact CG-CD2 4.26Å; R132-L134 WeakPolarHBondContact O-CG 3.39Å; R132-L134 PolarHBondContact O-N 2.88Å; R132-L134 VanDerWaalsContact O-N 3.15Å; L134-V138 HydrophobicContact CB-CB 4.37Å; L134-V138 HydrophobicContact CB-CG1 4.15Å; L134-V138 HydrophobicContact CD1-CG1 4.2Å; L134-V138 PolarHBondContact N-O 3.5Å; L134-N141 WeakPolarHBondContact CD1-OD1 3.14Å | ||
| 135 | S | 95.8 | Very high | 96.4 | Very high | 67 Ų | 67 | 48.3 Ų | 48.3 | 47% | 0.469 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -159.5 | -176.3 | 175.3 | -174.3 | 0 | 0 | 0 | 0 | 108.5 | T137 V138 | S135-T137 VanDerWaalsContact C-N 3.3Å; S135-T137 PolarHBondContact O-N 3.48Å; S135-V138 PolarHBondContact N-O 3.3Å |
| 136 | K | 96.9 | Very high | 96.4 | Very high | 190 Ų | 190 | 49.4 Ų | 49.4 | 83% | 0.826 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -51.8 | -46.9 | 179.4 | -175.1 | 175.7 | -178.3 | 176 | 0 | 112.3 | ||
| 137 | T | 97 | Very high | 96.2 | Very high | 81 Ų | 81 | 54.7 Ų | 54.7 | 50% | 0.497 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -109.1 | -18.6 | -176.4 | 58.6 | 0 | 0 | 0 | 0 | 113.8 | S110 S135 R139 | S110-T137 WeakPolarHBondContact CB-OG1 3.41Å; S110-T137 PolarHBondContact OG-OG1 3.15Å; S135-T137 VanDerWaalsContact C-N 3.3Å; S135-T137 PolarHBondContact O-N 3.48Å; T137-R139 PolarHBondContact O-N 2.91Å |
| 138 | V | 97.6 | Very high | 95.5 | Very high | 8 Ų | 8 | 55.4 Ų | 55.4 | 5% | 0.048 | 28% | 0.275 | C | S | . | . | trans | -87.6 | 105.1 | -174.6 | -174.7 | 0 | 0 | 0 | 0 | 110 | T85 H112 L134 S135 | T85-V138 HydrophobicContact CG2-CG2 3.87Å; H112-V138 HydrophobicContact CB-CG1 3.87Å; L134-V138 HydrophobicContact CB-CB 4.37Å; L134-V138 HydrophobicContact CB-CG1 4.15Å; L134-V138 HydrophobicContact CD1-CG1 4.2Å; L134-V138 PolarHBondContact N-O 3.5Å; S135-V138 PolarHBondContact N-O 3.3Å | ||
| 139 | R | 97.8 | Very high | 94.3 | Very high | 141 Ų | 141 | 61.1 Ų | 61.1 | 53% | 0.532 | 32% | 0.323 | S | S | . | . | trans | -127.2 | 7.5 | 176.4 | -57.3 | -175.6 | -178.6 | -166.9 | -0.1 | 112.9 | C131 T137 | C131-R139 PolarHBondContact N-O 3.5Å; C131-R139 PolarHBondContact SG-O 3.12Å; C131-R139 VanDerWaalsContact SG-O 3.38Å; T137-R139 PolarHBondContact O-N 2.91Å | ||
| 140 | F | 98.1 | Very high | 92.8 | Very high | 29 Ų | 29 | 63.4 Ų | 63.4 | 13% | 0.127 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 147.2 | -179 | -69.1 | -90.7 | 0 | 0 | 0 | 109.7 | R71 L73 M109 V111 H112 V128 G129 E130 | R71-F140 HydrophobicContact CB-CE1 4.46Å; L73-F140 HydrophobicContact CD1-CD1 4.47Å; L73-F140 HydrophobicContact CD1-CE1 3.63Å; L73-F140 HydrophobicContact CD1-CZ 3.82Å; L73-F140 HydrophobicContact CG-CE1 4.23Å; M109-F140 HydrophobicContact SD-CE2 4.22Å; V111-F140 WeakPolarHBondContact CA-O 3.37Å; V111-F140 HydrophobicContact CB-CB 4.49Å; V111-F140 HydrophobicContact CG1-CB 4.08Å; V111-F140 WeakPolarHBondContact CG1-O 3.33Å; V111-F140 HydrophobicContact CG2-CB 4.1Å; H112-F140 PolarHBondContact N-O 3.09Å; V128-F140 HydrophobicContact CB-CB 4.38Å; V128-F140 HydrophobicContact CG2-CB 4.32Å; V128-F140 HydrophobicContact CG2-CD1 4Å; V128-F140 HydrophobicContact CG2-CG 4.41Å; G129-F140 CarbonylContact O-C 3.5Å; G129-F140 VanDerWaalsContact O-CA 3.28Å; G129-F140 WeakPolarHBondContact O-CA 3.25Å; E130-F140 HydrophobicContact CB-CD1 3.99Å; E130-F140 HydrophobicContact CB-CE1 3.63Å; E130-F140 HydrophobicContact CB-CZ 4.28Å; E130-F140 HydrophobicContact CG-CE1 4.49Å |
| 141 | N | 97.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 146.7 | 172.7 | -80.1 | 18.5 | 0 | 0 | 0 | 110.6 | K59 P61 I68 H112 V128 G129 C131 L134 | K59-N141 PolarHBondContact O-ND2 3.16Å; P61-N141 HydrophobicContact CB-CB 4.49Å; P61-N141 WeakPolarHBondContact CD-ND2 3.04Å; P61-N141 HydrophobicContact CG-CB 4.22Å; I68-N141 HydrophobicContact CD1-CB 3.94Å; H112-N141 VanDerWaalsContact CB-OD1 3.23Å; H112-N141 WeakPolarHBondContact CB-OD1 3.49Å; V128-N141 CarbonylContact C-O 3.53Å; V128-N141 WeakPolarHBondContact CA-O 3.27Å; V128-N141 WeakPolarHBondContact CB-O 3.29Å; G129-N141 PolarHBondContact N-O 2.93Å; G129-N141 PolarHBondContact O-N 3.17Å; C131-N141 PolarHBondContact SG-OD1 3.07Å; C131-N141 VanDerWaalsContact SG-OD1 3.41Å; L134-N141 WeakPolarHBondContact CD1-OD1 3.14Å |
| 142 | V | 96.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 132.7 | 170.9 | -179.2 | 0 | 0 | 0 | 0 | 110.3 | I86 V111 H112 L113 F117 V126 V128 V145 | I86-V142 HydrophobicContact CD1-CG2 3.73Å; I86-V142 HydrophobicContact CG1-CG2 4.38Å; V111-V142 HydrophobicContact CG1-CG2 3.64Å; H112-V142 PolarHBondContact O-N 2.93Å; L113-V142 HydrophobicContact CB-CG2 4.48Å; L113-V142 HydrophobicContact CD1-CB 4.05Å; L113-V142 HydrophobicContact CD1-CG1 4.17Å; L113-V142 HydrophobicContact CD1-CG2 3.82Å; F117-V142 HydrophobicContact CD2-CB 4.36Å; F117-V142 HydrophobicContact CD2-CG1 3.93Å; F117-V142 HydrophobicContact CE2-CB 4.39Å; F117-V142 HydrophobicContact CE2-CG1 3.97Å; V126-V142 HydrophobicContact CB-CG1 4.37Å; V126-V142 HydrophobicContact CG1-CG1 4.45Å; V128-V142 HydrophobicContact CG1-CG2 4.28Å; V142-V145 HydrophobicContact CG1-CG2 3.93Å |
| 143 | L | 95.9 | Very high | 88 | Confident | 3 Ų | 3 | 80 Ų | 80 | 2% | 0.016 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | -35.8 | 178.2 | -56.4 | -179 | 0 | 0 | 0 | 112.7 | I40 F44 P61 I68 F117 T127 | I40-L143 HydrophobicContact CD1-CD2 3.92Å; F44-L143 HydrophobicContact CD1-CB 3.94Å; F44-L143 HydrophobicContact CD2-CD1 3.89Å; F44-L143 HydrophobicContact CE1-CB 3.96Å; F44-L143 HydrophobicContact CE1-CD1 4.29Å; F44-L143 HydrophobicContact CE2-CD1 3.52Å; F44-L143 HydrophobicContact CG-CB 4.23Å; F44-L143 HydrophobicContact CG-CD1 4.42Å; F44-L143 HydrophobicContact CZ-CB 4.26Å; F44-L143 HydrophobicContact CZ-CD1 3.74Å; P61-L143 HydrophobicContact CG-CD2 4.33Å; I68-L143 HydrophobicContact CD1-CD2 3.91Å; I68-L143 HydrophobicContact CG1-CD2 3.77Å; I68-L143 HydrophobicContact CG2-CD1 4.11Å; I68-L143 HydrophobicContact CG2-CD2 4.35Å; F117-L143 VanDerWaalsContact CZ-O 3.29Å; F117-L143 WeakPolarHBondContact CZ-O 3.06Å; T127-L143 PolarHBondContact O-N 2.98Å |
| 144 | K | 94.6 | Very high | 86.7 | Confident | 111 Ų | 111 | 82 Ų | 82 | 48% | 0.483 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 143.4 | -178.9 | -178.2 | -178.5 | 176.3 | -176 | 0 | 109.3 | F44 V126 T127 | F44-K144 HydrophobicContact CD1-CB 4.11Å; F44-K144 HydrophobicContact CE1-CB 4.07Å; V126-K144 WeakPolarHBondContact CA-O 3.08Å; T127-K144 PolarHBondContact N-O 3.16Å; T127-K144 PolarHBondContact O-N 3.14Å |
| 145 | V | 93.9 | Very high | 85.7 | Confident | 34 Ų | 34 | 83.9 Ų | 83.9 | 21% | 0.206 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 133.2 | 174 | -176.6 | 0 | 0 | 0 | 0 | 107.5 | F117 V120 D124 V126 V142 | F117-V145 HydrophobicContact CB-CG2 4.03Å; F117-V145 HydrophobicContact CD1-CG2 3.73Å; F117-V145 HydrophobicContact CE1-CG2 4.33Å; F117-V145 HydrophobicContact CG-CG2 3.86Å; V120-V145 HydrophobicContact CG2-CB 4.41Å; V120-V145 HydrophobicContact CG2-CG1 4.02Å; V120-V145 HydrophobicContact CG2-CG2 3.6Å; D124-V145 HydrophobicContact CB-CG1 4.27Å; V126-V145 HydrophobicContact CG1-CG1 4.28Å; V126-V145 HydrophobicContact CG1-CG2 4.16Å; V142-V145 HydrophobicContact CG1-CG2 3.93Å |
| 146 | T | 92.2 | Very high | 84.7 | Confident | 58 Ų | 58 | 84.1 Ų | 84.1 | 36% | 0.356 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 121.7 | 174.1 | -50.6 | 0 | 0 | 0 | 0 | 107.4 | I125 A148 | I125-T146 PolarHBondContact N-O 3.11Å; I125-T146 WeakPolarHBondContact O-CA 3.4Å; I125-T146 PolarHBondContact O-N 3.13Å; I125-T146 VanDerWaalsContact O-O 3.09Å; T146-A148 PolarHBondContact O-N 3.31Å |
| 147 | K | 89.9 | Confident | 83.7 | Confident | 111 Ų | 111 | 82 Ų | 82 | 48% | 0.483 | 42% | 0.424 | S | S | . | . | trans | -68.1 | 128 | -177.5 | -67.4 | -68.4 | 174.8 | -171.4 | 0 | 110.8 | D119 D124 | D119-K147 PolarHBondContact O-NZ 3.1Å; D124-K147 IonicContact OD1-NZ 3.46Å; D124-K147 IonicContact OD2-NZ 2.66Å; D124-K147 PolarHBondContact OD2-NZ 3.36Å | ||
| 148 | A | 82.3 | Confident | 82.2 | Confident | 35 Ų | 35 | 83 Ų | 83 | 29% | 0.289 | 42% | 0.421 | S | S | . | . | trans | -92.7 | 144.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | G123 D124 T146 G150 | G123-A148 WeakPolarHBondContact O-CB 3.08Å; D124-A148 PolarHBondContact OD1-N 3.17Å; T146-A148 PolarHBondContact O-N 3.31Å; A148-G150 PolarHBondContact O-N 3.47Å; A148-G150 VanDerWaalsContact O-N 3.1Å | ||
| 149 | A | 71.2 | Confident | 81.5 | Confident | 120 Ų | 120 | 86.7 Ų | 86.7 | 99% | 0.992 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -75.1 | 9.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 150 | G | 65.7 | Low | 80.6 | Confident | 48 Ų | 48 | 83.8 Ų | 83.8 | 50% | 0.495 | 44% | 0.435 | S | S | . | . | trans | 169.1 | 162 | 174.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | A148 K152 | A148-G150 PolarHBondContact O-N 3.47Å; A148-G150 VanDerWaalsContact O-N 3.1Å; G150-K152 PolarHBondContact O-N 3.46Å | ||
| 151 | T | 63.7 | Low | 79.6 | Confident | 120 Ų | 120 | 86.9 Ų | 86.9 | 74% | 0.736 | 45% | 0.452 | S | S | * | . | trans | -93.8 | 31.9 | -176.3 | 39.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 152 | K | 64.2 | Low | 78.6 | Confident | 188 Ų | 188 | 92 Ų | 92 | 82% | 0.817 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -81.9 | 140.6 | 173.2 | -68.2 | -173.7 | -178.2 | 179.5 | 0 | 109.6 | G150 Q154 | G150-K152 PolarHBondContact O-N 3.46Å; K152-Q154 VanDerWaalsContact C-N 3.28Å; K152-Q154 PolarHBondContact O-N 3.16Å |
| 153 | K | 62.6 | Low | 77.4 | Confident | 222 Ų | 222 | 97.8 Ų | 97.8 | 97% | 0.965 | 51% | 0.509 | S | S | * | . | trans | -62.7 | 93.3 | 168.9 | -73.3 | -175.2 | -178.4 | 173.8 | 0 | 108.2 | ||||
| 154 | Q | 70.4 | Confident | 76.2 | Confident | 126 Ų | 126 | 104.1 Ų | 104.1 | 59% | 0.589 | 54% | 0.542 | S | S | * | . | trans | -113.4 | 126.7 | -177.7 | -164.4 | 177.9 | 14.1 | 0 | 0 | 109.2 | K152 Q156 | K152-Q154 VanDerWaalsContact C-N 3.28Å; K152-Q154 PolarHBondContact O-N 3.16Å; Q154-Q156 HydrophobicContact CG-CG 4.03Å; Q154-Q156 PolarHBondContact O-N 2.71Å | ||
| 155 | F | 75.2 | Confident | 74.9 | Confident | 69 Ų | 69 | 103.6 Ų | 103.6 | 30% | 0.303 | 55% | 0.546 | S | S | . | . | trans | -76.8 | 109.8 | 165.4 | 177 | -89.7 | 0 | 0 | 0 | 107.3 | D91 L93 K104 K157 | D91-F155 HydrophobicContact CB-CD2 3.63Å; D91-F155 HydrophobicContact CB-CE2 3.56Å; D91-F155 HydrophobicContact CB-CZ 4.44Å; L93-F155 HydrophobicContact CD2-CE1 4.3Å; L93-F155 HydrophobicContact CD2-CZ 3.74Å; L93-F155 HydrophobicContact CG-CZ 4.08Å; K104-F155 HydrophobicContact CB-CE2 3.98Å; K104-F155 HydrophobicContact CD-CD2 3.92Å; K104-F155 HydrophobicContact CD-CE2 3.87Å; K104-F155 HydrophobicContact CD-CG 4.29Å; K104-F155 HydrophobicContact CD-CZ 4.24Å; K104-F155 HydrophobicContact CG-CD2 4.3Å; K104-F155 HydrophobicContact CG-CE2 3.73Å; K104-F155 HydrophobicContact CG-CZ 3.94Å; F155-K157 HydrophobicContact CE1-CB 4.16Å | ||
| 156 | Q | 75.4 | Confident | 73.4 | Confident | 72 Ų | 72 | 108.9 Ų | 108.9 | 34% | 0.336 | 57% | 0.572 | S | S | . | * | trans | -110.1 | 120.9 | 168.4 | -67.3 | -171.1 | 0.3 | 0 | 0 | 107.7 | Q154 F158 | Q154-Q156 HydrophobicContact CG-CG 4.03Å; Q154-Q156 PolarHBondContact O-N 2.71Å; Q156-F158 PolarHBondContact O-N 3.46Å | ||
| 157 | K | 75.5 | Confident | 71.9 | Confident | 147 Ų | 147 | 113.2 Ų | 113.2 | 64% | 0.639 | 59% | 0.59 | S | S | * | * | trans | -68.8 | 123.8 | 176.4 | -179.7 | -175.9 | 174.8 | -172.8 | 0 | 108.1 | L93 F155 | L93-K157 HydrophobicContact CD1-CD 4.02Å; F155-K157 HydrophobicContact CE1-CB 4.16Å | ||
| 158 | F | 66.2 | Low | 70.2 | Confident | 100 Ų | 100 | 113.4 Ų | 113.4 | 44% | 0.439 | 60% | 0.6 | S | S | . | * | trans | -91 | 0 | 162.5 | -71 | -81.3 | 0 | 0 | 0 | 111.3 | V76 D91 I125 Q156 | V76-F158 HydrophobicContact CG2-CE2 4.17Å; V76-F158 HydrophobicContact CG2-CZ 4.21Å; D91-F158 PolarHBondContact O-N 2.72Å; I125-F158 HydrophobicContact CG2-CE1 4.41Å; I125-F158 HydrophobicContact CG2-CZ 4.36Å; Q156-F158 PolarHBondContact O-N 3.46Å |
Retrieved 158 of 158 residues in 1073.3 ms
(Link to these results)